"keyword","repo_name","file_path","file_extension","file_size","line_count","content","language" "Codon","LKremer/MSA_trimmer","alignment_trimmer.py",".py","9112","221","#!/usr/bin/env python3 from __future__ import division, print_function from Bio import SeqIO from Bio.Seq import Seq from Bio.SeqRecord import SeqRecord from Bio.Alphabet import SingleLetterAlphabet import argparse import os def gap_proportion(msa_column): gap_counter = 0 for aa_or_codon in msa_column: if aa_or_codon in ('-', '---'): gap_counter += 1 return gap_counter / len(msa_column) class Alignment(): def __init__(self, alignment_fasta, maxgap, trim_positions, mask, is_cds=False): self._is_cds = is_cds self._letter_n = 3 if is_cds else 1 self._maxgap = maxgap self._fasta = [] self._trimmed_fasta = [] with open(alignment_fasta, 'r') as input_handle: for fasta_record in SeqIO.parse(input_handle, 'fasta'): self._fasta.append(fasta_record) self._trimmed_fasta.append([]) self._first_seq = self._fasta[0] self._assert_fasta_is_aligned() self._set_mask_char(mask) self._parse_trim_positions(trim_positions) fname, fextension = os.path.splitext(alignment_fasta) self._output_filepath = '{}_{}{}'.format( fname, ""masked"" if self._mask_char else ""trimmed"", fextension, ) return def _parse_trim_positions(self, trim_pos_list): self._trim_positions = set() if trim_pos_list: for trim_pos in trim_pos_list: if '-' in trim_pos: # it's a range! start_raw, stop_raw = trim_pos.split('-') start = int(start_raw) - 1 stop = int(stop_raw) if start >= stop: raise Exception('Invalid range:', trim_pos) self._trim_positions |= set(range(start, stop)) else: pos = self._str_to_pos(trim_pos) self._trim_positions.add(pos) return def _str_to_pos(self, pos_str): try: pos = int(pos_str) - 1 # account for zero-indexing except ValueError: raise Exception(pos_str, 'is not a valid position!') self[pos] # raises IndexError when pos is out of range of the MSA return pos def _set_mask_char(self, mask_param): if mask_param: if len(mask_param) != 1: raise Exception('Invalid --mask character:', mask_param) self._mask_char = mask_param * self._letter_n else: self._mask_char = False return def _assert_fasta_is_aligned(self): for fa_entry in self._fasta[1:]: if len(fa_entry) != len(self._first_seq): raise Exception('The sequences {} and {} have different ' 'lengths. Is your fasta really aligned' '?'.format(fa_entry.id, self._first_seq.id)) return def __getitem__(self, i): ''' returns the n-th column of the multifasta, works for CDS and protein fastas ''' n = self._letter_n # the number of characters per position # three for CDS sequences (codons), one for protein sequences start = i * n end = start + n if start < 0 or end > len(self._first_seq): raise IndexError('Cannot access MSA position {} - index out ' 'of range'.format(i)) return tuple(str(fa.seq[start:end]) for fa in self._fasta) def __iter__(self): ''' column-based iteration over MSA fasta, works for CDS and protein fastas ''' for i in range(int(len(self._first_seq) / self._letter_n)): yield self[i] def _trim_column(self, msa_column, col_index): ''' trim an MSA column if the number of gaps exceeds the user-specified threshold, or if it is within the user-specified trim-range ''' col_str = ' '.join(msa_column) gap_prop = gap_proportion(msa_column) if (col_index in self._trim_positions) or (gap_prop > self._maxgap): if self._mask_char: action = ' - masked' else: action = ' - trimmed' trim_column = True else: action = '' trim_column = False for row_i, aa_or_codon in enumerate(msa_column): if trim_column: # trim (or mask) the column if self._mask_char: # mask it self._trimmed_fasta[row_i].append(self._mask_char) else: # don't add the column at all break else: # keep the column as it was self._trimmed_fasta[row_i].append(aa_or_codon) print('{: >3} {} ({:.1%} gaps){}'.format( col_index + 1, col_str, gap_prop, action)) return def _trim_fasta(self): for col_index, msa_column in enumerate(self): self._trim_column(msa_column, col_index) self._trimmed_seqs = [] for i, trimmed_seq_list in enumerate(self._trimmed_fasta): trimmed_seq = ''.join(trimmed_seq_list) input_seq = self._fasta[i] out_record = SeqRecord( Seq(trimmed_seq, SingleLetterAlphabet), id=input_seq.id, description=input_seq.description ) self._trimmed_seqs.append(out_record) def dump_trimmed_fasta(self): self._trim_fasta() SeqIO.write(self._trimmed_seqs, self._output_filepath, 'fasta') if self._mask_char: print(' Wrote ""{}""-masked fasta to {}\n'.format( self._mask_char, self._output_filepath)) else: print(' Wrote trimmed fasta to {}\n'.format(self._output_filepath)) return def __eq__(self, other): """""" defines an equality test with the == operator returns False when a position of one alignment is a gap when it isn't a gap in the other alignment """""" for col_i, self_column in enumerate(self): other_column = other[col_i] for row_i, aa_or_codon in enumerate(self_column): if aa_or_codon in ('-', '---'): if other_column[row_i] not in ('-', '---'): print('\nCodon mismatch in row {} column {}' '\n""{}"" does not match ""{}""\n'.format( row_i, col_i, aa_or_codon, other_column[row_i])) return False return True def __ne__(self, other): """""" defines a non-equality test with the != operator """""" return not self.__eq__(other) def main(pep_alignment_fasta, cds_alignment_fasta, trim_gappy, trim_positions, mask): if pep_alignment_fasta: pep_al = Alignment(pep_alignment_fasta, maxgap=trim_gappy, mask=mask, trim_positions=trim_positions) pep_al.dump_trimmed_fasta() if cds_alignment_fasta: cds_al = Alignment(cds_alignment_fasta, maxgap=trim_gappy, mask=mask, trim_positions=trim_positions, is_cds=True) if pep_alignment_fasta and cds_alignment_fasta: if pep_al != cds_al: raise Exception('The two alignments have a mismatch' '- see printouts above.') else: print('Peptide and CDS alignment are in agreement!\n') cds_al.dump_trimmed_fasta() return if __name__ == '__main__': parser = argparse.ArgumentParser( description='A program to remove (trim) or mask columns of fasta ' 'multiple sequence alignments. Columns are removed if they exceed a ' 'user-specified ""gappyness"" treshold, and/or if they are specified by ' 'column index. Also works for codon alignments. The trimmed alignment ' 'is written to [your_alignment]_trimmed.fa') parser.add_argument('-p', '--pep_alignment_fasta') parser.add_argument('-c', '--cds_alignment_fasta') parser.add_argument('--trim_gappy', type=float, default=9999, help='the maximum allowed gap proportion for an MSA ' 'column, all columns with a higher proportion of gaps ' 'will be trimmed (default: off)') parser.add_argument('--trim_positions', help='specify columns to be ' 'trimmed from the alignment, e.g. ""1-10 42"" to trim the ' 'first ten columns and the 42th column', nargs='+') parser.add_argument('--mask', default=False, const='-', action='store', nargs='?', help='mask the alignment ' 'instead of trimming. if a character is specified after' ' --mask, that character will be used for masking ' '(default char: ""-"")') args = parser.parse_args() if args.pep_alignment_fasta or args.cds_alignment_fasta: main(**vars(args)) else: parser.print_help() ","Python" "Codon","adelq/dnds","setup.py",".py","1034","30","from setuptools import setup package = 'dnds' version = '2.1' setup( name=package, version=version, description=""Calculate dN/dS ratio precisely (Ka/Ks) using a codon-by-codon counting method."", long_description=open(""README.rst"").read(), author=""Adel Qalieh"", author_email=""adelq@med.umich.edu"", url=""https://github.com/adelq/dnds"", license=""MIT"", py_modules=['dnds', 'codons'], classifiers=[ 'Development Status :: 5 - Production/Stable', 'Intended Audience :: Science/Research', 'License :: OSI Approved :: MIT License', 'Natural Language :: English', 'Operating System :: OS Independent', 'Programming Language :: Python :: 2', 'Programming Language :: Python :: 2.7', 'Programming Language :: Python :: 3', 'Programming Language :: Python :: 3.4', 'Programming Language :: Python :: 3.5', 'Programming Language :: Python :: 3.6', 'Topic :: Scientific/Engineering :: Bio-Informatics', ]) ","Python" "Codon","adelq/dnds","test_dnds.py",".py","3156","97","from __future__ import division from fractions import Fraction from nose.tools import assert_equal, assert_almost_equal from dnds import dnds, pnps, substitutions, dnds_codon, dnds_codon_pair, syn_sum, translate # From Canvas practice problem TEST_SEQ1 = 'ACTCCGAACGGGGCGTTAGAGTTGAAACCCGTTAGA' TEST_SEQ2 = 'ACGCCGATCGGCGCGATAGGGTTCAAGCTCGTACGA' # From in-class problem set TEST_SEQ3 = 'ATGCTTTTGAAATCGATCGTTCGTTCACATCGATGGATC' TEST_SEQ4 = 'ATGCGTTCGAAGTCGATCGATCGCTCAGATCGATCGATC' # From http://bioinformatics.cvr.ac.uk/blog/calculating-dnds-for-ngs-datasets/ TEST_SEQ5 = 'ATGAAACCCGGGTTTTAA' TEST_SEQ6 = 'ATGAAACGCGGCTACTAA' def test_translate(): assert_equal(translate(TEST_SEQ1), 'TPNGALELKPVR') assert_equal(translate(TEST_SEQ2), 'TPIGAIGFKLVR') assert_equal(translate(TEST_SEQ3), 'MLLKSIVRSHRWI') def test_dnds_codon_easy(): assert_equal([0, 0, 1], dnds_codon('ACC')) def test_dnds_codon_harder1(): assert_equal([0, 0, Fraction(1, 3)], dnds_codon('AAC')) assert_equal([0, 0, Fraction(2, 3)], dnds_codon('ATC')) def test_dnds_codon_harder2(): assert_equal([Fraction(1, 3), 0, Fraction(1, 3)], dnds_codon('AGA')) assert_equal([Fraction(1, 3), 0, 1], dnds_codon('CGA')) def test_dnds_codon_ngs(): assert_equal([0, 0, 0], dnds_codon('TGG')) assert_equal([Fraction(1, 3), 0, 1], dnds_codon('CGG')) def test_dnds_codon_ngs_sums(): assert_equal(sum(dnds_codon('ATG')), 0) assert_equal(sum(dnds_codon('AAA')), Fraction(1, 3)) assert_equal(sum(dnds_codon('CCC')), 1) assert_equal(sum(dnds_codon('GGG')), 1) assert_equal(sum(dnds_codon('TTT')), Fraction(1, 3)) assert_equal(sum(dnds_codon('TAA')), Fraction(2, 3)) def test_dnds_codon_ps(): assert_equal(dnds_codon('CTT'), [0, 0, 1]) assert_equal(dnds_codon('CGT'), [0, 0, 1]) def test_dnds_codon_pair(): assert_equal([Fraction(1, 3), 0, Fraction(2, 3)], dnds_codon_pair('AGA', 'CGA')) def test_dnds_codon_pair_harder1(): assert_equal([Fraction(1, 6), 0, Fraction(1, 3)], dnds_codon_pair('TTG', 'TTC')) def test_dnds_codon_pair_harder2(): assert_equal([Fraction(1, 6), 0, Fraction(1, 2)], dnds_codon_pair('TTA', 'ATA')) def test_syn_sum_ps(): assert_almost_equal(syn_sum(TEST_SEQ3, TEST_SEQ4), 10, delta=1) def test_syn_subs(): assert_equal(substitutions(TEST_SEQ1, TEST_SEQ2), (5, 5)) assert_equal(substitutions(TEST_SEQ3, TEST_SEQ4), (2, 5)) assert_equal(substitutions(""ACCGGA"", ""ACAAGA""), (1, 1)) assert_equal(substitutions(""TGC"", ""TAT""), (1, 1)) assert_equal(substitutions(""ACC"", ""AAA""), (0.5, 1.5)) assert_equal(substitutions(""CCC"", ""AAC""), (0, 2)) def test_pnps(): assert_almost_equal(pnps(TEST_SEQ1, TEST_SEQ2), 0.269, delta=0.1) assert_almost_equal(pnps(TEST_SEQ3, TEST_SEQ4), 0.86, delta=0.1) assert_almost_equal(pnps(TEST_SEQ5, TEST_SEQ6), 0.1364 / 0.6001, delta=1e-4) def test_dnds(): assert_almost_equal(dnds(TEST_SEQ5, TEST_SEQ6), 0.1247, delta=1e-4) # DNDS.pdf - wrong based on email conversation with Sean # # def test_syn_sum(): # assert_close(syn_sum(TEST_SEQ1, TEST_SEQ2), 7.5833) ","Python" "Codon","adelq/dnds","dnds.py",".py","5340","169","""""""dnds This module is a reference implementation of estimating nucleotide substitution neutrality by estimating the percent of synonymous and nonsynonymous mutations. """""" from __future__ import print_function, division from math import log from fractions import Fraction import logging from codons import codons BASES = {'A', 'G', 'T', 'C'} def split_seq(seq, n=3): '''Returns sequence split into chunks of n characters, default is codons''' return [seq[i:i + n] for i in range(0, len(seq), n)] def average_list(l1, l2): """"""Return the average of two lists"""""" return [(i1 + i2) / 2 for i1, i2 in zip(l1, l2)] def dna_to_protein(codon): '''Returns single letter amino acid code for given codon''' return codons[codon] def translate(seq): """"""Translate a DNA sequence into the 1-letter amino acid sequence"""""" return """".join([dna_to_protein(codon) for codon in split_seq(seq)]) def is_synonymous(codon1, codon2): '''Returns boolean whether given codons are synonymous''' return dna_to_protein(codon1) == dna_to_protein(codon2) def dnds_codon(codon): '''Returns list of synonymous counts for a single codon. Calculations done per the methodology taught in class. http://sites.biology.duke.edu/rausher/DNDS.pdf ''' syn_list = [] for i in range(len(codon)): base = codon[i] other_bases = BASES - {base} syn = 0 for new_base in other_bases: new_codon = codon[:i] + new_base + codon[i + 1:] syn += int(is_synonymous(codon, new_codon)) syn_list.append(Fraction(syn, 3)) return syn_list def dnds_codon_pair(codon1, codon2): """"""Get the dN/dS for the given codon pair"""""" return average_list(dnds_codon(codon1), dnds_codon(codon2)) def syn_sum(seq1, seq2): """"""Get the sum of synonymous sites from two DNA sequences"""""" syn = 0 codon_list1 = split_seq(seq1) codon_list2 = split_seq(seq2) for i in range(len(codon_list1)): codon1 = codon_list1[i] codon2 = codon_list2[i] dnds_list = dnds_codon_pair(codon1, codon2) syn += sum(dnds_list) return syn def hamming(s1, s2): """"""Return the hamming distance between 2 DNA sequences"""""" return sum(ch1 != ch2 for ch1, ch2 in zip(s1, s2)) + abs(len(s1) - len(s2)) def codon_subs(codon1, codon2): """"""Returns number of synonymous substitutions in provided codon pair Methodology for multiple substitutions from Dr. Swanson, UWashington https://faculty.washington.edu/wjs18/dnds.ppt """""" diff = hamming(codon1, codon2) if diff < 1: return 0 elif diff == 1: return int(translate(codon1) == translate(codon2)) syn = 0 for i in range(len(codon1)): base1 = codon1[i] base2 = codon2[i] if base1 != base2: new_codon = codon1[:i] + base2 + codon1[i + 1:] syn += int(is_synonymous(codon1, new_codon)) syn += int(is_synonymous(codon2, new_codon)) return syn / diff def substitutions(seq1, seq2): """"""Returns number of synonymous and nonsynonymous substitutions"""""" dna_changes = hamming(seq1, seq2) codon_list1 = split_seq(seq1) codon_list2 = split_seq(seq2) syn = 0 for i in range(len(codon_list1)): codon1 = codon_list1[i] codon2 = codon_list2[i] syn += codon_subs(codon1, codon2) return (syn, dna_changes - syn) def clean_sequence(seq): """"""Clean up provided sequence by removing whitespace."""""" return seq.replace(' ', '') def pnps(seq1, seq2): """"""Main function to calculate pN/pS between two DNA sequences."""""" # Strip any whitespace from both strings seq1 = clean_sequence(seq1) seq2 = clean_sequence(seq2) # Check that both sequences have the same length assert len(seq1) == len(seq2) # Check that sequences are codons assert len(seq1) % 3 == 0 syn_sites = syn_sum(seq1, seq2) non_sites = len(seq1) - syn_sites logging.info('Sites (syn/nonsyn): {}, {}'.format(syn_sites, non_sites)) syn_subs, non_subs = substitutions(seq1, seq2) logging.info('pN: {} / {}\t\tpS: {} / {}' .format(non_subs, round(non_sites), syn_subs, round(syn_sites))) pn = non_subs / non_sites ps = syn_subs / syn_sites return pn / ps def dnds(seq1, seq2): """"""Main function to calculate dN/dS between two DNA sequences per Nei & Gojobori 1986. This includes the per site conversion adapted from Jukes & Cantor 1967. """""" # Strip any whitespace from both strings seq1 = clean_sequence(seq1) seq2 = clean_sequence(seq2) # Check that both sequences have the same length assert len(seq1) == len(seq2) # Check that sequences are codons assert len(seq1) % 3 == 0 syn_sites = syn_sum(seq1, seq2) non_sites = len(seq1) - syn_sites logging.info('Sites (syn/nonsyn): {}, {}'.format(syn_sites, non_sites)) syn_subs, non_subs = substitutions(seq1, seq2) pn = non_subs / non_sites ps = syn_subs / syn_sites dn = -(3 / 4) * log(1 - (4 * pn / 3)) ds = -(3 / 4) * log(1 - (4 * ps / 3)) logging.info('dN: {}\t\tdS: {}'.format(round(dn, 3), round(ds, 3))) return dn / ds if __name__ == '__main__': print(pnps('ACC GTG GGA TGC ACC GGT GTG CCC', 'ACA GTG AGA TAT AAA GGA GAG AAC')) ","Python" "Codon","adelq/dnds","codons.py",".py","1045","67","codons = { ""TTT"": ""F"", ""TTC"": ""F"", ""TTA"": ""L"", ""TTG"": ""L"", ""TCT"": ""S"", ""TCC"": ""S"", ""TCA"": ""S"", ""TCG"": ""S"", ""TAT"": ""Y"", ""TAC"": ""Y"", ""TAA"": ""STOP"", ""TAG"": ""STOP"", ""TGT"": ""C"", ""TGC"": ""C"", ""TGA"": ""STOP"", ""TGG"": ""W"", ""CTT"": ""L"", ""CTC"": ""L"", ""CTA"": ""L"", ""CTG"": ""L"", ""CCT"": ""P"", ""CCC"": ""P"", ""CCA"": ""P"", ""CCG"": ""P"", ""CAT"": ""H"", ""CAC"": ""H"", ""CAA"": ""Q"", ""CAG"": ""Q"", ""CGT"": ""R"", ""CGC"": ""R"", ""CGA"": ""R"", ""CGG"": ""R"", ""ATT"": ""I"", ""ATC"": ""I"", ""ATA"": ""I"", ""ATG"": ""M"", ""ACT"": ""T"", ""ACC"": ""T"", ""ACA"": ""T"", ""ACG"": ""T"", ""AAT"": ""N"", ""AAC"": ""N"", ""AAA"": ""K"", ""AAG"": ""K"", ""AGT"": ""S"", ""AGC"": ""S"", ""AGA"": ""R"", ""AGG"": ""R"", ""GTT"": ""V"", ""GTC"": ""V"", ""GTA"": ""V"", ""GTG"": ""V"", ""GCT"": ""A"", ""GCC"": ""A"", ""GCA"": ""A"", ""GCG"": ""A"", ""GAT"": ""D"", ""GAC"": ""D"", ""GAA"": ""E"", ""GAG"": ""E"", ""GGT"": ""G"", ""GGC"": ""G"", ""GGA"": ""G"", ""GGG"": ""G"" } ","Python" "Codon","veg/hyphy-analyses","SCUEAL-WG/SCUEALfullG.sh",".sh","294","10","#!/bin/sh #module load openmpi-x86_64 module load openmpi-1.10-x86_64 # Run MPI program through Ethernet eth0 mpirun -np 28 /localdisk/software/hyphy/hyphy-2.2.4/HYPHYMPI USEPATH=/dev/null BASEPATH=/localdisk/software/hyphy/lib/hyphy /localdisk/home/PATH_TO_FOLDER_/SCUEALfullG.bf ","Shell" "Codon","veg/hyphy-analyses","molerate/JSON.md",".md","4938","72","# Molerate JSON Schema Description The top-level JSON object contains the following keys: * **`analysis`** (Object): Contains metadata about the analysis performed. * `authors` (String): Name of the author(s). * `contact` (String): Contact email address. * `info` (String): Brief description of the analysis. * `labeling strategy` (String): The strategy used for labeling branches (e.g., ""all-descendants""). * `model` (String): The substitution model used (e.g., ""WAG""). * `rate variation` (String): The model used for rate variation across sites (e.g., ""GDD""). * `requirements` (String): Description of the input data required. * `version` (String): Version of the analysis tool. * **`branch attributes`** (Object): Contains attributes for phylogenetic branches, grouped by partition (e.g., ""0"") and model. * `` (Object, e.g., ""0""): Represents a data partition. * `` (Object, e.g., ""HLacaPus1"", ""Node1""): Represents a specific branch in the tree. * `Proportional` (Number): Estimated branch length for the Proportional model. * `Proportional Partitioned` (Number): Estimated branch length for the Proportional Partitioned model. * `Reference` (Number): Branch length from the reference tree. * `Unconstrained Test` (Number): Estimated branch length for the Unconstrained Test model. * *( Potentially other model names as keys with numeric values )* * `attributes` (Object): Defines metadata for the models listed under branch names. * `` (Object, e.g., ""Proportional""): * `attribute type` (String): Type of attribute (e.g., ""branch length""). * `display order` (Number): Suggested order for displaying this model's results. * **`branch level analysis`** (Object): Contains detailed likelihood ratio test results for individual branches designated as 'test'. * `` (Object, e.g., ""HLamaAes1""): Represents a specific 'test' branch. * `LogL` (Number): Log-likelihood for the `Proportional+1` model at this branch. * `alternative` (Object): `Proportional+1` vs `Unconstrained Test` * `Corrected P-value` (Number): Corrected (Holm-Bonferroni) p-value. * `LRT` (Number): Likelihood Ratio Test statistic. * `p-value` (Number): Uncorrected p-value. * `null` (Object): `Proportional` vs `Proportional+1` * `Corrected P-value` (Number): orrected (Holm-Bonferroni) p-value. * `LRT` (Number): Likelihood Ratio Test statistic. * `p-value` (Number): Uncorrected p-value. * **`fits`** (Object): Contains details about the statistical fit of each evolutionary model tested. * `` (Object, e.g., ""Proportional"", ""Unconstrained Test""): * `AIC-c` (Number): Corrected Akaike Information Criterion value. * `Log Likelihood` (Number): Log-likelihood value for the model fit. * `Rate Distributions` (Object): Parameters related to site rate variation. * *( Keys vary based on the rate variation model, e.g., GDD category rates, mixture weights, branch scalers )* (Number) * `display order` (Number): Suggested order for displaying this model's fit results. * `estimated parameters` (Number): Number of parameters estimated for this model. * **`input`** (Object): Describes the input data used for the analysis. * `file name` (String): Path to the input alignment file. * `number of sequences` (Number): Count of sequences in the alignment. * `number of sites` (Number): Count of sites (columns) in the alignment. * `partition count` (Number): Number of data partitions (usually 0 or 1 if not partitioned). * `trees` (Object): Contains the input tree structure(s). * `` (String, e.g., ""0""): Tree structure in Newick format string. * **`runtime`** (String): Version of `HyPhy` used to execute the analysis. * **`test results`** (Object): Contains results of Likelihood Ratio Tests comparing pairs of nested models. * `` (Object, e.g., ""Proportional Partitioned:Unconstrained Test""): Represents a comparison between two models (Null:Alternative). * `Corrected P-value` (Number): Corrected (Holm-Bonferroni) p-value for the comparison. * `LRT` (Number): Likelihood Ratio Test statistic. * `Uncorrected P-value` (Number): Uncorrected p-value. * **`tested`** (Object): Maps each branch name from the input tree to its classification in the analysis. * `` (String, e.g., ""HLacaPus1""): Value is either ""test"" or ""background"". * **`timers`** (Object): Records the time duration for specific parts of the analysis. * `` (Object, e.g., ""Overall"", ""Proportional""): * `order` (Number): Order index for the component. * `timer` (Number): Time duration in seconds.","Markdown" "Codon","Ensembl/ensembl-compara","setup.py",".py","776","22","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""setuptools-based stub for editable installs"""""" from setuptools import setup if __name__ == ""__main__"": setup() ","Python" "Codon","Ensembl/ensembl-compara","pull_request_template.md",".md","521","26","## Description _Describe the problem you're addressing here._ **Related JIRA tickets:** - ENSCOMPARASW-XXXX ## Overview of changes _Give details of what changes were required to solve the problem. Break into sections if applicable._ #### Change 1 - _detail 1.1_ #### Change 2 - _detail 2.1_ ## Testing _How was this tested? Have new unit tests been included?_ ## Notes _Optional extra information._ --- For code reviewers: [code review SOP](https://www.ebi.ac.uk/seqdb/confluence/display/EnsCom/Code+review+SOP) ","Markdown" "Codon","Ensembl/ensembl-compara","run_all_tests.sh",".sh","1573","32","#!/bin/bash # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. set -euxo pipefail cd ""$ENSEMBL_ROOT_DIR"" prove -r ensembl-compara/travisci/all-housekeeping/ prove -r ensembl-compara/travisci/sql-unittest/ ensembl-test/scripts/runtests.pl ensembl-compara/modules/t ensembl-test/scripts/runtests.pl ensembl/modules/t/compara.t ensembl-test/scripts/runtests.pl ensembl-rest/t/genomic_alignment.t ensembl-rest/t/info.t ensembl-rest/t/taxonomy.t ensembl-rest/t/homology.t ensembl-rest/t/gene_tree.t ensembl-rest/t/cafe_tree.t ensembl-rest/t/family.t cd ""$ENSEMBL_ROOT_DIR/ensembl-compara"" ./travisci/perl-linter_harness.sh find docs modules scripts sql travisci -iname '*.t' -print0 | xargs -0 -n 1 perl -c find docs modules scripts sql travisci -iname '*.pl' -print0 | xargs -0 -n 1 perl -c find docs modules scripts sql travisci -iname '*.pm' \! -name 'LoadSynonyms.pm' \! -name 'HALAdaptor.pm' \! -name 'HALXS.pm' -print0 | xargs -0 -n 1 perl -c echo ""All good !"" ","Shell" "Codon","Ensembl/ensembl-compara","DEPRECATED.md",".md","2457","87","> This file contains the list of methods deprecated in the Ensembl Compara > API. A method is deprecated when it is not functional any more > (schema/data change) or has been replaced by a better one. Backwards > compatibility is provided whenever possible. When a method is > deprecated, a deprecation warning is thrown whenever the method is used. > The warning also contains instructions on replacing the deprecated method > and when it will be removed. ---- # Deprecated methods scheduled for deletion ## Ensembl 116 * `Bio::EnsEMBL::Compara::Utils::MasterDatabase::find_overlapping_genome_db_ids` # Deprecated methods not yet scheduled for deletion * `AlignedMember::get_cigar_array()` * `AlignedMember::get_cigar_breakout()` * `GenomicAlignTree::genomic_align_array()` * `GenomicAlignTree::get_all_GenomicAligns()` * `Homology::dn()` * `Homology::dnds_ratio()` * `Homology::ds()` * `Homology::lnl()` * `Homology::n()` * `Homology::s()` * `Homology::threshold_on_ds()` * `HomologyAdaptor::update_genetic_distance()` # Methods removed in previous versions of Ensembl ## Ensembl 110 * `DBSQL::'*MemberAdaptor::fetch_by_stable_id()` ## Ensembl 100 * `DBSQL::'*MemberAdaptor::get_source_taxon_count()` ## Ensembl 98 * `DBSQL::DnaFragAdaptor::fetch_all_by_GenomeDB_region()` ## Ensembl 96 * `AlignSlice::Slice::get_all_VariationFeatures_by_VariationSet` * `AlignSlice::Slice::get_all_genotyped_VariationFeatures` * `Taggable::get_value_for_XXX()` * `Taggable::get_all_values_for_XXX()` * `Taggable::get_XXX_value()` ## Ensembl 93 * `DnaFrag::isMT()` * `DnaFrag::dna_type()` * `MethodLinkSpeciesSet::species_set_obj()` ## Ensembl 92 * `Member::print_member()` * `SyntenyRegion::regions()` ## Ensembl 91 * `Homology::print_homology()` * `MethodLinkSpeciesSet::get_common_classification()` * `NCBITaxon::binomial()` * `NCBITaxon::ensembl_alias_name()` * `NCBITaxon::common_name()` * `DnaFragAdaptor::is_already_stored()` * `GeneMemberAdaptor::fetch_all_by_source_Iterator()` * `GeneMemberAdaptor::fetch_all_Iterator()` * `GeneMemberAdaptor::load_all_from_seq_members()` * `GenomeDBAdaptor::fetch_all_by_low_coverage()` * `GenomeDBAdaptor::fetch_all_by_taxon_id_assembly()` * `GenomeDBAdaptor::fetch_by_taxon_id()` * `SeqMemberAdaptor::fetch_all_by_source_Iterator()` * `SeqMemberAdaptor::fetch_all_Iterator()` * `SeqMemberAdaptor::update_sequence()` * `SequenceAdaptor::fetch_by_dbIDs()` ## Ensembl 89 * `SpeciesTree::species_tree()` ","Markdown" "Codon","Ensembl/ensembl-compara","conftest.py",".py","3680","88","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Local directory-specific hook implementations. Since this file is located at the root of all ensembl-compara tests, every test in every subfolder will have access to the plugins, hooks and fixtures defined here. """""" # Disable all the redefined-outer-name violations due to how pytest fixtures work # pylint: disable=redefined-outer-name import os from pathlib import Path import shutil import time import pytest from _pytest.fixtures import FixtureRequest from ensembl.compara.filesys import DirCmp pytest_plugins = (""ensembl.utils.plugin"",) def pytest_configure() -> None: """"""Adds global variables and configuration attributes required by Compara's unit tests. `Pytest initialisation hook `_. """""" test_data_dir = Path(__file__).parent / 'src' / 'test_data' pytest.dbs_dir = test_data_dir / 'databases' # type: ignore[attr-defined] pytest.files_dir = test_data_dir / 'flatfiles' # type: ignore[attr-defined] @pytest.fixture(scope=""session"") def dir_cmp(request: FixtureRequest, tmp_path_factory: pytest.TempPathFactory) -> DirCmp: """"""Returns a directory tree comparison (:class:`DirCmp`) object. Requires a dictionary with the following keys: ref (:obj:`PathLike`): Reference root directory path. target (:obj:`PathLike`): Target root directory path. passed via `request.param`. In both cases, if a relative path is provided, the starting folder will be ``src/python/tests/flatfiles``. This fixture is intended to be used via indirect parametrization, for example:: @pytest.mark.parametrize(""dir_cmp"", [{'ref': 'citest/reference', 'target': 'citest/target'}], indirect=True) def test_method(..., dir_cmp: DirCmp, ...): Args: request: Access to the requesting test context. tmp_path_factory: Temporary directory path factory fixture. """""" tmp_path = tmp_path_factory.mktemp(""dir_cmp_root"") # Get the source and temporary absolute paths for reference and target root directories ref = Path(request.param['ref']) # type: ignore[attr-defined] ref_src = ref if ref.is_absolute() else pytest.files_dir / ref # type: ignore ref_tmp = tmp_path / str(ref).replace(os.path.sep, '_') target = Path(request.param['target']) # type: ignore[attr-defined] target_src = target if target.is_absolute() else pytest.files_dir / target # type: ignore target_tmp = tmp_path / str(target).replace(os.path.sep, '_') # Copy directory trees (if they have not been copied already) ignoring file metadata if not ref_tmp.exists(): shutil.copytree(ref_src, ref_tmp, copy_function=shutil.copy) # Sleep one second in between to ensure the timestamp differs between reference and target files time.sleep(1) if not target_tmp.exists(): shutil.copytree(target_src, target_tmp, copy_function=shutil.copy) return DirCmp(ref_tmp, target_tmp) ","Python" "Codon","Ensembl/ensembl-compara","modules/Bio/EnsEMBL/Compara/HAL/HALXS/INLINE.h",".h","1732","44","/* * See the NOTICE file distributed with this work for additional information * regarding copyright ownership. * * Licensed under the Apache License, Version 2.0 (the ""License""); * you may not use this file except in compliance with the License. * You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicable law or agreed to in writing, software * distributed under the License is distributed on an ""AS IS"" BASIS, * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. * See the License for the specific language governing permissions and * limitations under the License. */ #define Inline_Stack_Vars dXSARGS #define Inline_Stack_Items items #define Inline_Stack_Item(x) ST(x) #define Inline_Stack_Reset sp = mark #define Inline_Stack_Push(x) XPUSHs(x) #define Inline_Stack_Done PUTBACK #define Inline_Stack_Return(x) XSRETURN(x) #define Inline_Stack_Void XSRETURN(0) #define INLINE_STACK_VARS Inline_Stack_Vars #define INLINE_STACK_ITEMS Inline_Stack_Items #define INLINE_STACK_ITEM(x) Inline_Stack_Item(x) #define INLINE_STACK_RESET Inline_Stack_Reset #define INLINE_STACK_PUSH(x) Inline_Stack_Push(x) #define INLINE_STACK_DONE Inline_Stack_Done #define INLINE_STACK_RETURN(x) Inline_Stack_Return(x) #define INLINE_STACK_VOID Inline_Stack_Void #define inline_stack_vars Inline_Stack_Vars #define inline_stack_items Inline_Stack_Items #define inline_stack_item(x) Inline_Stack_Item(x) #define inline_stack_reset Inline_Stack_Reset #define inline_stack_push(x) Inline_Stack_Push(x) #define inline_stack_done Inline_Stack_Done #define inline_stack_return(x) Inline_Stack_Return(x) #define inline_stack_void Inline_Stack_Void ","Unknown" "Codon","Ensembl/ensembl-compara","pipelines/SpeciesTreeFromBusco/scripts/fix_leaf_names.py",".py","1811","58","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """""" Replace leaf names in a species tree with production name. Example: $ python fix_leaf_names.py -t astral_species_tree_neutral_bl.nwk -c input_genomes.csv -o test.nwk """""" import sys import argparse from os import path from Bio import Phylo import pandas as pd # Parse command line arguments: parser = argparse.ArgumentParser( description='Replace leafs of a species tree with production names.') parser.add_argument( '-t', metavar='tree', type=str, help=""Input tree."", required=True, default=None) parser.add_argument( '-c', metavar='csv', type=str, help=""Input CSV."", required=True, default=None) parser.add_argument( '-o', metavar='output', type=str, help=""Output tree."", required=True) if __name__ == '__main__': args = parser.parse_args() df = pd.read_csv(args.c, delimiter=""\t"", header=None) trans_map = {} for r in df.itertuples(): trans_map[r[10]] = r[2] tree = Phylo.read(args.t, format=""newick"") for leaf in tree.get_terminals(): leaf.name = trans_map[leaf.name] Phylo.write( trees=tree, file=args.o, format=""newick"" ) ","Python" "Codon","Ensembl/ensembl-compara","pipelines/SpeciesTreeFromBusco/scripts/pick_third_site.py",".py","1845","59","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """""" Pick out every third site from a codon alignment. The input sequences must have a length divisible by 3. Example: $ python pick_third_site.py -i input.fas -o output.fas """""" import sys import argparse from collections import OrderedDict import pandas as pd from Bio import SeqIO # Parse command line arguments: parser = argparse.ArgumentParser( description='Pick out the third sites from a codon alignment.') parser.add_argument( '-i', metavar='input', type=str, help=""Input fasta."", required=True) parser.add_argument( '-o', metavar='output', type=str, help=""Output fasta."", required=True) if __name__ == '__main__': args = parser.parse_args() fh = open(args.o, ""w"") for record in SeqIO.parse(args.i, ""fasta""): # Check if sequence length is divisible by 3: if len(record.seq) % 3 != 0: sys.stderr.write(f""The length of sequence {record.id} is not divisible by 3!\n"") sys.exit(1) # Pick out every third site: print(len(record.seq)) record.seq = record.seq[2::3] # Write out record: SeqIO.write(record, fh, ""fasta"") fh.flush() fh.close() ","Python" "Codon","Ensembl/ensembl-compara","pipelines/SpeciesTreeFromBusco/scripts/fetch_genomes_from_db.py",".py","4595","120","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """""" Locate genome dumps of a collection or a species set on disk. Example: $ python fetch_genomes_from_db.py -u mysql://ensro@mysql-ens-compara-prod-1:4485/ensembl_compara_master -c pig_breeds -o test.tsv -d /hps/nobackup/flicek/ensembl/compara/shared/genome_dumps/vertebrates """""" import sys import argparse import csv from os import path from sqlalchemy.engine.row import Row from sqlalchemy import create_engine, text # Parse command line arguments: parser = argparse.ArgumentParser( description='Locate genomes of a species set/collection in the dump directory.') parser.add_argument('-u', metavar='db_URL', type=str, help=""Compara master db URL."", required=True) parser.add_argument( '-d', metavar='dump_dir', type=str, help=""Genome dump directory."", required=True) parser.add_argument( '-s', metavar='ssid', type=str, help=""Species set id."", required=False, default=None) parser.add_argument( '-c', metavar='cid', type=str, help=""Collection id."", required=False, default=None) parser.add_argument( '-o', metavar='output', type=str, help=""Output CSV."", required=True) def _dir_revhash(gid: int) -> str: """"""Build directory hash from genome db id."""""" dir_hash = list(reversed(str(gid))) dir_hash.pop() return path.join(*dir_hash) if dir_hash else path.curdir def _build_dump_path(row: Row) -> str: gcomp = """" if row.genome_component is not None: gcomp = f""comp{row.genome_component}."" gpath = path.join(args.d, _dir_revhash(row.genome_db_id), f""{row.name}.{row.assembly}.{gcomp}soft.fa"") return gpath if __name__ == '__main__': args = parser.parse_args() db_url = args.u ss_id = args.s if ss_id == """": ss_id = None coll_id = args.c if coll_id == """": coll_id = None engine = create_engine(db_url, future=True) if ss_id is None and coll_id is None: sys.stderr.write(""Either a collection name or a species set id must be specified!\n"") sys.exit(1) if ss_id is not None and coll_id is not None: sys.stderr.write(""Specify either a collection name or a species set id!\n"") sys.exit(1) ss_query = f"""""" SELECT genome_db_id, genome_db.name, assembly, genebuild, strain_name, display_name, genome_component FROM species_set JOIN genome_db USING(genome_db_id) WHERE species_set_id = {ss_id}; """""" c_query = f"""""" SELECT genome_db_id, genome_db.name, assembly, genebuild, strain_name, display_name, genome_component FROM species_set_header JOIN species_set USING(species_set_id) JOIN genome_db USING(genome_db_id) WHERE species_set_header.name='{coll_id}' AND species_set_header.last_release is NULL AND species_set_header.first_release IS NOT NULL; """""" query = ss_query if coll_id is not None: query = c_query missing_fas = [] with engine.connect() as conn, open(args.o, ""w"") as ofh: result = conn.execute(text(query)) writer = csv.writer(ofh, delimiter=""\t"", lineterminator=""\n"") for row in result: gpath = _build_dump_path(row) fa_name = str(row.name) + ""_"" + str(row.assembly) prod_name = row.name if row.genome_component is not None: fa_name += f""_{row.genome_component}"" prod_name += f""_{row.genome_component}"" dump_exists = path.exists(gpath) if not dump_exists: missing_fas.append(gpath) writer.writerow([row.genome_db_id, prod_name, row.assembly, row.genebuild, row.strain_name, row.display_name, row.genome_component, gpath, dump_exists, fa_name]) if len(missing_fas) > 0: sys.stderr.write(""Fatal error! The following genome dumps are missing:\n"") for p in missing_fas: sys.stderr.write(f""{p}\n"") sys.exit(1) ","Python" "Codon","Ensembl/ensembl-compara","pipelines/SpeciesTreeFromBusco/scripts/filter_for_longest_busco.py",".py","3005","95","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """""" Script for filtering for the longest protein isoform per gene. Example: $ python filter_for_longest_busco.py -i input.fas -o output.fas -l output.genes.tsv """""" import sys import argparse import re from Bio import SeqIO # Parse command line arguments: parser = argparse.ArgumentParser( description='Filter for longest BUSCO isoform.') parser.add_argument( '-i', metavar='input', type=str, help=""Input fasta."", required=True) parser.add_argument( '-o', metavar='output', type=str, help=""Output fasta."", default=""filtered_busco.fas"", required=True) parser.add_argument( '-l', metavar='output', type=str, help=""List of BUSCO genes."", required=True) parser.add_argument( '-r', metavar='rep_filter', type=int, help=""Filter out seqeunces with repeats longer than this."", required=False, default=None) parser.add_argument( '-f', metavar='rep_out', type=str, help=""Fasta of filtered out sequences."", default=""repetitive_busco.fas"", required=False) if __name__ == '__main__': args = parser.parse_args() db = {} with open(args.i) as handle: for record in SeqIO.parse(handle, ""fasta""): gene = record.id.split(""_"")[0] if gene not in db: db[gene] = record elif len(record.seq) > len(db[gene].seq): db[gene] = record if len(db) == 0: sys.stderr.write(""Empty BUSCO gene set!\n"") sys.exit(1) i = 0 repetitive = {} for k, v in list(db.items()): seq = str(v.seq) if args.r is not None: rg = f""([A-Za-z]+?)\\1{{{args.r},}}"" res = re.search(rg, seq) if res: repetitive[k] = v del db[k] else: v.id = f""g{i}"" v.description = """" i += 1 else: v.id = f""g{i}"" v.description = """" i += 1 with open(args.o, ""w"") as output_handle: SeqIO.write(db.values(), output_handle, ""fasta"") with open(args.f, ""w"") as output_handle: SeqIO.write(repetitive.values(), output_handle, ""fasta"") with open(args.l, ""w"") as oh: oh.write(""Gene\tGeneId\n"") for gene, rec in db.items(): gid = rec.id oh.write(f""{gene}\t{gid}\n"") ","Python" "Codon","Ensembl/ensembl-compara","pipelines/SpeciesTreeFromBusco/scripts/collate_busco_results.py",".py","5029","141","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """""" Script for collating per-genome BUSCO cDNA results. Example: $ python collate_busco_results.py --input input.fofn --genes busco_genes.txt \ --output per_busco_genes --stats output_stats.tsv --taxa taxa.tsv """""" import sys import argparse from collections import defaultdict, OrderedDict from os import path from typing import Dict, List, Tuple import pandas as pd from Bio import SeqIO from Bio.SeqRecord import SeqRecord # Parse command line arguments: parser = argparse.ArgumentParser( description='Collate BUSCO results and build per-gene fasta files.') parser.add_argument( '-i', metavar='input', type=str, help=""Input fofn."", required=True) parser.add_argument( '-l', metavar='genes', type=str, help=""List of busco genes."", required=True) parser.add_argument( '-o', metavar='output', type=str, help=""Output directory."", required=True) parser.add_argument( '-s', metavar='stats', type=str, help=""Output stats TSV."", required=True) parser.add_argument( '-t', metavar='taxa', type=str, help=""Output taxa TSV."", required=True) parser.add_argument( '-m', metavar='min_taxa', type=float, help=""Minimum fraction of taxa."", required=True) def load_sequences(infile: str) -> Tuple[Dict[str, List[SeqRecord]], int]: """""" Load sequences from fasta files and filter out duplicates. """""" lgenes = defaultdict(list) with open(infile) as handle: for record in SeqIO.parse(handle, ""fasta""): gene = str(record.id).split(""_"", maxsplit=1)[0] lgenes[gene].append(record) filtered = {} lduplicates = 0 for gene, records in lgenes.items(): if len(records) > 1: lduplicates += 1 else: filtered[gene] = records[0] return filtered, lduplicates if __name__ == '__main__': args = parser.parse_args() all_genes = pd.read_csv(args.l, sep=""\t"") with open(args.i) as x: seq_files = [y.strip() for y in x.readlines()] if len(seq_files) == 0: sys.stderr.write(""No input cDNA files specified in the fofn file!\n"") sys.exit(1) taxa = [] dups = [] usable = [] per_gene = defaultdict(list) for seq_file in seq_files: genes, duplicates = load_sequences(seq_file) taxon = path.basename(seq_file) for g, s in genes.items(): s.id = taxon # type: ignore s.description = """" # type: ignore per_gene[g].append(s) taxa.append(taxon) dups.append(duplicates) usable.append(len(genes)) stat_data = OrderedDict( [('Taxa', taxa), ('Genes', usable), ('Duplicates', dups)]) stat_df = pd.DataFrame(stat_data) stat_df[""SetGenes""] = len(all_genes.Gene) stat_df[""UsablePercent""] = (stat_df.Genes * 100) / stat_df.SetGenes stat_df.to_csv(args.s, sep=""\t"", index=False) taxa_df = pd.DataFrame({""Taxa"": taxa}) taxa_df.to_csv(args.t, sep=""\t"", index=False) if sum(stat_df.Genes == 0) > 0: sys.stderr.write(""Some genomes have no usable genes annotated! Please check the stats file!\n"") # sys.exit(1) # Dump per-gene cDNAs: for g, s in per_gene.items(): # Filter out sequences with lengths not divisible by 3: s = [x for x in s if len(x.seq) % 3 == 0] # Filter out gene if we don't have enough taxa: if len(s) / len(taxa) < args.m: continue with open(path.join(args.o, f""gene_cdna_{g}.fas""), ""w"") as output_handle: SeqIO.write(s, output_handle, ""fasta"") ts = [] for x in s: # type: ignore if (len(x.seq) % 3) != 0: continue y = x.translate(stop_symbol='*', to_stop=False, cds=False) # type: ignore # Filter out if cDNA had too many Ns: if str(y.seq).count(""X"") > 10: continue # Filter out sequences with multiple stop # codons: if y.seq.count(""*"") > 1: continue y.id = x.id # type: ignore y.description = """" ts.append(y) if len(ts) < 3: continue if len(ts) / len(taxa) < args.m: continue with open(path.join(args.o, f""gene_prot_{g}.fas""), ""w"") as output_handle: SeqIO.write(ts, output_handle, ""fasta"") ","Python" "Codon","Ensembl/ensembl-compara","pipelines/SpeciesTreeFromBusco/scripts/alignments_to_partitions.py",".py","3382","106","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """""" Merge alignments into partitions. Example: $ python alignments_to_partitions.py -i input.fofn -o output.fas -p output_partitions.csv -t input.taxa """""" import sys import os import argparse from collections import OrderedDict import pandas as pd from Bio import SeqIO # Parse command line arguments: parser = argparse.ArgumentParser( description='Merge alignments with common (possibly partial) taxa.') parser.add_argument( '-i', metavar='input', type=str, help=""Input fofn."", required=True) parser.add_argument( '-o', metavar='output', type=str, help=""Output fasta."", required=True) parser.add_argument( '-p', metavar='output', type=str, help=""Partition file."", required=True) parser.add_argument( '-t', metavar='input_list', type=str, help=""Input taxa file."", required=True) if __name__ == '__main__': args = parser.parse_args() # Read in taxa: taxa_df = pd.read_csv(args.t, sep=""\t"") taxa = sorted(taxa_df.Taxa) # Initialize results dict: merged = OrderedDict() for t in taxa: merged[t] = """" # Open partitions file: # pylint: disable=consider-using-with part_fh = open(args.p, ""w"") # Slurp list of input alignemnts: with open(args.i) as x: aln_files = [y.strip() for y in x.readlines()] if len(aln_files) == 0: sys.stderr.write(""No alignment files specified in the input fofn file!\n"") sys.exit(1) # Total alignment length so far: total_len = 0 # For each alignment: for nr_part, aln_file in enumerate(aln_files): # Check for empty alignments: if os.stat(aln_file).st_size == 0: continue # Read in aligned sequences: records = {x.id: x for x in SeqIO.parse(aln_file, ""fasta"")} # Get current lenght: curr_len = len(list(records.values())[0].seq) # Define partition start and end: start = total_len + 1 end = total_len + curr_len # Define partition number: shift_part = nr_part + 1 # Write out partition: part_fh.write(f""LG+F+G, part{shift_part} = {start}-{end}\n"") # Advance length counter: total_len += curr_len # For each taxa concatenate the sequence if present, gaps if missing: for t in taxa: if t in records: merged[t] = merged[t] + str(records[t].seq) else: merged[t] = merged[t] + ""-"" * curr_len part_fh.flush() part_fh.close() # Write out merged alignment file: with open(args.o, ""w"") as fas_fh: for taxa, seq in merged.items(): if seq.count(""-"") < len(seq): fas_fh.write(f"">{taxa}\n{seq}\n"") ","Python" "Codon","Ensembl/ensembl-compara","travisci/perl-external_unittest_harness.sh",".sh","1842","48","#!/bin/bash # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. echo ""We are running Perl '$TRAVIS_PERL_VERSION', Coverage reporting is set to '$COVERAGE'"" # Setup the environment variables ENSEMBL_PERL5OPT='-MDevel::Cover=+ignore,bioperl,+ignore,ensembl,+ignore,ensembl-test,+ignore,ensembl-variation,+ignore,ensembl-funcgen' ENSEMBL_TESTER=""$PWD/ensembl-test/scripts/runtests.pl"" ENSEMBL_TESTER_OPTIONS=() CORE_SCRIPTS=(""$PWD/ensembl/modules/t/compara.t"") REST_SCRIPTS=(""$PWD/ensembl-rest/t/genomic_alignment.t"" ""$PWD/ensembl-rest/t/info.t"" ""$PWD/ensembl-rest/t/taxonomy.t"" ""$PWD/ensembl-rest/t/homology.t"" ""$PWD/ensembl-rest/t/gene_tree.t"" ""$PWD/ensembl-rest/t/cafe_tree.t"") if [ ""$COVERAGE"" = 'true' ]; then EFFECTIVE_PERL5OPT=""$ENSEMBL_PERL5OPT"" ENSEMBL_TESTER_OPTIONS+=('-verbose') else EFFECTIVE_PERL5OPT="""" fi echo ""Running ensembl test suite using $PERL5LIB"" PERL5OPT=""$EFFECTIVE_PERL5OPT"" perl ""$ENSEMBL_TESTER"" ""${ENSEMBL_TESTER_OPTIONS[@]}"" ""${CORE_SCRIPTS[@]}"" rt1=$? echo ""Running ensembl-rest test suite using $PERL5LIB"" PERL5OPT=""$EFFECTIVE_PERL5OPT"" perl ""$ENSEMBL_TESTER"" ""${ENSEMBL_TESTER_OPTIONS[@]}"" ""${REST_SCRIPTS[@]}"" rt2=$? if [[ ($rt1 -eq 0) && ($rt2 -eq 0) ]]; then exit 0 else exit 255 fi ","Shell" "Codon","Ensembl/ensembl-compara","travisci/python-linter_harness.sh",".sh","2505","76","#!/bin/bash # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # Setup the environment variables # shellcheck disable=SC2155 export PYTHONPATH=$PYTHONPATH:$(python -c 'import sysconfig; print(sysconfig.get_paths()[""purelib""])') # more info: https://mypy.readthedocs.io/en/stable/running_mypy.html#mapping-file-paths-to-modules export MYPYPATH=$MYPYPATH:src/python/lib # Function to run pylint run_pylint() { local pylint_output_file=$(mktemp) # Run pylint, excluding specific files and directories find ""${PYTHON_SOURCE_LOCATIONS[@]}"" -type f -name ""*.py"" \ \! -name ""Ortheus.py"" \ \! -name ""*citest*.py"" \ \! -path ""*/citest/*"" -print0 | xargs -0 pylint --rcfile=pyproject.toml --verbose \ --msg-template='COMPARA_PYLINT_MSG:{path}:{line}:{column}: {msg_id}: {msg} ({symbol})' | tee ""$pylint_output_file"" # Return 1 if pylint messages were found, otherwise 0 # -c option counts the number of matches, -m 1 stops after the first match to optimize performance, local result=$(grep -c -m 1 -E '^COMPARA_PYLINT_MSG:' ""$pylint_output_file"") # Cleanup rm ""$pylint_output_file"" return ""$result"" } # Function to run mypy, excluding certain files and paths, and capturing the outcome run_mypy() { find ""${PYTHON_SOURCE_LOCATIONS[@]}"" -type f -name ""*.py"" \ \! -name ""Ortheus.py"" \ \! -name ""*citest*.py"" \ \! -path ""*/citest/*"" -print0 | xargs -0 mypy --config-file pyproject.toml --namespace-packages --explicit-package-bases } # Define Python source locations PYTHON_SOURCE_LOCATIONS=('scripts' 'src/python') # Run pylint and mypy, capturing their return codes run_pylint rt1=$? run_mypy rt2=$? # Determine exit code based on results if [[ $rt1 -eq 0 && $rt2 -eq 0 ]]; then exit 0 # success elif [[ $rt1 -ne 0 ]]; then exit 1 # pylint error elif [[ $rt2 -ne 0 ]]; then exit 2 # mypy error else exit 3 # error on both fi ","Shell" "Codon","Ensembl/ensembl-compara","travisci/trigger-dependent-build.sh",".sh","5531","156","#!/bin/bash # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. #################### # Global Variables # #################### # The Travis API endpoint. .com and .org are the commercial and free versions, # respectively; enterprise users will have their own hostname. endpoint=https://api.travis-ci.org ############# # Functions # ############# # Get this repo ID repo_id () { curl -s -X GET -H ""Authorization: token $AUTH_TOKEN"" -H ""Travis-API-Version: 3"" https://api.travis-ci.org/repo/$1 | python3 -c ""import sys, json; print(json.load(sys.stdin)['id'])"" } # Make an API request using the auth token set above. First argument is the path # of the API method, all later arguments are passed to curl directly. travis_api () { curl -s $endpoint$1 \ -H ""Authorization: token $AUTH_TOKEN"" \ -H 'Content-Type: application/json' \ -H 'Travis-API-Version: 3' \ ""${@:2}"" } # Create a new environment variable for the repo and return its ID. # First argument is the repo id, second is the environment variable # name, and third is the value. function env_var { travis_api /settings/env_vars?repository_id=$1 \ -d ""{\""env_var\"":{\""name\"":\""$2\"",\""value\"":\""$3\"",\""public\"":true}}"" | sed 's/{""env_var"":{""id"":""\([^""]*\)"",.*/\1/' } # print a spinner and terminate it sp=""/-\|"" sc=0 spin() { printf ""\b${sp:sc++:1}"" ((sc==${#sp})) && sc=0 } endspin() { printf ""\r%s\n"" ""$@"" } # Only run for master builds. Pull request builds have the branch set to master, # so ignore those too. if [ ""${TRAVIS_BRANCH}"" != ""master"" ] || [ ""${TRAVIS_PULL_REQUEST}"" != ""false"" ]; then exit 0 fi # The list of downstream dependent repos dep_repos=(""Ensembl%2Fensembl-rest"") for dep_repo in ""${dep_repos[@]}""; do # Get the ID of the dependent repo dep_repo_id=`repo_id $dep_repo` echo ""Dependent repo: $dep_repo (ID: $dep_repo_id)"" echo ""Checking API triggered builds in the last hour"" if travis_api /repo/$dep_repo/builds?build.event_type=api | python3 travisci/api_build_run_last_hour.py | grep -q ""True""; then echo ""Detected recent API-triggered build (run in the last hour) ... skip."" continue fi echo ""----------------------------------"" echo ""Triggering build on dependent repo"" echo ""----------------------------------"" body=""{ \""request\"": { \""message\"": \""Build triggered by upstream $TRAVIS_REPO_SLUG repo (commit: $TRAVIS_COMMIT, branch: $TRAVIS_BRANCH).\"", \""branch\"": \""master\"" }}"" # Make the request to trigger the build and get the ID of the request dep_repo_master_build_request_id=`travis_api /repo/$dep_repo/requests -H 'Accept: application/json' -X POST -d ""$body"" | python3 -c ""import sys, json; print(json.load(sys.stdin)['request']['id'])""` echo ""Build request ID: $dep_repo_master_build_request_id"" # Wait until request is approved or max amount of time has passed i=0 echo ""Waiting for build request $dep_repo_master_build_request_id to be approved "" build_request_approved="""" until travis_api /repo/$dep_repo/request/$dep_repo_master_build_request_id | grep -q '""result"": ""approved""'; do spin sleep 5 true $(( i++ )) if [ $i -eq 100 ] then echo "" reached max waiting time ... ABORT"" exit 1 fi done endspin echo ""Build request approved."" # Get the ID of the master build. dep_repo_master_build_id=`travis_api /repo/$dep_repo/request/$dep_repo_master_build_request_id | python3 -c ""import sys, json; print(json.load(sys.stdin)['builds'][0]['id'])""` echo ""Build on $dep_repo master branch created (ID: $dep_repo_master_build_id)"" # # Set the three environment variables needed, and capture their IDs so that they # # can be removed later. # env_var_ids=(`env_var $dep_repo_id DEPENDENT_BUILD true` # `env_var $dep_repo_id TRIGGER_COMMIT $TRAVIS_COMMIT` # `env_var $dep_repo_id TRIGGER_REPO $TRAVIS_REPO_SLUG`) # Wait for the build to start using the new environment variables. i=0 printf ""Waiting for build $dep_repo_master_build_id to start "" build_started="""" until travis_api /build/$dep_repo_master_build_id | grep -q '""state"": ""started""'; do spin sleep 5 true $(( i++ )) if [ $i -eq 100 ] then echo "" reached max waiting time ... stop waiting"" build_started=""not yet"" break fi done endspin echo ""Build $dep_repo_master_build_id $build_started started"" # Remove all of the environment variables set above. This does mean that if this # script is terminated for whatever reason, these will need to be cleaned up # manually. We can do this either through the API, or by going to Settings -> # Environment Variables in the Travis web interface. # # for env_var_id in ""${env_var_ids[@]}""; do # travis_api /settings/env_vars/$env_var_id?repository_id=$dep_repo_id -X DELETE # done done ","Shell" "Codon","Ensembl/ensembl-compara","travisci/compile.py",".py","982","27","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Scripts that tests that every module listed as command-line arguments can be compiled"""""" import sys for f in sys.argv[1:]: try: compile(open(f).read(), f, 'exec', 0, 1) except SyntaxError as err: print('{}:{}:{}: {}'.format(err.filename, err.lineno, err.offset, err.msg)) ","Python" "Codon","Ensembl/ensembl-compara","travisci/api_build_run_last_hour.py",".py","1204","32","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import sys import time from datetime import datetime, date import json def api_build_run_last_hour(x): return x['state'] != 'canceled' and \ x['event_type'] == 'api' and \ (x['finished_at'] == None or \ float((datetime.fromtimestamp(time.time()) - datetime.strptime(x['finished_at'],'%Y-%m-%dT%H:%M:%SZ')).total_seconds())/3600 < 1.0) builds = list(filter(api_build_run_last_hour, json.load(sys.stdin)['builds'])) print(len(builds) > 0) ","Python" "Codon","Ensembl/ensembl-compara","travisci/perl-linter_harness.sh",".sh","1151","32","#!/bin/bash # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. prove -r ./travisci/perl-linter/ rt1=$? # Check that all the PODs are valid (we don't mind missing PODs at the moment) # Note the initial ""!"" to negate grep's return code ! find docs modules scripts sql travisci \( -iname '*.t' -o -iname '*.pl' -o -iname '*.pm' \) -print0 | xargs -0 podchecker 2>&1 | grep -v /HALXS/blib/ | grep -v ' pod syntax OK' | grep -v 'does not contain any pod commands' rt2=$? if [[ ($rt1 -eq 0) && ($rt2 -eq 0) ]]; then exit 0 else exit 255 fi ","Shell" "Codon","Ensembl/ensembl-compara","travisci/perl-unittest_harness.sh",".sh","1976","51","#!/bin/bash # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. echo ""We are running Perl '$TRAVIS_PERL_VERSION', Coverage reporting is set to '$COVERAGE'"" # Setup the environment variables ENSEMBL_PERL5OPT='-MDevel::Cover=+ignore,bioperl,+ignore,ensembl,+ignore,ensembl-test,+ignore,ensembl-variation,+ignore,ensembl-funcgen' ENSEMBL_TESTER=""$PWD/ensembl-test/scripts/runtests.pl"" ENSEMBL_TESTER_OPTIONS=() COMPARA_SCRIPTS=(""$PWD/modules/t"") if [ ""$COVERAGE"" = 'true' ]; then EFFECTIVE_PERL5OPT=""$ENSEMBL_PERL5OPT"" ENSEMBL_TESTER_OPTIONS+=('-verbose') else EFFECTIVE_PERL5OPT="""" fi echo ""Running ensembl-compara test suite using $PERL5LIB"" PERL5OPT=""$EFFECTIVE_PERL5OPT"" perl ""$ENSEMBL_TESTER"" ""${ENSEMBL_TESTER_OPTIONS[@]}"" ""${COMPARA_SCRIPTS[@]}"" rt1=$? # Check that all the Perl files can be compiled find docs modules scripts sql travisci -iname '*.t' -print0 | xargs -0 -n 1 perl -c rt2=$? find docs modules scripts sql travisci -iname '*.pl' \! -name 'sample_genomic_regions.pl' \! -name 'test_hal_gab_access.pl' -print0 | xargs -0 -n 1 perl -c rt3=$? find docs modules scripts sql travisci -iname '*.pm' \! -name 'LoadHalMapping.pm' \! -name 'LoadSynonyms.pm' \! -name 'HALAdaptor.pm' \! -name 'HALXS.pm' -print0 | xargs -0 -n 1 perl -c rt4=$? if [[ ($rt1 -eq 0) && ($rt2 -eq 0) && ($rt3 -eq 0) && ($rt4 -eq 0)]]; then exit 0 else exit 255 fi ","Shell" "Codon","Ensembl/ensembl-compara","src/python/examples/unit_tests/test_orthology_benchmark.py",".py","12907","304","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Unit testing of `orthology_benchmark.py` script. Typical usage example:: $ pytest test_orthology_benchmark.py """""" from contextlib import nullcontext as does_not_raise from importlib.abc import Loader from importlib.machinery import ModuleSpec from importlib.util import module_from_spec, spec_from_file_location import os from pathlib import Path import sys from typing import ContextManager, Dict, List import sqlalchemy import pytest from pytest import FixtureRequest, raises, warns from ensembl.compara.filesys import file_cmp script_path = Path(__file__).parents[3] / ""scripts"" / ""pipeline"" / ""orthology_benchmark.py"" script_name = script_path.stem script_spec = spec_from_file_location(script_name, script_path) if not isinstance(script_spec, ModuleSpec): raise ImportError(f""ModuleSpec not created for module file '{script_path}'"") if not isinstance(script_spec.loader, Loader): raise ImportError(f""no loader found for module file '{script_path}'"") orthology_benchmark_module = module_from_spec(script_spec) sys.modules[script_name] = orthology_benchmark_module script_spec.loader.exec_module(orthology_benchmark_module) # pylint: disable=import-error,wrong-import-order,wrong-import-position import orthology_benchmark # type: ignore # pylint: enable=import-error,wrong-import-order,wrong-import-position @pytest.mark.parametrize( ""multi_dbs"", [ [{'src': 'core/gallus_gallus_core_99_6'}, {'src': 'core/homo_sapiens_core_99_38'}] ], indirect=True ) class TestDumpGenomes: """"""Tests :func:`orthology_benchmark.dump_genomes()` function. Attributes: core_dbs: A set of test core databases. host: Host of the test database server. port: Port of the test database server. username: Username to access the test `host:port` """""" core_dbs: dict = {} host: str | None = None port: int | None = None username: str | None = None # autouse=True makes this fixture be executed before any test_* method of this class, and scope='class' to # execute it only once per class parametrization @pytest.fixture(scope='class', autouse=True) def setup(self, request: FixtureRequest, multi_dbs: Dict) -> None: """"""Loads the required fixtures and values as class attributes. Args: request: Access to the requesting test context. multi_dbs: Dictionary of unit test databases (fixture). """""" type(self).core_dbs = multi_dbs server_url = sqlalchemy.engine.url.make_url(request.config.getoption('server')) type(self).host = server_url.host type(self).port = server_url.port type(self).username = ""ensro"" if server_url.username == ""ensadmin"" else server_url.username @pytest.mark.skipif(os.environ['USER'] == 'travis', reason=""The test requires both Perl and Python which is not supported by Travis."") @pytest.mark.parametrize( ""core_list, species_set_name, id_type, expectation"", [ ( [f""{os.environ['USER']}_gallus_gallus_core_99_6"", f""{os.environ['USER']}_homo_sapiens_core_99_38""], ""default"", ""protein"", does_not_raise() ), ([], ""test"", ""gene"", raises(ValueError, match=r""No cores to dump."")) ] ) def test_dump_genomes(self, core_list: List[str], species_set_name: str, tmp_path: Path, id_type: str, expectation: ContextManager) -> None: """"""Tests :func:`orthology_benchmark.dump_genomes()` when server connection can be established. Args: core_list: A list of core database names. species_set_name: Species set (collection) name. tmp_path: Unit test temp directory (fixture). expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.nullcontext` if no exception is expected. """""" with expectation: orthology_benchmark.dump_genomes(core_list, species_set_name, self.host, self.port, tmp_path, id_type) out_files = tmp_path / species_set_name # pylint: disable-next=no-member exp_out = pytest.files_dir / ""orth_benchmark"" # type: ignore[attr-defined,operator] for db_name, unittest_db in self.core_dbs.items(): assert file_cmp(out_files / f""{unittest_db.dbc.db_name}.fasta"", exp_out / f""{db_name}.fasta"") def test_dump_genomes_fake_connection(self, tmp_path: Path) -> None: """"""Tests :func:`orthology_benchmark.dump_genomes()` with fake server details. Args: tmp_path: Unit test temp directory (fixture). """""" with raises(RuntimeError): orthology_benchmark.dump_genomes([""mus_musculus"", ""naja_naja""], ""fake"", ""fake-host"", 65536, tmp_path, ""protein"") def test_dump_genomes_fake_output_path(self) -> None: """"""Tests :func:`orthology_benchmark.dump_genomes()` with fake output path."""""" with raises(OSError, match=r""Failed to create '/nonexistent/path/default' directory.""): orthology_benchmark.dump_genomes([""mus_musculus"", ""naja_naja""], ""default"", self.host, self.port, ""/nonexistent/path"", ""protein"") @pytest.mark.parametrize( ""core_names, exp_output, expectation"", [ ([""mus_musculus_core_105_1"", ""mus_musculus_core_52_105_3"", ""mus_musculus_core_104_4""], ""mus_musculus_core_52_105_3"", does_not_raise()), ([], None, raises(ValueError, match=r""Empty list of core databases. Cannot determine the latest one."")) ] ) def test_find_latest_core(core_names: List[str], exp_output: str, expectation: ContextManager) -> None: """"""Tests :func:`orthology_benchmark.find_latest_core()` function. Args: core_names: A list of core database names. exp_output: Expected return value of the function. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.nullcontext` if no exception is expected. """""" with expectation: assert orthology_benchmark.find_latest_core(core_names) == exp_output @pytest.mark.parametrize( ""multi_dbs"", [ [{'src': 'core/danio_rerio_core_105_11'}, {'src': 'core/mus_musculus_cbaj_core_107_1'}, {'src': 'core/mus_musculus_core_106_39'}] ], indirect=True ) class TestGetCoreNames: """"""Tests :func:`orthology_benchmark.get_core_names()` function. Attributes: core_dbs: A set of test core databases. host: Host of the test database server. port: Port of the test database server. username: Username to access the test `host:port` """""" core_dbs: Dict = {} host: str | None = None port: int | None = None username: str | None = None # autouse=True makes this fixture be executed before any test_* method of this class, and scope='class' to # execute it only once per class parametrization @pytest.fixture(scope='class', autouse=True) def setup(self, request: FixtureRequest, multi_dbs: Dict) -> None: """"""Loads the required fixtures and values as class attributes. Args: request: Access to the requesting test context. multi_dbs: Dictionary of unit test databases (fixture). """""" type(self).core_dbs = multi_dbs server_url = sqlalchemy.engine.url.make_url(request.config.getoption('server')) type(self).host = server_url.host type(self).port = server_url.port type(self).username = ""ensro"" if server_url.username == ""ensadmin"" else server_url.username @pytest.mark.parametrize( ""species_names, exp_output, expectation"", [ ([""danio_rerio"", ""mus_musculus"", ""zea_mays""], {""danio_rerio"": os.environ['USER'] + ""_danio_rerio_core_105_11"", ""mus_musculus"": os.environ['USER'] + ""_mus_musculus_core_106_39""}, does_not_raise()), ([], None, raises(ValueError, match=r""Empty list of species names. Cannot search for core databases."")) ] ) def test_get_core_names(self, species_names: List[str], exp_output: Dict[str, str], expectation: ContextManager) -> None: """"""Tests :func:`orthology_benchmark.get_core_names()` when server connection can be established. Args: species_names: Species (genome) names. exp_output: Expected return value of the function. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.nullcontext` if no exception is expected. """""" with expectation: assert orthology_benchmark.get_core_names(species_names, self.host, self.port, self.username) == exp_output def test_get_core_names_fake_connection(self) -> None: """"""Tests :func:`orthology_benchmark.get_core_names()` with fake server details."""""" with raises(sqlalchemy.exc.OperationalError): orthology_benchmark.get_core_names([""danio_rerio"", ""mus_musculus""], ""fake-host"", 65536, ""compara"") @pytest.mark.parametrize( ""core_name, expectation"", [ (""juglans_regia_core_51_104_1"", does_not_raise()), (""ensembl_compara_core_53_106_30"", warns(UserWarning, match=r""GTF file for 'ensembl_compara_core_53_106_30' "" r""not found."")) ] ) def test_get_gtf_file(core_name: str, tmp_path: Path, expectation: ContextManager) -> None: """"""Tests :func:`orthology_benchmark.get_gtf_file()` function. Args: core_name: Core db name. tmp_path: Unit test temp directory (fixture). expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.nullcontext` if no exception is expected. """""" # pylint: disable-next=no-member test_source_dir = pytest.files_dir / ""orth_benchmark"" # type: ignore[attr-defined,operator] with expectation: orthology_benchmark.get_gtf_file(core_name, test_source_dir, tmp_path) exp_out = test_source_dir / ""release-51"" / ""plants"" / ""gtf"" / ""juglans_regia"" / \ ""Juglans_regia.Walnut_2.0.51.gtf.gz"" assert file_cmp( tmp_path / ""Juglans_regia.Walnut_2.0.51.gtf.gz"", exp_out) @pytest.mark.parametrize( ""core_names, expectation"", [ ([""juglans_regia_core_51_104_1"", ""anopheles_albimanus_core_51_104_2""], does_not_raise()), ([], raises(ValueError, match=r""Empty list of core db names. Cannot search for GTF files."")) ] ) def test_prepare_gtf_files(core_names: str, tmp_path: Path, expectation: ContextManager) -> None: """"""Tests :func:`orthology_benchmark.prepare_gtf_files()` function. Args: core_names: Core db names. tmp_path: Unit test temp directory (fixture). expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.nullcontext` if no exception is expected. """""" # pylint: disable-next=no-member test_source_dir = pytest.files_dir / ""orth_benchmark"" # type: ignore[attr-defined,operator] with expectation: orthology_benchmark.prepare_gtf_files(core_names, test_source_dir, tmp_path) rel_dir = test_source_dir / ""release-51"" exp_out1 = rel_dir / ""plants"" / ""gtf"" / ""juglans_regia"" / ""Juglans_regia.Walnut_2.0.51.gtf"" exp_out2 = rel_dir / ""metazoa"" / ""gtf"" / ""anopheles_albimanus"" / ""Anopheles_albimanus.AalbS2.51.gtf"" assert file_cmp( tmp_path / ""Juglans_regia.Walnut_2.0.51.gtf"", exp_out1) assert file_cmp( tmp_path / ""Anopheles_albimanus.AalbS2.51.gtf"", exp_out2) ","Python" "Codon","Ensembl/ensembl-compara","src/python/examples/unit_tests/test_data_dumps.py",".py","7478","194","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Unit testing of `data_dumps.py` script. Typical usage example:: $ pytest test_data_dumps.py """""" from contextlib import nullcontext as does_not_raise from importlib.abc import Loader from importlib.machinery import ModuleSpec from importlib.util import module_from_spec, spec_from_file_location import os from pathlib import Path import sys from typing import ContextManager, Dict, List import sqlalchemy import pytest from ensembl.compara.filesys import file_cmp script_path = Path(__file__).parents[3] / ""scripts"" / ""pipeline"" / ""data_dumps.py"" script_name = script_path.stem script_spec = spec_from_file_location(script_name, script_path) if not isinstance(script_spec, ModuleSpec): raise ImportError(f""ModuleSpec not created for module file '{script_path}'"") if not isinstance(script_spec.loader, Loader): raise ImportError(f""no loader found for module file '{script_path}'"") data_dumps_module = module_from_spec(script_spec) sys.modules[script_name] = data_dumps_module script_spec.loader.exec_module(data_dumps_module) # pylint: disable=import-error,wrong-import-order,wrong-import-position import data_dumps # type: ignore # pylint: enable=import-error,wrong-import-order,wrong-import-position def test_find_latest_core_naive() -> None: """"""Tests :func:`data_dumps.find_latest_core()` function when it does not raise an error. Args: core_names: A list of core database names. """""" core_names = [""mus_musculus_core_105_1"", ""mus_musculus_core_52_105_3"", ""mus_musculus_core_104_4""] assert data_dumps.find_latest_core(core_names) == ""mus_musculus_core_52_105_3"" def test_find_latest_core_naive_error() -> None: """"""Tests :func:`data_dumps.find_latest_core()` function when it raises an error. Args: core_names: A list of core database names. """""" with pytest.raises(ValueError): data_dumps.find_latest_core([]) @pytest.mark.parametrize( ""core_names, exp_output, expectation"", [ ([""mus_musculus_core_105_1"", ""mus_musculus_core_52_105_3"", ""mus_musculus_core_104_4""], ""mus_musculus_core_52_105_3"", does_not_raise()), ([], None, pytest.raises(ValueError)) ] ) def test_find_latest_core(core_names: List[str], exp_output: str, expectation: ContextManager) -> None: """"""Tests :func:`data_dumps.find_latest_core()` function. Args: core_names: A list of core database names. exp_output: Expected return value of the function. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.nullcontext` if no exception is expected. """""" with expectation: assert data_dumps.find_latest_core(core_names) == exp_output @pytest.mark.parametrize( ""multi_dbs"", [ [{'src': 'core/gallus_gallus_core_99_6'}, {'src': 'core/homo_sapiens_core_99_38'}] ], indirect=True ) class TestDumpGenomes: """"""Tests :func:`data_dumps.dump_genomes()` function. Attributes: core_dbs: A set of test core databases. host: Host of the test database server. port: Port of the test database server. username: Username to access the test `host:port` """""" core_dbs: dict = {} host: str | None = None port: int | None = None username: str | None = None # autouse=True makes this fixture be executed before any test_* method of this class, and scope='class' # to execute it only once per class parametrization @pytest.fixture(scope='class', autouse=True) def setup(self, request: pytest.FixtureRequest, multi_dbs: Dict) -> None: """"""Loads the required fixtures and values as class attributes. Args: request: Access to the requesting test context. multi_dbs: Dictionary of unit test databases (fixture). """""" type(self).core_dbs = multi_dbs server_url = sqlalchemy.engine.url.make_url(request.config.getoption('server')) type(self).host = server_url.host type(self).port = server_url.port type(self).username = ""ensro"" if server_url.username == ""ensadmin"" else server_url.username @pytest.mark.skipif(os.environ['USER'] == 'travis', reason=""The test requires both Perl and Python which is not supported by Travis."") @pytest.mark.parametrize( ""core_list, species_set_name, id_type, expectation"", [ ( [f""{os.environ['USER']}_gallus_gallus_core_99_6"", f""{os.environ['USER']}_homo_sapiens_core_99_38""], ""vertebrates"", ""protein"", does_not_raise() ), ([], ""test"", ""gene"", pytest.raises(ValueError)) ] ) def test_dump_genomes(self, core_list: List[str], species_set_name: str, tmp_path: Path, id_type: str, expectation: ContextManager) -> None: """"""Tests :func:`data_dumps.dump_genomes()` when server connection can be established. Args: core_list: A list of core db names. species_set_name: Species set (collection) name. tmp_path: Unit test temp directory (fixture). id_type: Type of identifier to use in the dumps. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.nullcontext` if no exception is expected. """""" with expectation: data_dumps.dump_genomes(core_list, species_set_name, self.host, self.port, tmp_path, id_type) out_files = tmp_path / species_set_name # pylint: disable-next=no-member exp_out = pytest.files_dir / ""dump_genomes"" # type: ignore[attr-defined,operator] for db_name, unittest_db in self.core_dbs.items(): assert file_cmp(out_files / f""{unittest_db.dbc.db_name}.fasta"", exp_out / f""{db_name}.fasta"") def test_dump_genomes_fake_connection(self, tmp_path: Path) -> None: """"""Tests :func:`data_dumps.dump_genomes()` with fake server details. Args: tmp_path: Unit test temp directory (fixture). """""" with pytest.raises(RuntimeError): data_dumps.dump_genomes([""mus_musculus"", ""naja_naja""], ""fake"", ""fake-host"", 65536, tmp_path, ""protein"") def test_dump_genomes_fake_output_path(self) -> None: """"""Tests :func:`data_dumps.dump_genomes()` with fake output path."""""" with pytest.raises(OSError): data_dumps.dump_genomes([""mus_musculus"", ""naja_naja""], ""default"", self.host, self.port, ""/nonexistent/path"", ""protein"") ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/__init__.py",".py","687","16","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Ensembl Compara namespace"""""" ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/utils/tools.py",".py","1248","42","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Collection of utils methods targeted to diverse topics and applications. Typical usage examples:: >>> from ensembl.compara.utils.tools import * >>> print(to_list('3')) ['3'] """""" __all__ = ['to_list'] from typing import Any, Optional, List def to_list(x: Optional[Any]) -> List: """"""Returns the list version of `x`. Returns: `x` if `x` is a list, a list containing `x` if `x` is not a list and ``bool(x)`` is True, and an empty list otherwise. """""" if not x: return [] if not isinstance(x, list): return [x] return x ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/utils/__init__.py",".py","697","18","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Utils module."""""" from .tools import * ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/citest/_citest.py",".py","2443","68","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""CITest abstract classes."""""" __all__ = ['CITestMeta', 'CITestItem'] from abc import ABC, ABCMeta, abstractmethod from collections import OrderedDict from typing import Dict, Optional, Tuple, Union import py import pytest class CITestMeta(ABCMeta, type(pytest.Item)): # type: ignore """"""Metaclass required to solve the metaclass conflict in CITestItem."""""" class CITestItem(ABC, pytest.Item, metaclass=CITestMeta): """"""Abstract class of the test set to compare two (analogous) Ensembl Compara elements. Args: name: Name of the test to run. parent: The parent collector node. args: Arguments to pass to the test call. Attributes: args (Dict): Arguments to pass to the test call. error_info (OrderedDict): Additional information provided when a test fails. """""" def __init__(self, name: str, parent: pytest.Item, args: Dict) -> None: super().__init__(name, parent) self.args = args self.error_info = OrderedDict() # type: OrderedDict def runtest(self) -> None: """"""Executes the selected test function with the given arguments. Raises: SyntaxError: If the test function to call does not exist. """""" test_method = 'test_' + self.name if not hasattr(self, test_method): raise SyntaxError(f""Test '{self.name}' not found"") getattr(self, test_method)(**self.args) def reportinfo(self) -> Tuple[Union[py.path.local, str], Optional[int], str]: """"""Returns the location, the exit status and the header of the report section."""""" return self.fspath, None, self.get_report_header() @abstractmethod def get_report_header(self) -> str: """"""Returns the header to display in the error report."""""" ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/citest/pytest_citest.py",".py","7621","170","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""CITest plugin for pytest."""""" from collections import OrderedDict import json import os from typing import Dict, Iterator, Optional import py import pytest from _pytest.config.argparsing import Parser from _pytest.runner import TestReport from ensembl.database import DBConnection from ..filesys import DirCmp from .testdb import CITestDBItem from .testfiles import CITestFilesItem @pytest.hookimpl() def pytest_addoption(parser: Parser) -> None: """"""Registers argparse-style options for CITest."""""" group = parser.getgroup(""continuous integration test (citest)"") group.addoption('--reference-db', action='store', metavar='URL', dest='reference_db', help=""URL to reference database"") group.addoption('--reference-dir', action='store', metavar='PATH', dest='reference_dir', help=""Path to reference root directory"") group.addoption('--target-db', action='store', metavar='URL', dest='target_db', help=""URL to target database"") group.addoption('--target-dir', action='store', metavar='PATH', dest='target_dir', help=""Path to target root directory"") def pytest_collect_file(parent: pytest.Session, path: py.path.local) -> Optional[pytest.File]: """"""Returns the collection of tests to run as indicated in the given JSON file."""""" if path.ext == '.json': return JsonFile(path, parent) return None def pytest_sessionstart(session: pytest.Session) -> None: """"""Adds required variables to the session before entering the run test loop."""""" session.report = {} @pytest.hookimpl(tryfirst=True, hookwrapper=True) def pytest_runtest_makereport(item: pytest.Item) -> TestReport: """"""Returns the test report updated with custom information."""""" outcome = yield report = outcome.get_result() if report.when == 'call': item.session.report[item] = report def pytest_sessionfinish(session: pytest.Session) -> None: """"""Generates a custom report before returning the exit status to the system."""""" # Use the configuration JSON file as template for the report config_filename = session.config.getoption('file_or_dir')[0] with open(config_filename) as f: full_report = json.load(f, object_pairs_hook=OrderedDict) # Update/add global information for arg in ['reference_db', 'reference_dir', 'target_db', 'target_dir']: full_report[arg] = session.config.getoption(arg, full_report.get(arg), True) # Add the reported information of each test failed = 0 for item, report in session.report.items(): if isinstance(item, CITestDBItem): test_list = full_report['database_tests'][item.table] else: test_list = full_report['files_tests'] for test in test_list: # Find the test entry corresponding to this item if (test['test'] == item.name) and (test['args'] == item.args): test['status'] = report.outcome.capitalize() if report.failed: failed += 1 test['error'] = OrderedDict([('message', report.longreprtext)]) if item.error_info: test['error']['details'] = item.error_info break # Save full report in a JSON file with the same name as the citest JSON file report_filename = os.path.basename(config_filename).rsplit(""."", 1)[0] + "".report.json"" # Make sure not to overwrite previous reports if os.path.isfile(report_filename): i = 1 while os.path.isfile(f""{report_filename}.{i}""): i += 1 report_filename = f""{report_filename}.{i}"" with open(report_filename, ""w"") as f: json.dump(full_report, f, indent=4) # Print summary in STDOUT total = len(session.report) print(f""\n{total - failed} out of {total} tests ok"") class JsonFile(pytest.File): """"""Test collector from CITest JSON files."""""" def collect(self) -> Iterator: """"""Parses the JSON file and loads all the tests. Returns: Iterator of :class:`testdb.CITestDBItem` or :class:`testfiles.CITestFilesItem` objects (depending on the the tests included in the JSON file). Raises: AttributeError: If ``test`` or ``args`` keys are missing in any test. """""" # Load the JSON file with self.fspath.open() as f: pipeline_tests = json.load(f) # Parse each test and load it if 'database_tests' in pipeline_tests: # Load the reference and target DBs ref_url = self._get_arg(pipeline_tests, 'reference_db') target_url = self._get_arg(pipeline_tests, 'target_db') ref_dbc = DBConnection(ref_url) target_dbc = DBConnection(target_url) for table, test_list in pipeline_tests['database_tests'].items(): for test in test_list: # Ensure required keys are present in every test if 'test' not in test: raise AttributeError(f""Missing argument 'test' in database_tests['{table}']"") if 'args' not in test: raise AttributeError( f""Missing argument 'args' in database_tests['{table}']['{test['test']}']"") yield CITestDBItem(test['test'], self, ref_dbc, target_dbc, table, test['args']) if 'files_tests' in pipeline_tests: # Load the reference and target directory paths ref_path = os.path.expandvars(self._get_arg(pipeline_tests, 'reference_dir')) target_path = os.path.expandvars(self._get_arg(pipeline_tests, 'target_dir')) dir_cmp = DirCmp(ref_path=ref_path, target_path=target_path) for i, test in enumerate(pipeline_tests['files_tests'], 1): # Ensure required keys are present in every test if 'test' not in test: raise AttributeError(f""Missing argument 'test' in files_tests #{i}"") if 'args' not in test: raise AttributeError(f""Missing argument 'args' in files_tests #{i}"") yield CITestFilesItem(test['test'], self, dir_cmp, test['args']) def _get_arg(self, pipeline_tests: Dict, name: str) -> str: """"""Returns the requested parameter from the command line (priority) or the JSON configuration file. Args: pipeline_tests: Pipeline tests and their configuration. name: Parameter name. Raises: ValueError: If the parameter has not been set in neither the command line nor the JSON configuration file. """""" argument = self.config.getoption(name, pipeline_tests.get(name, ''), True) if not argument: raise ValueError(f""Required argument '--{name.replace('_', '-')}' or '{name}' key in JSON file"") return argument ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/citest/__init__.py",".py","724","19","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""CITest module."""""" from .testdb import * from .testfiles import * ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/citest/testdb.py",".py","11221","231","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""CITest database comparison module."""""" __all__ = ['CITestDBItem', 'CITestDBError', 'CITestDBContentError', 'CITestDBGroupingError', 'CITestDBNumRowsError'] from typing import Any, Dict, List, Union import pandas import pytest from _pytest._code.code import ExceptionChainRepr, ExceptionInfo, ReprExceptionInfo from _pytest.fixtures import FixtureLookupErrorRepr from sqlalchemy import func from sqlalchemy.sql.expression import select, text from ensembl.database import Query, DBConnection from ..utils import to_list from ._citest import CITestItem class CITestDBItem(CITestItem): """"""Generic tests to compare a table in two (analogous) Ensembl Compara MySQL databases. Args: name: Name of the test to run. parent: The parent collector node. ref_dbc: Reference database connection handler. target_dbc: Target database connection handler. table: Table to be tested. args: Arguments to pass to the test call. Attributes: ref_dbc (DBConnection): Reference database connection handler. target_dbc (DBConnection): Target database connection handler. table (str): Table to be tested. """""" def __init__(self, name: str, parent: pytest.Item, ref_dbc: DBConnection, target_dbc: DBConnection, table: str, args: Dict) -> None: super().__init__(name, parent, args) self.ref_dbc = ref_dbc self.target_dbc = target_dbc self.table = table def repr_failure(self, excinfo: ExceptionInfo, style: str = None ) -> Union[str, ReprExceptionInfo, ExceptionChainRepr, FixtureLookupErrorRepr]: """"""Returns the failure representation that will be displayed in the report section. Note: This method is called when :meth:`CITestDBItem.runtest()` raises an exception. Args: excinfo: Exception information with additional support for navigating and traceback. style: Traceback print mode (``auto``/``long``/``short``/``line``/``native``/``no``). """""" if isinstance(excinfo.value, CITestDBError): self.error_info['expected'] = excinfo.value.expected self.error_info['found'] = excinfo.value.found self.error_info['query'] = excinfo.value.query return excinfo.value.args[0] + ""\n"" if isinstance(excinfo.value, TypeError): return excinfo.value.args[0] + ""\n"" return super().repr_failure(excinfo, style) def get_report_header(self) -> str: """"""Returns the header to display in the error report."""""" return f""Database table: {self.table}, test: {self.name}"" def test_num_rows(self, variation: float = 0.0, group_by: Union[str, List] = None, filter_by: Union[str, List] = None) -> None: """"""Compares the number of rows between reference and target tables. If `group_by` is provided, the same variation will be applied to each group. Args: variation: Allowed variation between reference and target tables. group_by: Group rows by column(s), and count the number of rows per group. filter_by: Filter rows by one or more conditions (joined by the AND operator). Raise: CITestDBGroupingError: If `group_by` is provided and the groups returned are different. CITestDBNumRowsError: If the number of rows differ more than the expected variation for at least one group. """""" # Compose the SQL query from the given parameters (both databases should have the same table schema) table = self.ref_dbc.tables[self.table] group_by = to_list(group_by) columns = [table.columns[col] for col in group_by] # Use primary key (if any) in count to improve the query performance primary_keys = self.ref_dbc.get_primary_key_columns(self.table) primary_key_col = table.columns[primary_keys[0]] if primary_keys else None query = select(columns + [func.count(primary_key_col).label('nrows')]).select_from(table) if columns: # ORDER BY to ensure that the results are always in the same order (for the same groups) query = query.group_by(*columns).order_by(*columns) for clause in to_list(filter_by): query = query.where(text(clause)) # Get the number of rows for both databases ref_data = pandas.read_sql(query, self.ref_dbc.connect()) target_data = pandas.read_sql(query, self.target_dbc.connect()) if group_by: # Check if the groups returned are the same merged_data = ref_data.merge(target_data, on=group_by, how='outer', indicator=True) if not merged_data[merged_data['_merge'] != 'both'].empty: # Remove columns ""nrows_x"", ""nrows_y"" and ""_merge"" in the dataframes to include in the report ref_only = merged_data[merged_data['_merge'] == 'left_only'].iloc[:, :-3] target_only = merged_data[merged_data['_merge'] == 'right_only'].iloc[:, :-3] raise CITestDBGroupingError(self.table, ref_only, target_only, query) # Check if the number of rows (per group) are within the allowed variation difference = abs(ref_data['nrows'] - target_data['nrows']) allowed_variation = ref_data['nrows'] * variation failing_rows = difference > allowed_variation if failing_rows.any(): raise CITestDBNumRowsError(self.table, ref_data.loc[failing_rows], target_data.loc[failing_rows], query) def test_content(self, *, columns: Union[str, List] = None, ignore_columns: Union[str, List] = None, filter_by: Union[str, List] = None) -> None: """"""Compares the content between reference and target tables. The data and the data type of each column have to be the same in both tables in order to be considered equal. Args: columns: Columns to take into account in the comparison. ignore_columns: Columns to exclude in the comparison, i.e. all columns but those included in this parameter will be compared. filter_by: Filter rows by one or more conditions (joined by the AND operator). Raise: TypeError: If both `columns` and `ignore_columns` are provided. CITestDBNumRowsError: If the number of rows differ. CITestDBContentError: If one or more rows have different content. """""" if columns and ignore_columns: raise TypeError(""Expected either 'columns' or 'ignore_columns', not both"") # Compose the SQL query from the given parameters (both databases should have the same table schema) table = self.ref_dbc.tables[self.table] if columns: columns = to_list(columns) db_columns = [table.columns[col] for col in columns] else: ignore_columns = to_list(ignore_columns) db_columns = [col for col in table.columns if col.name not in ignore_columns] columns = [col.name for col in db_columns] query = select(db_columns) for clause in to_list(filter_by): query = query.where(text(clause)) # Get the table content for the selected columns ref_data = pandas.read_sql(query, self.ref_dbc.connect()) target_data = pandas.read_sql(query, self.target_dbc.connect()) # Check if the size of the returned tables are the same # Note: although not necessary, this control provides a better error message if ref_data.shape != target_data.shape: raise CITestDBNumRowsError(self.table, ref_data.shape[0], target_data.shape[0], query) # Compare the content of both dataframes merged_data = ref_data.merge(target_data, how='outer', indicator=True) if not merged_data[merged_data['_merge'] != 'both'].empty: # Remove column ""_merge"" in the dataframes to include in the report ref_only = merged_data[merged_data['_merge'] == 'left_only'].iloc[:, :-1] target_only = merged_data[merged_data['_merge'] == 'right_only'].iloc[:, :-1] raise CITestDBContentError(self.table, ref_only, target_only, query) class CITestDBError(Exception): """"""Exception subclass created to handle test failures separatedly from unexpected exceptions. Args: message: Error message to display. expected: Expected value(s) (reference database). found: Value(s) found (target database). query: SQL query used to retrieve the information. Attributes: expected (Any): Expected value(s) (reference database). found (Any): Value(s) found (target database). query (Query): SQL query used to retrieve the information. """""" def __init__(self, message: str, expected: Any, found: Any, query: Query) -> None: super().__init__(message) self.expected = self._parse_data(expected) self.found = self._parse_data(found) self.query = str(query).replace('\n', '').strip() @staticmethod def _parse_data(data: Any) -> Any: """"""Returns a list representation of `data` if it is a dataframe, `data` otherwise."""""" if isinstance(data, pandas.DataFrame): # Avoid the default list representation for empty dataframes: # ['Empty DataFrame', 'Columns: []', 'Index: []'] return [] if data.empty else data.to_string(index=False).splitlines() return data class CITestDBContentError(CITestDBError): """"""Exception raised when `table` has different content in reference and target databases."""""" def __init__(self, table: str, *args: Any) -> None: message = f""Different content found in table '{table}'"" super().__init__(message, *args) class CITestDBGroupingError(CITestDBError): """"""Exception raised when `table` returns different groups for reference and target databases."""""" def __init__(self, table: str, *args: Any) -> None: message = f""Different groups found for table '{table}'"" super().__init__(message, *args) class CITestDBNumRowsError(CITestDBError): """"""Exception raised when `table` has different number of rows in reference and target databases."""""" def __init__(self, table: str, *args: Any) -> None: message = f""Different number of rows for table '{table}'"" super().__init__(message, *args) ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/citest/testfiles.py",".py","8489","174","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""CITest files system comparison module."""""" __all__ = ['CITestFilesItem', 'CITestFilesError', 'CITestFilesContentError', 'CITestFilesSizeError', 'CITestFilesTreeError'] import os from typing import Dict, List, Union import pytest from _pytest.fixtures import FixtureLookupErrorRepr from _pytest._code.code import ExceptionChainRepr, ExceptionInfo, ReprExceptionInfo from ..filesys import DirCmp, PathLike, file_cmp from ..utils import to_list from ._citest import CITestItem class CITestFilesItem(CITestItem): """"""Generic tests to compare two (analogous) Ensembl Compara files (or directories). Args: name: Name of the test to run. parent: The parent collector node. dir_cmp: Directory comparison object to run the test against. args: Arguments to pass to the test call. Attributes: dir_cmp (DirCmp): Directory comparison object to run the test against. """""" def __init__(self, name: str, parent: pytest.Item, dir_cmp: DirCmp, args: Dict) -> None: super().__init__(name, parent, args) self.dir_cmp = dir_cmp def repr_failure(self, excinfo: ExceptionInfo, style: str = None ) -> Union[str, ReprExceptionInfo, ExceptionChainRepr, FixtureLookupErrorRepr]: """"""Returns the failure representation that will be displayed in the report section. Note: This method is called when :meth:`CITestFilesItem.runtest()` raises an exception. Args: excinfo: Exception information with additional support for navigating and traceback. style: Traceback print mode (``auto``/``long``/``short``/``line``/``native``/``no``). """""" if isinstance(excinfo.value, CITestFilesError): self.error_info['mismatches'] = excinfo.value.mismatches self.error_info['reference_only'] = excinfo.value.ref_only self.error_info['target_only'] = excinfo.value.target_only return excinfo.value.args[0] + ""\n"" return super().repr_failure(excinfo, style) def get_report_header(self) -> str: """"""Returns the header to display in the error report."""""" return f""File test: {self.name}"" def test_size(self, variation: float = 0.0, patterns: Union[str, List] = None, paths: Union[PathLike, List] = None) -> None: """"""Compares the size (in bytes) between reference and target files. Args: variation: Allowed size variation between reference and target files. patterns: The filenames of the files tested will match at least one of these glob patterns. paths: Relative directory/file path(s) to be compared (including their subdirectories). Raises: CITestFilesTreeError: If reference and target directory trees differ (for any selected path). CITestFilesSizeError: If at least one file differ in size between reference and target. """""" paths = to_list(paths) # Nested function (closure) to compare the reference and target file sizes def cmp_file_size(ref_filepath: PathLike, target_filepath: PathLike) -> bool: """"""Returns True if `target_filepath` size is larger than allowed variation, False otherwise."""""" ref_size = os.path.getsize(ref_filepath) target_size = os.path.getsize(target_filepath) return abs(ref_size - target_size) > (ref_size * variation) # Traverse the common directory tree, comparing every reference and target file sizes mismatches = self.dir_cmp.apply_test(cmp_file_size, patterns, paths) # Check if there are files either in the reference or the target (but not in both) ref_only = self.dir_cmp.ref_only_list(patterns, paths) target_only = self.dir_cmp.target_only_list(patterns, paths) if mismatches: raise CITestFilesSizeError(mismatches, ref_only, target_only) if ref_only or target_only: raise CITestFilesTreeError(ref_only, target_only) def test_content(self, patterns: Union[str, List] = None, paths: Union[PathLike, List] = None) -> None: """"""Compares the content between reference and target files. Args: patterns: Glob patterns the filenames need to match (at least one). paths: Relative directory/file path(s) to be compared (including their subdirectories). Raises: CITestFilesTreeError: If reference and target directory trees differ (for any selected path). CITestFilesContentError: If at least one file differ between reference and target. """""" paths = to_list(paths) # Nested function (closure) to compare the reference and target files def cmp_file_content(ref_filepath: PathLike, target_filepath: PathLike) -> bool: """"""Returns True if `ref_filepath` and `target_filepath` differ, False otherwise."""""" return not file_cmp(ref_filepath, target_filepath) # Traverse the common directory tree, comparing every reference and target files mismatches = self.dir_cmp.apply_test(cmp_file_content, patterns, paths) # Check if there are files either in the reference or the target (but not in both) ref_only = self.dir_cmp.ref_only_list(patterns, paths) target_only = self.dir_cmp.target_only_list(patterns, paths) if mismatches: raise CITestFilesContentError(mismatches, ref_only, target_only) if ref_only or target_only: raise CITestFilesTreeError(ref_only, target_only) class CITestFilesError(Exception): """"""Exception subclass created to handle test failures separatedly from unexpected exceptions. Args: message: Error message to display. ref_only: Files/directories only found in the reference directory tree. target_only: Files/directories only found in the target directory tree. mismatches: Files that differ between reference and target directory trees. Attributes: ref_only (List[str]): Files/directories only found in the reference directory tree. target_only (List[str]): Files/directories only found in the target directory tree. mismatches (List[str]): Files that differ between reference and target directory trees. """""" def __init__(self, message: str, mismatches: List, ref_only: List, target_only: List) -> None: super().__init__(message) self.mismatches = mismatches self.ref_only = ref_only self.target_only = target_only class CITestFilesContentError(CITestFilesError): """"""Exception raised when comparing the file contents between reference and target directory trees."""""" def __init__(self, mismatches: List, ref_only: List, target_only: List) -> None: num_mms = len(mismatches) message = f""Found {num_mms} file{'s' if num_mms > 1 else ''} with different content"" super().__init__(message, mismatches, ref_only, target_only) class CITestFilesSizeError(CITestFilesError): """"""Exception raised when comparing the file sizes between reference and target directory trees."""""" def __init__(self, mismatches: List, ref_only: List, target_only: List) -> None: num_mms = len(mismatches) message = (f""Found {num_mms} file{'s' if num_mms > 1 else ''} that differ in size more than the "" ""allowed variation"") super().__init__(message, mismatches, ref_only, target_only) class CITestFilesTreeError(CITestFilesError): """"""Exception raised when comparing the file sizes between reference and target directory trees."""""" def __init__(self, ref_only: List, target_only: List) -> None: super().__init__(""Reference and target directory trees are not the same"", [], ref_only, target_only) ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/filesys/dircmp.py",".py","8409","183","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Folder tree comparison methods."""""" from __future__ import annotations __all__ = ['DirCmp'] from collections import deque import fnmatch import functools import itertools import os from pathlib import Path from typing import Callable, Deque, Iterator from ensembl.compara.utils import to_list from ensembl.utils import StrPath class DirCmp: """"""Directory comparison object to compare reference and target directory trees. Args: ref_path: Reference root path, e.g. ``/home/user/pipelines/reference``. target_path: Target root path, e.g. ``/home/user/pipelines/target``. Attributes: ref_path (Path): Reference directory path. target_path (Path): Target directory path. common_files (Set[str]): Files shared between reference and target directories. ref_only (Set[str]): Files/subdirectories only found in the reference directory. target_only (Set[str]): Files/subdirectories only found in the target directory. subdirs (Dict[Path, DirCmp]): Shared subdirectories between reference and target directories. Raises: OSError: If either reference or target directories do not exist. """""" def __init__(self, ref_path: StrPath, target_path: StrPath) -> None: self.ref_path = Path(ref_path) if not self.ref_path.exists(): raise OSError(f""Reference directory '{ref_path}' not found"") self.target_path = Path(target_path) if not self.target_path.exists(): raise OSError(f""Target directory '{target_path}' not found"") ref_dirnames, ref_filenames = next(os.walk(self.ref_path))[1:] ref_dnames = set(ref_dirnames) ref_fnames = set(ref_filenames) target_dirnames, target_filenames = next(os.walk(self.target_path))[1:] target_dnames = set(target_dirnames) target_fnames = set(target_filenames) self.common_files = ref_fnames & target_fnames # Get files/subdirectories only present in the reference directory self.ref_only = ref_fnames - target_fnames for ref_only_dname in ref_dnames - target_dnames: for path, _, files in os.walk(self.ref_path / ref_only_dname): rel_path = os.path.relpath(path, self.ref_path) self.ref_only |= {os.path.join(rel_path, fname) for fname in files} # Get files/subdirectories only present in the target directory self.target_only = target_fnames - ref_fnames for target_only_dname in target_dnames - ref_dnames: for path, _, files in os.walk(self.target_path / target_only_dname): rel_path = os.path.relpath(path, self.target_path) self.target_only |= {os.path.join(rel_path, fname) for fname in files} self.subdirs: dict[Path, DirCmp] = {} for dirname in ref_dnames & target_dnames: self.subdirs[Path(dirname)] = DirCmp(self.ref_path / dirname, self.target_path / dirname) def _traverse( self, attr: str, patterns: str | list | None = None, paths: StrPath | list | None = None ) -> Iterator[str]: """"""Yields each element of the requested attribute found in the directory trees. This method traverses the shared directory tree in breadth-first order. Args: attr: Attribute to return, i.e. ``common_files``, ``ref_only`` or ``target_only``. patterns: Filenames yielded will match at least one of these glob patterns. paths: Relative directory/file paths to traverse. Raises: ValueError: If one of `paths` is not part of the shared directory tree. """""" nodes_left: Deque[tuple[Path, DirCmp]] = deque() # Fetch and append the root node of each relative path for rel_path in to_list(paths): try: node = functools.reduce(lambda x, y: x.subdirs[Path(y)], Path(rel_path).parts, self) except KeyError: # Suppress exception context to display only the ValueError raise ValueError(f""Path '{rel_path}' not found in shared directory tree"") from None nodes_left.append((Path(rel_path), node)) # If no nodes were added, add the root as the starting point if not nodes_left: nodes_left.append((Path(), self)) # Prefix each pattern with ""**"" to match also files within subdirectories (for reference- / # target-only files) patterns = [f""**{glob}"" for glob in to_list(patterns)] while nodes_left: dirname, node = nodes_left.pop() # Append subdirectories to the list of directories left to traverse nodes_left.extend([(dirname / subdir, subnode) for subdir, subnode in node.subdirs.items()]) if patterns: # Get every element of the requested attribute that matches at least one of the patterns mapping = map(functools.partial(fnmatch.filter, getattr(node, attr)), patterns) # Remove element repetitions, result of its name matching more than one pattern elements = set(itertools.chain(*mapping)) else: elements = getattr(node, attr) for ename in elements: yield str(dirname / str(ename)) def apply_test( self, test_func: Callable, patterns: str | list | None = None, paths: StrPath | list | None = None ) -> list[str]: """"""Returns the files in the shared directory tree for which the test function returns True. Args: test_func: Test function applied to each tuple reference- / target-file. It has to expect two ``StrPath`` parameters and return a boolean, like:: def test_func(ref_filepath: StrPath, target_filepath: StrPath) -> bool: patterns: Filenames returned will match at least one of these glob patterns. paths: Relative directory/file paths to evaluate (including their subdirectories). """""" positives = [] for filepath in self._traverse('common_files', patterns, paths): if test_func(self.ref_path / filepath, self.target_path / filepath): positives.append(filepath) return positives def common_list( self, patterns: str | list | None = None, paths: StrPath | list | None = None ) -> list[str]: """"""Returns the files/directories found in the shared directory tree. Args: patterns: Filenames returned will match at least one of these glob patterns. paths: Relative directory/file paths to return (including their subdirectories). """""" return list(self._traverse('common_files', patterns, paths)) def ref_only_list( self, patterns: str | list | None = None, paths: StrPath | list | None = None ) -> list[str]: """"""Returns the files/directories only found in the reference directory tree. Args: patterns: Filenames returned will match at least one of these glob patterns. paths: Relative directory/file paths to return (including their subdirectories). """""" return list(self._traverse('ref_only', patterns, paths)) def target_only_list( self, patterns: str | list | None = None, paths: StrPath | list | None = None ) -> list[str]: """"""Returns the files/directories only found in the target directory tree. Args: patterns: Filenames returned will match at least one of these glob patterns. paths: Relative directory/file paths to return (including their subdirectories). """""" return list(self._traverse('target_only', patterns, paths)) ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/filesys/__init__.py",".py","748","19","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""File system-related classes and methods."""""" from .dircmp import * from .filecmp import * ","Python" "Codon","Ensembl/ensembl-compara","src/python/lib/ensembl/compara/filesys/filecmp.py",".py","2833","76","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""File comparison methods for different file formats. This module provides a main file comparison method, :meth:`file_cmp()`, that compares two files and returns True if they are equivalent, False otherwise. The comparison is made differently depending on the file format. For instance, two Newick files are considered equal if one tree is the result of a permutation of the other. Typical usage examples:: file_cmp('a/homo_sapiens.fa', 'b/homo_sapiens.fa') from pathlib import Path file_cmp(Path('a', 'tree1.nw'), Path('b', 'tree2.nw')) """""" __all__ = ['NEWICK_EXT', 'file_cmp'] import filecmp from pathlib import Path from Bio import Phylo from ensembl.utils import StrPath # File extensions that should be interpreted as the same file format: NEWICK_EXT = {'.nw', '.nwk', '.newick', '.nh'} def file_cmp(fpath1: StrPath, fpath2: StrPath) -> bool: """"""Returns True if files `fpath1` and `fpath2` are equivalent, False otherwise. Args: fpath1: First file path. fpath2: Second file path. """""" fext1 = Path(fpath1).suffix fext2 = Path(fpath2).suffix if (fext1 in NEWICK_EXT) and (fext2 in NEWICK_EXT): return _tree_cmp(fpath1, fpath2) # Resort to a shallow binary file comparison (files with identical os.stat() signatures are taken to be # equal) return filecmp.cmp(str(fpath1), str(fpath2)) def _tree_cmp(fpath1: StrPath, fpath2: StrPath, tree_format: str = 'newick') -> bool: """"""Returns True if trees stored in `fpath1` and `fpath2` are equivalent, False otherwise. Args: fpath1: First tree file path. fpath2: Second tree file path. tree_format: Tree format, i.e. ``newick``, ``nexus``, ``phyloxml`` or ``nexml``. """""" ref_tree = Phylo.read(fpath1, tree_format) target_tree = Phylo.read(fpath2, tree_format) # Both trees are considered equal if they have the same leaves and the same distance from each to the root ref_dists = {leaf.name: ref_tree.distance(leaf) for leaf in ref_tree.get_terminals()} target_dists = {leaf.name: target_tree.distance(leaf) for leaf in target_tree.get_terminals()} return ref_dists == target_dists ","Python" "Codon","Ensembl/ensembl-compara","src/python/tests/test_hal_gene_liftover.py",".py","7069","164","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Unit testing of `hal_gene_liftover.py` script. Typical usage example:: $ pytest test_hal_gene_liftover.py """""" from contextlib import nullcontext as does_not_raise import filecmp from importlib.abc import Loader from importlib.machinery import ModuleSpec from importlib.util import module_from_spec, spec_from_file_location from pathlib import Path import sys from types import ModuleType from typing import ContextManager, Iterable, Mapping, Union import pytest from pytest import raises def import_module_from_file(module_file: Union[Path, str]) -> ModuleType: """"""Import module from file path. The name of the imported module is the basename of the specified module file without its extension. In addition to being returned by this function, the imported module is loaded into the sys.modules dictionary, allowing for commands such as :code:`from import `. Args: module_file: File path of module to import. Returns: The imported module. """""" if not isinstance(module_file, Path): module_file = Path(module_file) module_name = module_file.stem module_spec = spec_from_file_location(module_name, module_file) if not isinstance(module_spec, ModuleSpec): raise ImportError(f""ModuleSpec not created for module file '{module_file}'"") if not isinstance(module_spec.loader, Loader): raise ImportError(f""no loader found for module file '{module_file}'"") module = module_from_spec(module_spec) sys.modules[module_name] = module module_spec.loader.exec_module(module) return module script_path = Path(__file__).parents[3] / 'scripts' / 'hal_alignment' / 'hal_gene_liftover.py' import_module_from_file(script_path) # pylint: disable=import-error,wrong-import-position import hal_gene_liftover # type: ignore from hal_gene_liftover import SimpleRegion # pylint: enable=import-error,wrong-import-position class TestHalGeneLiftover: """"""Tests script hal_gene_liftover.py"""""" ref_file_dir = None # type: Path @pytest.fixture(scope='class', autouse=True) def setup(self) -> None: """"""Loads necessary fixtures and values as class attributes."""""" # pylint: disable-next=no-member type(self).ref_file_dir = pytest.files_dir / 'hal_alignment' # type: ignore @pytest.mark.parametrize( ""region, exp_output, expectation"", [ ('chr1:16-18:1', SimpleRegion('chr1', 15, 18, '+'), does_not_raise()), ('chrX:23-25:-1', SimpleRegion('chrX', 22, 25, '-'), does_not_raise()), ('chr1:0-2:1', None, raises(ValueError, match=r""region start must be greater than or equal to 1: 0"")), ('chr1:2-1:1', None, raises(ValueError, match=r""region 'chr1:2-1:1' has inverted/empty interval"")), ('chr1:1-1:+', None, raises(ValueError, match=r""region 'chr1:1-1:\+' has invalid strand: '\+'"")), ('dummy', None, raises(ValueError, match=r""region 'dummy' could not be parsed"")) ] ) def test_parse_region(self, region: str, exp_output: SimpleRegion, expectation: ContextManager) -> None: """"""Tests :func:`hal_gene_liftover.parse_region()` function. Args: region: Region string. exp_output: Expected return value of the function. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.nullcontext` if no exception is expected. """""" with expectation: obs_output = hal_gene_liftover.parse_region(region) assert obs_output == exp_output @pytest.mark.parametrize( ""regions, chr_sizes, bed_file, flank_length, expectation"", [ ([SimpleRegion('chr1', 15, 18, '+')], {'chr1': 33}, 'a2b.one2one.plus.flank0.src.bed', 0, does_not_raise()), ([SimpleRegion('chr1', 15, 18, '+')], {'chr1': 33}, 'a2b.one2one.plus.flank1.src.bed', 1, does_not_raise()), ([SimpleRegion('chr1', 0, 2, '+')], {'chr1': 33}, 'a2b.chr_start.flank1.src.bed', 1, does_not_raise()), ([SimpleRegion('chr1', 31, 33, '+')], {'chr1': 33}, 'a2b.chr_end.flank1.src.bed', 1, does_not_raise()), ([SimpleRegion('chr1', 15, 18, '+')], {'chr1': 33}, 'a2b.negative_flank.src.bed', -1, raises(ValueError, match=r""'flank_length' must be greater than or equal to 0: -1"")), ([SimpleRegion('chrN', 0, 3, '+')], {'chr1': 33}, 'a2b.unknown_chr.src.bed', 0, raises(ValueError, match=r""chromosome ID not found in input file: 'chrN'"")), ([SimpleRegion('chr1', 31, 34, '+')], {'chr1': 33}, 'a2b.chr_end.oor.src.bed', 0, raises(ValueError, match=r""region end \(34\) must not be greater than the"" r"" corresponding chromosome length \(chr1: 33\)"")), ([SimpleRegion('chr1', -4, 18, '+')], {'chr1': 33}, 'a2b.chr_start.oor.src.bed', 0, raises(ValueError, match=r""region start must be greater than or equal to 0: -4"")) ] ) def test_make_src_region_file(self, regions: Iterable[SimpleRegion], chr_sizes: Mapping[str, int], bed_file: str, flank_length: int, expectation: ContextManager, tmp_path: Path) -> None: """"""Tests :func:`hal_gene_liftover.make_src_region_file()` function. Args: regions: Regions to write to output file. chr_sizes: Mapping of chromosome names to their lengths. bed_file: Path of BED file to output. flank_length: Length of upstream/downstream flanking regions to request. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.nullcontext` if no exception is expected. tmp_path: Unit test temp directory (fixture). """""" with expectation: out_file_path = tmp_path / bed_file hal_gene_liftover.make_src_region_file(regions, chr_sizes, out_file_path, flank_length) ref_file_path = self.ref_file_dir / bed_file assert filecmp.cmp(out_file_path, ref_file_path) ","Python" "Codon","Ensembl/ensembl-compara","src/python/tests/test_filesys.py",".py","9499","217","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Unit testing of :mod:`filesys` module. The unit testing is divided into one test class per submodule/class found in this module, and one test method per public function/class method. A base test class has been added to load the basic attributes required by the unit test classes. Typical usage example:: $ pytest test_filesys.py """""" from contextlib import ExitStack as does_not_raise import filecmp from pathlib import Path from typing import ContextManager, Dict, Set import pytest from pytest import raises from ensembl.compara.filesys import DirCmp, file_cmp from ensembl.utils import StrPath class BaseTestFilesys: """"""Base class to configure all the attributes required by the test classes of this module. Attributes: dir_cmp (DirCmp): Directory tree comparison. """""" dir_cmp: DirCmp = None # type: ignore # autouse=True makes this fixture be executed before any test_* method of this class, and scope='class' to # execute it only once per class parametrization @pytest.fixture(scope='class', autouse=True) def setup(self, dir_cmp: DirCmp) -> None: """"""Loads the required fixtures and values as class attributes. Args: dir_cmp: Directory tree comparison (fixture). """""" # Use type(self) instead of self as a workaround to @classmethod decorator (unsupported by pytest and # required when scope is set to ""class"" ) type(self).dir_cmp = dir_cmp @pytest.mark.parametrize(""dir_cmp"", [{'ref': 'citest/reference', 'target': 'citest/target'}], indirect=True) class TestDirCmp(BaseTestFilesys): """"""Tests :class:`DirCmp` class."""""" @pytest.mark.dependency(name='test_init', scope='class') def test_init(self) -> None: """"""Tests that the object :class:`DirCmp` is initialised correctly."""""" assert ""citest_reference"" == self.dir_cmp.ref_path.name, ""Unexpected reference root path"" assert ""citest_target"" == self.dir_cmp.target_path.name, ""Unexpected target root path"" # Check the files at the root assert self.dir_cmp.common_files == set(), ""Found unexpected files at the root of both trees"" assert self.dir_cmp.ref_only == {'3/a.txt'}, ""Expected '3/a.txt' at reference tree's root"" assert self.dir_cmp.target_only == {'4/a.txt'}, ""Expected '4/a.txt' at target tree's root"" # Check each subdirectory expected = { 1: {'common_files': {'b.txt', 'c.txt'}}, 2: {'common_files': {'a.nw', 'b.nwk'}}, } for i, value in expected.items(): key = Path(str(i)) for attr in ['common_files', 'ref_only', 'target_only', 'subdirs']: if attr in value: assert getattr(self.dir_cmp.subdirs[key], attr) == value[attr], \ f""Expected {attr} '{', '.join(value[attr])}' at '{i}/'"" else: assert not getattr(self.dir_cmp.subdirs[key], attr), \ f""Found unexpected {attr} elements at '{i}/'"" @pytest.mark.dependency(depends=['test_init'], scope='class') @pytest.mark.parametrize( ""kwargs, output, expectation"", [ ({}, {'0/a.txt'}, does_not_raise()), ({'patterns': 'a*'}, {'0/a.txt'}, does_not_raise()), ({'patterns': ['b*', 'c*']}, set(), does_not_raise()), ({'paths': '3'}, None, raises(ValueError)), ({'paths': ['1', '2']}, set(), does_not_raise()), ({'patterns': 'a*', 'paths': ['1', '2']}, set(), does_not_raise()), ], ) def test_apply_test(self, kwargs: Dict, output: Set[str], expectation: ContextManager) -> None: """"""Tests :meth:`DirCmp.apply_test()` method. Args: kwargs: Named arguments to be passed to the method. output: Expected file paths returned by the method. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.ExitStack` if no exception is expected. """""" with expectation: assert set(self.dir_cmp.apply_test(filecmp.cmp, **kwargs)) == output @pytest.mark.dependency(depends=['test_init'], scope='class') @pytest.mark.parametrize( ""kwargs, output, expectation"", [ ({}, {'0/a.txt', '1/b.txt', '1/c.txt', '2/a.nw', '2/b.nwk'}, does_not_raise()), ({'patterns': 'a*'}, {'0/a.txt', '2/a.nw'}, does_not_raise()), ({'patterns': ['b*', 'c*']}, {'1/b.txt', '1/c.txt', '2/b.nwk'}, does_not_raise()), ({'paths': '3'}, None, raises(ValueError)), ({'paths': ['1', '2']}, {'1/b.txt', '1/c.txt', '2/a.nw', '2/b.nwk'}, does_not_raise()), ({'patterns': 'a*', 'paths': ['1', '2']}, {'2/a.nw'}, does_not_raise()), ], ) def test_common_list(self, kwargs: Dict, output: Set[str], expectation: ContextManager) -> None: """"""Tests :meth:`DirCmp.common_list()` method. Args: kwargs: Named arguments to be passed to the method. output: Expected file paths returned by the method. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.ExitStack` if no exception is expected. """""" with expectation: assert set(self.dir_cmp.common_list(**kwargs)) == output @pytest.mark.dependency(depends=['test_init'], scope='class') @pytest.mark.parametrize( ""kwargs, output, expectation"", [ ({}, {'3/a.txt'}, does_not_raise()), ({'patterns': 'a*'}, {'3/a.txt'}, does_not_raise()), ({'patterns': ['b*', 'c*']}, set(), does_not_raise()), ({'paths': '3'}, None, raises(ValueError)), ({'paths': ['1', '2']}, set(), does_not_raise()), ({'patterns': 'a*', 'paths': ['1', '2']}, set(), does_not_raise()), ], ) def test_ref_only_list(self, kwargs: Dict, output: Set[str], expectation: ContextManager) -> None: """"""Tests :meth:`DirCmp.ref_only_list()` method. Args: kwargs: Named arguments to be passed to the method. output: Expected file paths returned by the method. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.ExitStack` if no exception is expected. """""" with expectation: assert set(self.dir_cmp.ref_only_list(**kwargs)) == output @pytest.mark.dependency(depends=['test_init'], scope='class') @pytest.mark.parametrize( ""kwargs, output, expectation"", [ ({}, {'0/b.txt', '4/a.txt'}, does_not_raise()), ({'patterns': 'a*'}, {'4/a.txt'}, does_not_raise()), ({'patterns': ['b*', 'c*']}, {'0/b.txt'}, does_not_raise()), ({'paths': '3'}, None, raises(ValueError)), ({'paths': ['1', '2']}, set(), does_not_raise()), ({'patterns': 'a*', 'paths': ['1', '2']}, set(), does_not_raise()), ], ) def test_target_only_list(self, kwargs: Dict, output: Set[str], expectation: ContextManager) -> None: """"""Tests :meth:`DirCmp.target_only_list()` method. Args: kwargs: Named arguments to be passed to the method. output: Expected file paths returned by the method. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.ExitStack` if no exception is expected. """""" with expectation: assert set(self.dir_cmp.target_only_list(**kwargs)) == output @pytest.mark.parametrize(""dir_cmp"", [{'ref': 'citest/reference', 'target': 'citest/target'}], indirect=True) class TestFileCmp(BaseTestFilesys): """"""Tests :mod:`filecmp` module."""""" @pytest.mark.parametrize( ""filepath, output"", [ (Path('0', 'a.txt'), True), (Path('1', 'b.txt'), False), (Path('1', 'c.txt'), False), (Path('2', 'a.nw'), True), (Path('2', 'b.nwk'), False), ], ) def test_file_cmp(self, filepath: StrPath, output: bool) -> None: """"""Tests :meth:`filecmp.file_cmp()` method. Args: filepath: Relative file path to compare between reference and target directory trees. output: Expected returned boolean value. """""" assert file_cmp(self.dir_cmp.ref_path / filepath, self.dir_cmp.target_path / filepath) == output, \ f""Files should be {'equivalent' if output else 'different'}"" ","Python" "Codon","Ensembl/ensembl-compara","src/python/tests/test_pick_third_site.py",".py","2000","57","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Testing of `pick_third_site.py` script. Typical usage example:: $ pytest collate_busco_results.py """""" import sys import subprocess from pathlib import Path from ensembl.compara.filesys import file_cmp class TestPickThirdSite: """"""Tests for the `pick_third_site.py` script. """""" def test_pick_third_site(self, tmp_path: Path) -> None: """"""Tests the output of `collate_busco_results.py` script. Args: tmp_path: Unit test temp directory (fixture). """""" input_file = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'pick_third_site_input.fas') output_fas = str(tmp_path / ""pick_third_site_output.fas"") # Run the command cmd = [sys.executable, str(Path(__file__).parents[3] / 'pipelines' / 'SpeciesTreeFromBusco' / 'scripts' / 'pick_third_site.py'), '-i', input_file, '-o', output_fas] location = str(Path(__file__).parents[0]) subprocess.check_call(cmd, cwd=location) # Compare with expected output: expected_fas = str(Path(__file__).parents[2] / 'test_data' / ""flatfiles"" / ""SpeciesTreeFromBusco"" / ""pick_third_site_expected.fas"") assert file_cmp(output_fas, expected_fas) ","Python" "Codon","Ensembl/ensembl-compara","src/python/tests/test_alignments_to_partitions.py",".py","3512","87","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Testing of `alignments_to_partitions.py` script. Typical usage example:: $ pytest alignments_to_partitions.py """""" import sys import subprocess from pathlib import Path from pytest import raises from ensembl.compara.filesys import file_cmp class TestAlignmentsToParitions: """"""Tests for the `alignments_to_partitions.py` script. """""" def test_merge_output(self, tmp_path: Path) -> None: """"""Tests the output of `alignments_to_partitions.py` script. Args: tmp_path: Unit test temp directory (fixture). """""" input_file = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'busco_merge_input_fofn.txt') input_taxa = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'collate_output_taxa.tsv') output_fasta = str(tmp_path / ""merged_fasta.tsv"") output_parts = str(tmp_path / ""paritions.tsv"") # Run the command cmd = [sys.executable, str(Path(__file__).parents[3] / 'pipelines' / 'SpeciesTreeFromBusco' / 'scripts' / 'alignments_to_partitions.py'), '-i', input_file, '-o', output_fasta, '-p', output_parts, '-t', input_taxa] location = str(Path(__file__).parents[0]) subprocess.check_call(cmd, cwd=location) # Compare with expected output: expected_fasta = str(Path(__file__).parents[2] / 'test_data' / ""flatfiles"" / ""SpeciesTreeFromBusco"" / ""busco_merged.fas"") assert file_cmp(output_fasta, expected_fasta) def test_merge_for_empty_input(self, tmp_path: Path) -> None: """"""Tests the `alignments_to_partitions.py` script when input is empty. Args: tmp_path: Unit test temp directory (fixture). """""" input_file = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'empty_file.txt') input_taxa = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'collate_output_taxa.tsv') output_fasta = str(tmp_path / ""merged_fasta.tsv"") output_parts = str(tmp_path / ""paritions.tsv"") # Run the command cmd = [sys.executable, str(Path(__file__).parents[3] / 'pipelines' / 'SpeciesTreeFromBusco' / 'scripts' / 'alignments_to_partitions.py'), '-i', input_file, '-o', output_fasta, '-p', output_parts, '-t', input_taxa] location = str(Path(__file__).parents[0]) with raises(subprocess.CalledProcessError): subprocess.check_call(cmd, cwd=location) ","Python" "Codon","Ensembl/ensembl-compara","src/python/tests/test_filter_for_longest_busco.py",".py","3944","97","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Testing of `filter_for_longest_busco.py` script. Typical usage example:: $ pytest filter_for_longest_busco.py """""" import sys import subprocess from pathlib import Path from pytest import raises from ensembl.compara.filesys import file_cmp class TestFilterForLongestBusco: """"""Tests for the `filter_for_longest_busco.py` script. """""" def test_filter_for_longest_output(self, tmp_path: Path) -> None: """"""Tests the output of `filter_for_longest_busco.py` script. Args: tmp_path: Unit test temp directory (fixture). """""" input_file = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'busco_filter_test.fas') output_file = str(tmp_path / ""longest_busco.fas"") output_genes = str(tmp_path / ""busco_genes.tsv"") # Run the command cmd = [sys.executable, str(Path(__file__).parents[3] / 'pipelines' / 'SpeciesTreeFromBusco' / 'scripts' / 'filter_for_longest_busco.py'), '-i', input_file, '-o', output_file, '-l', output_genes] subprocess.check_call(cmd) # Compare with expected output: expected_genes = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'busco_filter_test_genes.tsv') expected_output = str(Path(__file__).parents[2] / 'test_data' / ""flatfiles"" / ""SpeciesTreeFromBusco"" / ""busco_filter_test_output.fas"") assert file_cmp(tmp_path / ""longest_busco.fas"", expected_output) # type: ignore assert file_cmp(tmp_path / ""busco_genes.tsv"", expected_genes) # type: ignore def test_filter_for_longest_missing_input(self) -> None: """"""Tests `filter_for_longest_busco.py` script when input file is missing. Args: """""" input_file = """" output_file = ""dummy.fas"" output_genes = ""dummy.tsv"" # Run the command cmd = [sys.executable, str(Path(__file__).parents[3] / 'pipelines' / 'SpeciesTreeFromBusco' / 'scripts' / 'filter_for_longest_busco.py'), '-i', input_file, '-o', output_file, '-l', output_genes] with raises(subprocess.CalledProcessError): subprocess.check_call(cmd) def test_filter_for_longest_empty_input(self, tmp_path: Path) -> None: """"""Tests `filter_for_longest_busco.py` script when input file is empty. Args: tmp_path: Unit test temp directory (fixture). """""" input_file = """" input_file = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'empty_file.txt') output_file = str(tmp_path / ""dummy.fas"") output_genes = str(tmp_path / ""dummy.tsv"") # Run the command cmd = [sys.executable, str(Path(__file__).parents[3] / 'pipelines' / 'SpeciesTreeFromBusco' / 'scripts' / 'filter_for_longest_busco.py'), '-i', input_file, '-o', output_file, '-l', output_genes] with raises(subprocess.CalledProcessError): subprocess.check_call(cmd) ","Python" "Codon","Ensembl/ensembl-compara","src/python/tests/test_collate_busco_results.py",".py","4187","97","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Testing of `collate_busco_results.py` script. Typical usage example:: $ pytest collate_busco_results.py """""" import sys import subprocess from pathlib import Path from pytest import raises from ensembl.compara.filesys import file_cmp class TestCollateBusco: """"""Tests for the `collate_busco_results.py` script. """""" def test_collate_output(self, tmp_path: Path) -> None: """"""Tests the output of `collate_busco_results.py` script. Args: tmp_path: Unit test temp directory (fixture). """""" input_file = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'busco_collate_fofn.txt') input_genes = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'busco_collate_genes.tsv') output_stats = str(tmp_path / ""stats.tsv"") output_taxa = str(tmp_path / ""taxa.tsv"") # Run the command cmd = [sys.executable, str(Path(__file__).parents[3] / 'pipelines' / 'SpeciesTreeFromBusco' / 'scripts' / 'collate_busco_results.py'), '-i', input_file, '-m', '0.6', '-o', str(tmp_path), '-l', input_genes, '-s', output_stats, '-t', output_taxa] location = str(Path(__file__).parents[0]) subprocess.check_call(cmd, cwd=location) # Compare with expected output: expected_stats = str(Path(__file__).parents[2] / 'test_data' / ""flatfiles"" / ""SpeciesTreeFromBusco"" / ""collate_output_stats.tsv"") expected_taxa = str(Path(__file__).parents[2] / 'test_data' / ""flatfiles"" / ""SpeciesTreeFromBusco"" / ""collate_output_taxa.tsv"") expected_gene1 = str(Path(__file__).parents[2] / 'test_data' / ""flatfiles"" / ""SpeciesTreeFromBusco"" / ""collate_gene_prot_gene1.fas"") expected_gene3 = str(Path(__file__).parents[2] / 'test_data' / ""flatfiles"" / ""SpeciesTreeFromBusco"" / ""collate_gene_prot_gene3.fas"") # Compare stats and taxa: assert file_cmp(output_stats, expected_stats) assert file_cmp(output_taxa, expected_taxa) # Compare per-gene output: assert file_cmp(str(tmp_path / ""gene_prot_gene1.fas""), expected_gene1) assert file_cmp(str(tmp_path / ""gene_prot_gene3.fas""), expected_gene3) def test_collate_for_empty_input(self, tmp_path: Path) -> None: """"""Tests the `collate_busco_results.py` script when input is empty. Args: tmp_path: Unit test temp directory (fixture). """""" input_file = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'empty_file.txt') input_genes = str(Path(__file__).parents[2] / 'test_data' / 'flatfiles' / 'SpeciesTreeFromBusco' / 'busco_collate_genes.tsv') output_stats = str(tmp_path / ""stats.tsv"") output_taxa = str(tmp_path / ""taxa.tsv"") # Run the command cmd = [sys.executable, str(Path(__file__).parents[3] / 'pipelines' / 'SpeciesTreeFromBusco' / 'scripts' / 'collate_busco_results.py'), '-i', input_file, '-m', '0.5', '-o', str(tmp_path), '-l', input_genes, '-s', output_stats, '-t', output_taxa] with raises(subprocess.CalledProcessError): subprocess.check_call(cmd) ","Python" "Codon","Ensembl/ensembl-compara","src/python/tests/test_utils.py",".py","1580","55","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Unit testing of :mod:`utils` module. The unit testing is divided into one test class per submodule/class found in this module, and one test method per public function/class method. Typical usage example:: $ pytest test_utils.py """""" from typing import Any, List import pytest from ensembl.compara.utils import to_list class TestTools: """"""Tests :mod:`tools` submodule."""""" @pytest.mark.parametrize( ""arg, output"", [ (None, []), ('', []), (0, []), ('a', ['a']), (['a', 'b'], ['a', 'b']) ], ) def test_file_cmp(self, arg: Any, output: List[Any]) -> None: """"""Tests :meth:`tools.to_list()` method. Args: arg: Element to be converted to a list. output: Expected returned list. """""" assert to_list(arg) == output, ""List returned differs from the one expected"" ","Python" "Codon","Ensembl/ensembl-compara","src/python/tests/test_citest.py",".py","8909","205","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Unit testing of :mod:`citest` module. The unit testing is divided into one test class per submodule/class found in this module, and one test method per public function/class method. Typical usage example:: $ pytest test_citest.py """""" from contextlib import ExitStack as does_not_raise from typing import ContextManager, Dict import pytest from pytest import raises from _pytest.fixtures import FixtureRequest from ensembl.compara.citest import CITestDBItem, CITestDBContentError, CITestDBGroupingError, \ CITestDBNumRowsError, CITestFilesItem, CITestFilesContentError, CITestFilesSizeError, CITestFilesTreeError from ensembl.compara.filesys import DirCmp @pytest.mark.parametrize(""multi_dbs"", [[{'src': 'citest/reference'}, {'src': 'citest/target'}]], indirect=True) class TestCITestDBItem: """"""Tests CITest's :class:`CITestDBItem` class. Attributes: db_item (CITestDBItem): Set of integration tests to compare a table in two (analogous) databases. """""" db_item = None # type: CITestDBItem # autouse=True makes this fixture be executed before any test_* method of this class, and scope='class' to # execute it only once per class parametrization @pytest.fixture(scope='class', autouse=True) def setup(self, request: FixtureRequest, multi_dbs: Dict) -> None: """"""Loads the required fixtures and values as class attributes. Args: request: Access to the requesting test context. multi_dbs: Dictionary of unit test databases (fixture). """""" # Use type(self) instead of self as a workaround to @classmethod decorator (unsupported by pytest and # required when scope is set to ""class"" ) type(self).db_item = CITestDBItem('', request.session, multi_dbs['reference'].dbc, multi_dbs['target'].dbc, 'main_table', {}) def test_missing_test(self): """"""Tests CITestDBItem's error handling if an unknown test is passed."""""" self.db_item.name = 'dummy' with raises(SyntaxError): self.db_item.runtest() @pytest.mark.parametrize( ""kwargs, expectation"", [ ({}, does_not_raise()), ({'group_by': 'grp'}, raises(CITestDBNumRowsError)), ({'variation': 0.5, 'group_by': 'grp'}, does_not_raise()), ({'group_by': ['grp', 'value']}, raises(CITestDBGroupingError)), ({'filter_by': 'value < 30'}, does_not_raise()), ({'filter_by': ['value < 30', 'grp = ""grp2""']}, raises(CITestDBNumRowsError)), ({'variation': 0.25, 'filter_by': ['value < 30', 'grp = ""grp2""']}, does_not_raise()), ({'group_by': 'grp', 'filter_by': 'value < 24'}, does_not_raise()), ], ) def test_num_rows_test(self, kwargs: Dict, expectation: ContextManager) -> None: """"""Tests :meth:`CITestDBItem.test_num_rows()` method. Args: kwargs: Named arguments to be passed to the method. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.ExitStack` if no exception is expected. """""" with expectation: self.db_item.test_num_rows(**kwargs) @pytest.mark.parametrize( ""kwargs, expectation"", [ ({}, raises(CITestDBContentError)), ({'columns': 'value'}, does_not_raise()), ({'columns': ['value', 'comment']}, raises(CITestDBContentError)), ({'ignore_columns': 'grp'}, raises(CITestDBContentError)), ({'ignore_columns': ['id', 'grp', 'comment']}, does_not_raise()), ({'columns': 'value', 'ignore_columns': 'grp'}, raises(TypeError)), ({'filter_by': 'grp = ""grp2""'}, raises(CITestDBNumRowsError)), ({'filter_by': ['value < 23', 'comment = ""Second group""']}, does_not_raise()), ({'columns': 'grp', 'filter_by': 'grp = ""grp3""'}, raises(CITestDBNumRowsError)), ({'ignore_columns': 'id', 'filter_by': 'value != 24'}, does_not_raise()), ], ) def test_content_test(self, kwargs: Dict, expectation: ContextManager) -> None: """"""Tests :meth:`CITestDBItem.test_content()` method. Args: kwargs: Named arguments to be passed to the method. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.ExitStack` if no exception is expected. """""" with expectation: self.db_item.test_content(**kwargs) @pytest.mark.parametrize(""dir_cmp"", [{'ref': 'citest/reference', 'target': 'citest/target'}], indirect=True) class TestCITestFilesItem: """"""Tests CITest's :class:`CITestFilesItem` class. Attributes: files_item (CITestFilesItem): Set of integration tests to compare two (analogous) files (or directories). """""" files_item = None # type: CITestFilesItem # autouse=True makes this fixture be executed before any test_* method of this class, and scope='class' to # execute it only once per class parametrization @pytest.fixture(scope='class', autouse=True) def setup(self, request: FixtureRequest, dir_cmp: DirCmp) -> None: """"""Loads the required fixtures and values as class attributes. Args: request: Access to the requesting test context. dir_cmp: Directory tree comparison (fixture). """""" # Use type(self) instead of self as a workaround to @classmethod decorator (unsupported by pytest and # required when scope is set to ""class"" ) type(self).files_item = CITestFilesItem('', request.session, dir_cmp, {}) def test_missing(self): """"""Tests CITestFilesItem's error handling if an unknown test is passed."""""" self.files_item.name = 'dummy' with raises(SyntaxError): self.files_item.runtest() @pytest.mark.parametrize( ""kwargs, expectation"", [ ({}, raises(CITestFilesSizeError)), ({'variation': 1.0}, raises(CITestFilesTreeError)), ({'patterns': 'c*'}, does_not_raise()), ({'patterns': ['a*', 'c*']}, raises(CITestFilesSizeError)), ({'paths': '1'}, raises(CITestFilesSizeError)), ({'paths': ['0', '2']}, raises(CITestFilesSizeError)), ({'patterns': 'c*', 'paths': '1'}, does_not_raise()), ({'variation': 1.0, 'patterns': 'b*', 'paths': '1'}, does_not_raise()), ], ) def test_size_test(self, kwargs: Dict, expectation: ContextManager) -> None: """"""Tests :meth:`CITestFilesItem.test_size()` method. Args: kwargs: Named arguments to be passed to the method. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.ExitStack` if no exception is expected. """""" with expectation: self.files_item.test_size(**kwargs) @pytest.mark.parametrize( ""kwargs, expectation"", [ ({}, raises(CITestFilesContentError)), ({'patterns': 'a*'}, raises(CITestFilesTreeError)), ({'patterns': ['a*', 'c*']}, raises(CITestFilesContentError)), ({'paths': '0'}, raises(CITestFilesTreeError)), ({'paths': ['0', '2']}, raises(CITestFilesContentError)), ({'patterns': 'a*', 'paths': '0'}, does_not_raise()), ], ) def test_content_test(self, kwargs: Dict, expectation: ContextManager) -> None: """"""Tests :meth:`CITestFilesItem.test_content()` method. Args: kwargs: Named arguments to be passed to the method. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.ExitStack` if no exception is expected. """""" with expectation: self.files_item.test_content(**kwargs) ","Python" "Codon","Ensembl/ensembl-compara","src/python/tests/test_repair_mlss_tags.py",".py","6541","148","# See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Unit testing of `repair_mlss_tags.py` script. Typical usage example:: $ pytest test_repair_mlss_tags.py """""" from contextlib import nullcontext as does_not_raise from pathlib import Path import subprocess from typing import ContextManager import pytest from sqlalchemy import text from ensembl.utils.database import DBConnection, UnitTestDB @pytest.mark.parametrize(""test_dbs"", [[{'src': 'pan'}]], indirect=True) class TestRepairMLSSTags: """"""Tests `repair_mlss_tags.py` script. Attributes: dbc (DBConnection): Database connection to the unit test database. """""" dbc: DBConnection = None # type: ignore # autouse=True makes this fixture be executed before any test_* method of this class, and scope='class' to # execute it only once per class parametrization @pytest.fixture(scope='class', autouse=True) def setup(self, test_dbs: dict[str, UnitTestDB]) -> None: """"""Loads the required fixtures and values as class attributes. Args: test_dbs: Unit test databases (fixture). """""" # Use type(self) instead of self as a workaround to @classmethod decorator (unsupported by pytest and # required when scope is set to ""class"" ) type(self).dbc = test_dbs[""pan""].dbc @pytest.mark.parametrize( ""mlss_tag, alt_queries, exp_stdout, exp_tag_value, expectation"", [ ('', [], set(['No repair option has been selected: Nothing to do']), {}, does_not_raise()), ('max_align', [], set(['']), {1: 161, 2: 163, 3: 139, 4: 52068, 5: 2452, 6: 37683, 7: 13002, 8: 825240, 9: 996143, 10: 9708}, does_not_raise()), ('msa_mlss_id', [], set(['']), {5: 4, 7: 6, 9: 8, 50001: 4, 50002: 6, 50003: 8}, does_not_raise()), ( 'max_align', [ ""UPDATE method_link_species_set_tag SET value = 1 "" ""WHERE method_link_species_set_id = 2 AND tag = 'max_align'"", ""DELETE FROM method_link_species_set_tag "" ""WHERE method_link_species_set_id = 6 AND tag = 'max_align'"", ""INSERT INTO method_link_species_set_tag VALUES (404, 'max_align', 1)"" ], set([ ""Repaired MLSS tag 'max_align' for MLSS id '2'"", ""Added missing MLSS tag 'max_align' for MLSS id '6'"", ""Deleted unexpected MLSS tag 'max_align' for MLSS id '404'"" ]), {1: 161, 2: 163, 3: 139, 4: 52068, 5: 2452, 6: 37683, 7: 13002, 8: 825240, 9: 996143, 10: 9708}, does_not_raise() ), ( 'msa_mlss_id', [ ""UPDATE method_link_species_set_tag SET value = 1 "" ""WHERE method_link_species_set_id = 5 AND tag = 'msa_mlss_id'"", ""DELETE FROM method_link_species_set_tag "" ""WHERE method_link_species_set_id = 50001 AND tag = 'msa_mlss_id'"", ""INSERT INTO method_link_species_set_tag VALUES (404, 'msa_mlss_id', 1)"" ], set([ ""Repaired MLSS tag 'msa_mlss_id' for MLSS id '5'"", ""Added missing MLSS tag 'msa_mlss_id' for MLSS id '50001'"", ""Deleted unexpected MLSS tag 'msa_mlss_id' for MLSS id '404'"" ]), {5: 4, 7: 6, 9: 8, 50001: 4, 50002: 6, 50003: 8}, does_not_raise() ), ] ) def test_repair_mlss_tag( self, mlss_tag: str, alt_queries: list[str], exp_stdout: set[str], exp_tag_value: dict[int, int], expectation: ContextManager ) -> None: """"""Tests `repair_mlss_tags.py` script, including its output. Args: mlss_tag: MLSS tag as found in the ``method_link_species_set_tag`` table. alt_queries: MySQL queries to alter the content of the database before running the test. exp_stdout: Expected messages printed in STDOUT. exp_tag_value: Expected MLSS id - value pairs for the given `mlss_tag` after the script is run. expectation: Context manager for the expected exception, i.e. the test will only pass if that exception is raised. Use :class:`~contextlib.nullcontext` if no exception is expected. """""" # Alter the MLSS tags table so there is something to repair with self.dbc.begin() as connection: connection.execute(text(""SET FOREIGN_KEY_CHECKS = 0"")) for sql in alt_queries: connection.execute(text(sql)) connection.execute(text(""SET FOREIGN_KEY_CHECKS = 1"")) # Run the repair_mlss_tags.py command cmd = [str(Path(__file__).parents[3] / 'scripts' / 'production' / 'repair_mlss_tags.py'), '--url', self.dbc.url] if mlss_tag: cmd.append(f'--{mlss_tag}') with expectation: # Check the information printed in STDOUT is as expected output = subprocess.check_output(cmd) assert set(output.decode().strip().split(""\n"")) == exp_stdout if exp_tag_value: # Check the database has the expected information with self.dbc.begin() as connection: result = connection.execute(text( f""SELECT method_link_species_set_id AS mlss_id, value "" f""FROM method_link_species_set_tag WHERE tag = '{mlss_tag}'"" )) curr_tag_value = {row.mlss_id: int(row.value) for row in result.fetchall()} assert curr_tag_value == exp_tag_value ","Python" "Codon","Ensembl/ensembl-compara","docs/rtd_upgrade.sh",".sh","2732","54","#!/bin/bash # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # Bail out if anything goes wrong set -e # Restart from a clean state rm -rf ""$1"" mkdir -p ""$1"" cd ""$1"" echo ISSUE cat /etc/issue echo PERLVERSION perl --version mkdir packages cd packages # List of extra packages we need echo http://archive.ubuntu.com/ubuntu/pool/main/libd/libdbi-perl/libdbi-perl_1.640-1_amd64.deb \ http://archive.ubuntu.com/ubuntu/pool/universe/libd/libdbd-sqlite3-perl/libdbd-sqlite3-perl_1.58-1_amd64.deb \ http://archive.ubuntu.com/ubuntu/pool/universe/libj/libjson-xs-perl/libjson-xs-perl_3.040-1_amd64.deb \ http://archive.ubuntu.com/ubuntu/pool/main/libj/libjson-perl/libjson-perl_2.90-1_all.deb \ http://archive.ubuntu.com/ubuntu/pool/universe/libc/libcommon-sense-perl/libcommon-sense-perl_3.74-2build2_amd64.deb \ http://archive.ubuntu.com/ubuntu/pool/main/libt/libtypes-serialiser-perl/libtypes-serialiser-perl_1.0-1_all.deb \ http://archive.ubuntu.com/ubuntu/pool/universe/libx/libxml-xpath-perl/libxml-xpath-perl_1.30-1_all.deb \ http://archive.ubuntu.com/ubuntu/pool/universe/libp/libparse-recdescent-perl/libparse-recdescent-perl_1.967013+dfsg-1_all.deb \ http://archive.ubuntu.com/ubuntu/pool/main/libi/libipc-run-perl/libipc-run-perl_0.94-1_all.deb \ http://archive.ubuntu.com/ubuntu/pool/main/libi/libio-pty-perl/libio-pty-perl_1.08-1.1build1_amd64.deb \ http://archive.ubuntu.com/ubuntu/pool/universe/libg/libgraphviz-perl/libgraphviz-perl_2.20-1_all.deb \ http://archive.ubuntu.com/ubuntu/pool/universe/d/doxypy/doxypy_0.4.2-1.1_all.deb \ http://archive.ubuntu.com/ubuntu/pool/universe/libp/libproc-daemon-perl/libproc-daemon-perl_0.23-1_all.deb \ http://archive.ubuntu.com/ubuntu/pool/universe/libd/libdbd-mysql-perl/libdbd-mysql-perl_4.046-1_amd64.deb \ http://security.ubuntu.com/ubuntu/pool/main/m/mysql-5.7/libmysqlclient20_5.7.28-0ubuntu0.18.04.4_amd64.deb \ http://archive.ubuntu.com/ubuntu/pool/main/m/mysql-defaults/mysql-common_5.8+1.0.4_all.deb \ | xargs -n 1 curl -O mkdir ../root for i in *.deb; do dpkg -x ""$i"" ../root/; done ","Shell" "Codon","Ensembl/ensembl-compara","docs/conf.py",".py","12623","398","# -*- coding: utf-8 -*- # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # ensembl-compara documentation build configuration file, created by # sphinx-quickstart on Thu Dec 15 12:59:35 2016. # # This file is execfile()d with the current directory set to its # containing dir. # # Note that not all possible configuration values are present in this # autogenerated file. # # All configuration values have a default; values that are commented out # serve to show the default. import sys import os import sphinx_rtd_theme import subprocess import datetime import shutil # If extensions (or modules to document with autodoc) are in another directory, # add these directories to sys.path here. If the directory is relative to the # documentation root, use os.path.abspath to make it absolute, like shown here. sys.path.insert(0, os.path.abspath('.')) # -- General configuration ------------------------------------------------ # If your documentation needs a minimal Sphinx version, state it here. #needs_sphinx = '1.0' # Add any Sphinx extension module names here, as strings. They can be # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom # ones. extensions = [ 'sphinx.ext.autodoc', 'sphinx.ext.coverage', 'sphinx.ext.imgmath', 'sphinx.ext.graphviz', 'xhive.code_doc', 'xhive.analysis_diagram', 'xhive.misc', 'xhive.pipeline', 'xhive.sql_schema', ] # Add any paths that contain templates here, relative to this directory. templates_path = ['_templates'] # Add markdown support from recommonmark.parser import CommonMarkParser source_parsers = { '.md': CommonMarkParser, } authors = [u'Ensembl'] # The suffix of source filenames. source_suffix = ['.rst', '.md'] # The encoding of source files. #source_encoding = 'utf-8-sig' # The master toctree document. master_doc = 'index' # General information about the project. project = u'Ensembl Compara documentation' project_lc = u'ensembl_compara_doc' copyright_owner = u'EMBL-European Bioinformatics Institute' copyright_dates = u'[2016-%d]' % datetime.datetime.now().year copyright = copyright_dates + ' ' + copyright_owner # The version info for the project you're documenting, acts as replacement for # |version| and |release|, also used in various other places throughout the # built documents. # # The short X.Y version. version = subprocess.check_output([""git"", ""name-rev"", ""--name-only"", ""HEAD""]) # The full version, including alpha/beta/rc tags. release = version if not os.path.islink('xhive'): ehive_target_dir = os.path.join(os.environ[""PWD""], os.path.pardir, ""ehive"") shutil.rmtree(ehive_target_dir, True) subprocess.check_call(['git', 'clone', '--branch', 'master', '--depth', '1', 'https://github.com/Ensembl/ensembl-hive.git', ehive_target_dir]) os.symlink(os.path.join(ehive_target_dir, ""docs"", ""xhive""), ""xhive"") else: subprocess.check_call(['git', 'pull'], cwd = ""xhive"") ehive_root_dir = os.path.join(os.path.realpath('xhive'), os.path.pardir, os.path.pardir) os.environ.setdefault(""ENSEMBL_ROOT_DIR"", """") from xhive import setup_if_needed setup_if_needed(release, False) os.environ[""EHIVE_ROOT_DIR""] = ehive_root_dir os.environ[""PERL5LIB""] = os.path.join(os.environ[""EHIVE_ROOT_DIR""], ""modules"") + os.path.pathsep + os.environ[""PERL5LIB""] # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. #language = None # There are two options for replacing |today|: either, you set today to some # non-false value, then it is used: #today = '' # Else, today_fmt is used as the format for a strftime call. today_fmt = '%B %d, %Y' # List of patterns, relative to source directory, that match files and # directories to ignore when looking for source files. exclude_patterns = ['_build'] # The reST default role (used for this markup: `text`) to use for all # documents. #default_role = None # If true, '()' will be appended to :func: etc. cross-reference text. #add_function_parentheses = True # If true, the current module name will be prepended to all description # unit titles (such as .. function::). #add_module_names = True # If true, sectionauthor and moduleauthor directives will be shown in the # output. They are ignored by default. #show_authors = False # The name of the Pygments (syntax highlighting) style to use. pygments_style = 'sphinx' # A list of ignored prefixes for module index sorting. #modindex_common_prefix = [] # If true, keep warnings as ""system message"" paragraphs in the built documents. #keep_warnings = False # -- Options for HTML output ---------------------------------------------- # The theme to use for HTML and HTML Help pages. See the documentation for # a list of builtin themes. html_theme = 'sphinx_rtd_theme' # Theme options are theme-specific and customize the look and feel of a theme # further. For a list of options available for each theme, see the # documentation. #html_theme_options = {} # Add any paths that contain custom themes here, relative to this directory. #html_theme_path = [] # The name for this set of Sphinx documents. If None, it defaults to # "" v documentation"". #html_title = None # A shorter title for the navigation bar. Default is the same as html_title. #html_short_title = None # The name of an image file (relative to this directory) to place at the top # of the sidebar. #html_logo = None # The name of an image file (within the static path) to use as favicon of the # docs. This file should be a Windows icon file (.ico) being 16x16 or 32x32 # pixels large. #html_favicon = None # Add any paths that contain custom static files (such as style sheets) here, # relative to this directory. They are copied after the builtin static files, # so a file named ""default.css"" will overwrite the builtin ""default.css"". html_static_path = ['_static'] # Add any extra paths that contain custom files (such as robots.txt or # .htaccess) here, relative to this directory. These files are copied # directly to the root of the documentation. #html_extra_path = [] # If not '', a 'Last updated on:' timestamp is inserted at every page bottom, # using the given strftime format. #html_last_updated_fmt = '%b %d, %Y' # If true, SmartyPants will be used to convert quotes and dashes to # typographically correct entities. #html_use_smartypants = True # Custom sidebar templates, maps document names to template names. #html_sidebars = {} # Additional templates that should be rendered to pages, maps page names to # template names. #html_additional_pages = {} # If false, no module index is generated. #html_domain_indices = True # If false, no index is generated. #html_use_index = True # If true, the index is split into individual pages for each letter. #html_split_index = False # If true, links to the reST sources are added to the pages. #html_show_sourcelink = True # If true, ""Created using Sphinx"" is shown in the HTML footer. Default is True. #html_show_sphinx = True # If true, ""(C) Copyright ..."" is shown in the HTML footer. Default is True. #html_show_copyright = True # If true, an OpenSearch description file will be output, and all pages will # contain a tag referring to it. The value of this option must be the # base URL from which the finished HTML is served. #html_use_opensearch = '' # This is the file name suffix for HTML files (e.g. "".xhtml""). #html_file_suffix = None # Output file base name for HTML help builder. htmlhelp_basename = project_lc # -- Options for LaTeX output --------------------------------------------- latex_elements = { # The paper size ('letterpaper' or 'a4paper'). #'papersize': 'letterpaper', # The font size ('10pt', '11pt' or '12pt'). #'pointsize': '10pt', # Additional stuff for the LaTeX preamble. 'preamble': r''' \usepackage{pdflscape} \usepackage{charter} \usepackage[defaultsans]{lato} \usepackage{inconsolata} \usepackage{verbatim} ''', } # Grouping the document tree into LaTeX files. List of tuples # (source start file, target name, title, # author, documentclass [howto, manual, or own class]). latex_documents = [ (master_doc, project_lc+'.tex', project, authors[0], 'manual'), ] # The name of an image file (relative to this directory) to place at the top of # the title page. #latex_logo = None # For ""manual"" documents, if this is true, then toplevel headings are parts, # not chapters. #latex_use_parts = False # If true, show page references after internal links. #latex_show_pagerefs = False # If true, show URL addresses after external links. #latex_show_urls = False # Documents to append as an appendix to all manuals. #latex_appendices = [] # If false, no module index is generated. #latex_domain_indices = True # -- Options for manual page output --------------------------------------- # One entry per manual page. List of tuples # (source start file, name, description, authors, manual section). man_pages = [ (master_doc, project_lc, project, authors, 1) ] # If true, show URL addresses after external links. #man_show_urls = False # -- Options for Texinfo output ------------------------------------------- # Grouping the document tree into Texinfo files. List of tuples # (source start file, target name, title, author, # dir menu entry, description, category) texinfo_documents = [ (master_doc, project_lc, project, authors[0], project_lc, 'One line description of project.', 'Miscellaneous'), ] # Documents to append as an appendix to all manuals. #texinfo_appendices = [] # If false, no module index is generated. #texinfo_domain_indices = True # How to display URL addresses: 'footnote', 'no', or 'inline'. #texinfo_show_urls = 'footnote' # If true, do not generate a @detailmenu in the ""Top"" node's menu. #texinfo_no_detailmenu = False # -- Options for Epub output ---------------------------------------------- # Bibliographic Dublin Core info. epub_title = project epub_author = authors[0] epub_publisher = copyright_owner epub_copyright = copyright # The basename for the epub file. It defaults to the project name. epub_basename = project_lc # The HTML theme for the epub output. Since the default themes are not optimized # for small screen space, using the same theme for HTML and epub output is # usually not wise. This defaults to 'epub', a theme designed to save visual # space. #epub_theme = 'epub' # The language of the text. It defaults to the language option # or en if the language is not set. #epub_language = '' # The scheme of the identifier. Typical schemes are ISBN or URL. #epub_scheme = '' # The unique identifier of the text. This can be a ISBN number # or the project homepage. #epub_identifier = '' # A unique identification for the text. #epub_uid = '' # A tuple containing the cover image and cover page html template filenames. #epub_cover = () # A sequence of (type, uri, title) tuples for the guide element of content.opf. #epub_guide = () # HTML files that should be inserted before the pages created by sphinx. # The format is a list of tuples containing the path and title. #epub_pre_files = [] # HTML files shat should be inserted after the pages created by sphinx. # The format is a list of tuples containing the path and title. #epub_post_files = [] # A list of files that should not be packed into the epub file. epub_exclude_files = ['search.html'] # The depth of the table of contents in toc.ncx. #epub_tocdepth = 3 # Allow duplicate toc entries. #epub_tocdup = True # Choose between 'default' and 'includehidden'. #epub_tocscope = 'default' # Fix unsupported image types using the PIL. #epub_fix_images = False # Scale large images. #epub_max_image_width = 0 # How to display URL addresses: 'footnote', 'no', or 'inline'. #epub_show_urls = 'inline' # If false, no index is generated. #epub_use_index = True # Add overriding stylesheets, searching in html_static_path # (see https://github.com/rtfd/sphinx_rtd_theme/issues/117) def setup(app): app.add_stylesheet(""theme_overrides.css"") ","Python" "Codon","Ensembl/ensembl-compara","docs/api.md",".md","1061","30","# Perl API There is extensive documentation of our Perl modules on the [Ensembl website](https://www.ensembl.org/info/docs/Doxygen/compara-api/namespaceBio_1_1EnsEMBL_1_1Compara.html), together with a [tutorial](https://www.ensembl.org/info/docs/api/compara/compara_tutorial.html). Materials from our latest Perl API courses can be found on [GitHub](https://github.com/Ensembl/ensembl-presentation/tree/master/API/Compara) (course based on Ensembl 84) and the [Ensembl training site](https://training.ensembl.org/events/2017/2017-02-09-APITaiwan) (course based on Ensembl 87). # REST API There is documentation about each endpoint on our [REST server](https://rest.ensembl.org/). Materials from our latest Perl API courses can be found on the [Ensembl training site](https://training.ensembl.org/events/2017/2017-11-27-REST_API_EBI_Nov) (course based on Ensembl 90). A Python-oriented course is now available on the [Ensembl training site](https://training.ensembl.org/events/2018/2018-07-12-REST_API_EBI). ![e!Compara word cloud](ebang-wordcloud.png) ","Markdown" "Codon","Ensembl/ensembl-compara","docs/production/READMEs/test_db.md",".md","2661","59","# Instructions to make a new test database for homologies You'll need the ensembl-hive scripts to be set up in your $PATH, and the environment variables $ENSADMIN\_PSW and $ENSEMBL\_CVS\_ROOT\_DIR. ## Test database for the REST API 1. Define a url ```bash export _TEST_DB_URL=mysql://ensadmin:${ENSADMIN_PSW}@compara5/mm14_homology_test_db_85 ``` 2. Create the database ```bash db_cmd.pl -url ${_TEST_DB_URL} -sql 'DROP DATABASE IF EXISTS' db_cmd.pl -url ${_TEST_DB_URL} -sql 'CREATE DATABASE' db_cmd.pl -url ${_TEST_DB_URL} < ${ENSEMBL_ROOT_DIR}/ensembl-compara/sql/table.sql ``` 3. Import the data This will copy data from cc21\_ensembl\_compara\_84 to the test database, following the foreign keys found in cc21\_compara\_nctrees\_85 (this is needed because neither the source nor the target databases are in InnoDB and have foreign keys). We copy two gene-trees: ENSGT00390000003602 -BRCA2- and RF01299 -SNORD2-. ```bash standaloneJob.pl Bio::EnsEMBL::Compara::RunnableDB::CopyDataWithFK -foreign_keys_db mysql://ensro@compara3/cc21_compara_nctrees_85 -db_conn mysql://ensro@compara5/cc21_ensembl_compara_84 -rfam_model_id RF01299 -protein_tree_stable_id ENSGT00390000003602 -compara_db $_TEST_DB_URL ``` RF00012 is a good example of a gene-tree with a super-tree, but it is obviously pretty big. ENSFM00730001521062 is a good example of a Family. TODO: replace with PTHR 4. Delete unwanted stuff ```bash for i in species_tree_node_attr species_tree_node_tag method_link_species_set_tag gene_tree_root_attr do echo ""TRUNCATE $i;"" done | db_cmd.pl -url $_TEST_DB_URL db_cmd.pl -url $_TEST_DB_URL -sql 'DELETE FROM gene_tree_root_tag WHERE tag NOT LIKE ""model\_%""' db_cmd.pl -url $_TEST_DB_URL -sql 'DELETE FROM other_member_sequence WHERE seq_type != ""cds""' db_cmd.pl -url $_TEST_DB_URL -sql 'DELETE gene_align_member FROM gene_align JOIN gene_align_member USING (gene_align_id) WHERE seq_type != ""cds""' db_cmd.pl -url $_TEST_DB_URL -sql 'DELETE FROM gene_align WHERE seq_type != ""cds""' db_cmd.pl -url $_TEST_DB_URL -sql 'DELETE FROM other_member_sequence WHERE seq_type != ""cds""' ``` 5. Dump ```bash db_cmd.pl -url $_TEST_DB_URL -executable $ENSEMBL_ROOT_DIR/ensembl/misc-scripts/db/dump_mysql.pl -- --database mm14_homology_test_db_85 --verbose --testcompatible --directory dump_directory ``` Then edit the sql file and add `CHARSET=latin1` to the meta and external\_db tables. 6. Manual edits * To match the genes found in the human core database, I renamed a gene stable ID in the compara database * To make some aligned strings different, I manually edited some cigar lines ","Markdown" "Codon","Ensembl/ensembl-compara","scripts/hal_alignment/hal_cov_one_seq_chunk.py",".py","6659","203","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Calculate genomic coverage for a sequence chunk in a HAL file."""""" from argparse import ArgumentParser import json from pathlib import Path import re import subprocess from tempfile import SpooledTemporaryFile from typing import Dict, Iterable, TextIO, Union def hal_genomic_coverage( hal_path: Union[Path, str], ref_genome: str, ref_sequence: str, start: int, length: int, target_genomes: Iterable[str], hal_alignment_depth_exe: Union[Path, str] = ""halAlignmentDepth"", ) -> Dict: """"""Uses halAlignmentDepth to get genomic coverage for the given sequence chunk. Args: hal_path: Input HAL file. ref_genome: Reference genome against which coverage is calculated. ref_sequence: Sequence in reference genome for which coverage is calculated. start: Start of sequence chunk for which coverage is calculated. length: Length of sequence chunk for which coverage is calculated. target_genomes: Target genomes to be considered for genomic coverage calculation. hal_alignment_depth_exe: Path of halAlignmentDepth executable. By default, assumed to be available via the PATH environment variable. Returns: Dictionary of genomic coverage stats for the specified reference genome sequence chunk. """""" cmd_args = [ hal_alignment_depth_exe, hal_path, ref_genome, ""--noAncestors"", ""--refSequence"", ref_sequence, ""--targetGenomes"", "","".join(target_genomes), ""--start"", str(start), ""--length"", str(length), ] rollover_limit = 10_485_760 with SpooledTemporaryFile(max_size=rollover_limit, mode=""w+t"") as tmp_file_obj: try: subprocess.run( cmd_args, stdout=tmp_file_obj, text=True, encoding=""ascii"", check=True ) except subprocess.CalledProcessError as exc: status_type = ""exit code"" if exc.returncode > 0 else ""signal"" raise RuntimeError( f""halAlignmentDepth terminated with {status_type} {abs(exc.returncode)}"" f"" for sequence '{ref_sequence}' of genome 'ref_genome'"" ) from exc tmp_file_obj.flush() tmp_file_obj.seek(0) result_part = load_genomic_coverage_wiggle(tmp_file_obj) return result_part[ref_sequence] def load_genomic_coverage_wiggle( wiggle_file_obj: Union[SpooledTemporaryFile, TextIO] ) -> Dict: """"""Load data from wiggle file generated by halAlignmentDepth. Args: wiggle_file_obj: Input wiggle file object. Returns: Nested dictionary of coverage stats, with the key being the sequence name, and the value being a dictionary of coverage stats for that sequence. """""" declaration_line_re = re.compile( r""fixedStep chrom=(?P\S+) start=(?P[0-9]+) step=(?P[0-9]+)\s*"" ) cov_stats = {} curr_seq_name = None for line in wiggle_file_obj: try: aligned_genome_count = int(line) except ValueError as exc: if match := declaration_line_re.fullmatch(line): curr_seq_name = match[""chrom""] if curr_seq_name in cov_stats: raise ValueError( f""multiple occurrences of sequence '{curr_seq_name}' found"" ) from exc cov_stats[curr_seq_name] = { ""num_aligned_positions"": 0, ""num_positions"": 0, ""start"": int(match[""start""]), ""step"": int(match[""step""]), } elif line.startswith(""variableStep""): raise ValueError(""variableStep blocks not supported"") from exc else: raise ValueError(f""failed to parse wiggle line: {line}"") from exc else: if aligned_genome_count > 0: cov_stats[curr_seq_name][""num_aligned_positions""] += 1 cov_stats[curr_seq_name][""num_positions""] += 1 return cov_stats def main() -> None: """"""Main function of script."""""" parser = ArgumentParser(description=__doc__) parser.add_argument(""hal_path"", help=""Input HAL file."") parser.add_argument( ""ref_genome"", help=""Name of genome for which genomic coverage is calculated."" ) parser.add_argument( ""--ref-sequence"", metavar=""STR"", help=""Name of sequence for which genomic coverage is calculated."", ) parser.add_argument( ""--start"", metavar=""INT"", required=True, type=int, help=""Start of sequence chunk (0-based)."", ) parser.add_argument( ""--length"", metavar=""INT"", required=True, type=int, help=""Length of sequence chunk."", ) parser.add_argument( ""--target-genomes"", metavar=""STR"", required=True, help=""Comma-separated list of target genomes."", ) parser.add_argument( ""--hal_alignment_depth_exe"", metavar=""STR"", help=""Path of halAlignmentDepth executable. By default, assumed"" "" to be available via the PATH environment variable."", ) args = parser.parse_args() hal_cov_result = hal_genomic_coverage( args.hal_path, args.ref_genome, args.ref_sequence, args.start, args.length, args.target_genomes.split("",""), hal_alignment_depth_exe=args.hal_alignment_depth_exe, ) obs_num_positions = hal_cov_result[""num_positions""] if obs_num_positions != args.length: raise ValueError( f""sequence-length mismatch: {obs_num_positions} vs {args.length}"" ) output = { ""num_positions"": obs_num_positions, ""num_aligned_positions"": hal_cov_result[""num_aligned_positions""], } print(json.dumps(output)) if __name__ == ""__main__"": main() ","Python" "Codon","Ensembl/ensembl-compara","scripts/hal_alignment/process_cactus_maf.py",".py","8227","213","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Process Cactus MAF file according to specified parameters."""""" import argparse import json import os import shutil from tempfile import TemporaryDirectory from typing import Iterator, TextIO from Bio.Align import MultipleSeqAlignment from Bio.AlignIO.MafIO import MafIterator, MafWriter from Bio.Seq import Seq import numpy as np def _make_overhang_column_mask(aln_block: MultipleSeqAlignment, block_arr: np.ndarray) -> np.ndarray: """"""Returns an overhang column mask for the input alignment block. The overhang column mask is expected to be used to filter overhang columns at either end of the alignment block. If an overhang is identified at the start of the block, this function will also update the annotations of the input alignment block so that they reflect the overhang removal. Args: aln_block: Input multiple sequence alignment block. block_arr: A NumPy array of sequence data for ``aln_block``. Due to the way this internal function is used, this array does not necessarily have the same number of columns as ``aln_block``. Returns: An overhang column mask, which may be used to remove overhang columns from the input alignment. """""" gap_mask = block_arr.transpose() == b""-"" gap_mask_first_col = gap_mask[0] gap_mask_final_col = gap_mask[-1] num_rows = len(aln_block) num_cols = len(gap_mask) if num_rows > 1 and num_cols > 1: left_overhang_found = gap_mask_first_col.sum() == num_rows - 1 right_overhang_found = gap_mask_final_col.sum() == num_rows - 1 else: left_overhang_found = right_overhang_found = False overhang_mask = np.zeros((num_cols,), dtype=bool) if left_overhang_found or right_overhang_found: col_idxs = range(num_cols) if left_overhang_found: for col_idx in col_idxs: if not np.array_equal(gap_mask[col_idx], gap_mask_first_col): first_non_overhang_col_idx = col_idx break overhang_mask[:first_non_overhang_col_idx] = True left_overhang_length = first_non_overhang_col_idx left_overhang_row_idx = int(np.flatnonzero(~gap_mask_first_col)[0]) left_overhang_row = aln_block[left_overhang_row_idx] left_overhang_row.annotations[""size""] -= left_overhang_length left_overhang_row.annotations[""start""] += left_overhang_length if right_overhang_found: for col_idx in reversed(col_idxs): if not np.array_equal(gap_mask[col_idx], gap_mask_final_col): final_non_overhang_col_idx = col_idx break overhang_mask[final_non_overhang_col_idx + 1 :] = True right_overhang_length = num_cols - (final_non_overhang_col_idx + 1) right_overhang_row_idx = int(np.flatnonzero(~gap_mask_final_col)[0]) right_overhang_row = aln_block[right_overhang_row_idx] right_overhang_row.annotations[""size""] -= right_overhang_length return overhang_mask def trimming_maf_iterator(stream: TextIO) -> Iterator[MultipleSeqAlignment]: """"""Yields a MAF block with gap-only and overhang columns trimmed out."""""" for aln_block in MafIterator(stream): gap_arrays =[np.array([b""-""]) for _ in range(len(aln_block))] gap_column = np.vstack(gap_arrays) block_arr = np.array(aln_block, dtype=bytes) gap_col_mask = (block_arr == gap_column).all(axis=0) gap_cols_found = gap_col_mask.any() if gap_cols_found: block_arr = block_arr[:, ~gap_col_mask] overhang_col_mask = _make_overhang_column_mask(aln_block, block_arr) overhang_found = overhang_col_mask.any() if overhang_found: block_arr = block_arr[:, ~overhang_col_mask] if gap_cols_found or overhang_found: for row_arr, aln_row in zip(block_arr, aln_block): aln_row.seq = Seq(row_arr.tobytes().decode(""ascii"")) yield aln_block if __name__ == ""__main__"": parser = argparse.ArgumentParser(description=__doc__) parser.add_argument(""input_maf"", help=""Input MAF file."") parser.add_argument(""processed_maf"", help=""Output processed MAF file."") parser.add_argument( ""--min-block-rows"", metavar=""INT"", type=int, default=2, help=""Minimum number of alignment rows per block."", ) parser.add_argument( ""--min-block-cols"", metavar=""INT"", type=int, default=20, help=""Minimum number of alignment columns per block."", ) parser.add_argument( ""--min-seq-length"", metavar=""INT"", type=int, default=5, help=""Minimum unaligned sequence length of each aligned sequence."", ) parser.add_argument( ""--expected-block-count"", metavar=""INT"", type=int, help=""Expected number of alignment blocks in input MAF file."", ) parser.add_argument( ""--dataflow-file"", help=""Optional dataflow JSON file."", ) args = parser.parse_args() stats_col_names = [ ""block_count_before_processing"", ""block_count_after_processing"", ""seq_count_after_processing"", ] stats = dict.fromkeys(stats_col_names, 0) with TemporaryDirectory() as tmp_dir: temp_maf = os.path.join(tmp_dir, ""temp.maf"") with ( open(args.input_maf, encoding=""utf-8"") as in_file_obj, open(temp_maf, ""w"", encoding=""utf-8"") as out_file_obj, ): writer = MafWriter(out_file_obj) writer.write_header() # The trimming_maf_iterator is not the most elegant or speedy solution, but # we need to remove gap-only columns before we apply any other filters. for maf_block in trimming_maf_iterator(in_file_obj): stats[""block_count_before_processing""] += 1 if maf_block.get_alignment_length() < args.min_block_cols: continue processed_block = MultipleSeqAlignment([]) for rec in maf_block: if rec.annotations[""size""] < args.min_seq_length: continue processed_block.append(rec) if len(processed_block) < args.min_block_rows: continue writer.write_alignment(processed_block) stats[""seq_count_after_processing""] += len(processed_block) stats[""block_count_after_processing""] += 1 if args.expected_block_count: if stats[""block_count_before_processing""] != args.expected_block_count: raise RuntimeError( f""Number of input blocks ({stats['block_count_before_processing']}) does"" f"" not match expected block count ({args.expected_block_count})"" ) shutil.move(temp_maf, args.processed_maf) if args.dataflow_file: dataflow_branch = 2 dataflow_json = json.dumps( { ""maf_file"": args.processed_maf, ""maf_block_count"": stats[""block_count_after_processing""], ""maf_seq_count"": stats[""seq_count_after_processing""], } ) dataflow_event = f""{dataflow_branch} {dataflow_json}"" with open(args.dataflow_file, ""w"", encoding=""utf-8"") as out_file_obj: print(dataflow_event, file=out_file_obj) ","Python" "Codon","Ensembl/ensembl-compara","scripts/hal_alignment/hal_gene_liftover.py",".py","7773","211","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Do a liftover between two haplotypes in a HAL file. Examples:: # Do a liftover from GRCh38 to CHM13 of the human INS gene # along with 5 kb upstream and downstream flanking regions. python hal_gene_liftover.py --src-region chr11:2159779-2161221:-1 \ --flank 5000 input.hal GRCh38 CHM13 output.psl # Do a liftover from GRCh38 to CHM13 of the # features specified in an input BED file. python hal_gene_liftover.py --src-bed-file input.bed \ --flank 5000 input.hal GRCh38 CHM13 output.psl """""" from argparse import ArgumentParser import os from pathlib import Path import re from subprocess import PIPE, Popen, run from tempfile import TemporaryDirectory from typing import Dict, Iterable, Mapping, NamedTuple, Union #import pybedtools # type: ignore class SimpleRegion(NamedTuple): """"""A simple region."""""" chrom: str start: int end: int strand: str def load_chr_sizes(hal_file: Union[Path, str], genome_name: str) -> Dict[str, int]: """"""Load chromosome sizes from an input HAL file. Args: hal_file: Input HAL file. genome_name: Name of the genome to get the chromosome sizes of. Returns: Dictionary mapping chromosome names to their lengths. """""" cmd = ['halStats', '--chromSizes', genome_name, hal_file] process = run(cmd, check=True, capture_output=True, text=True, encoding='ascii') chr_sizes = {} for line in process.stdout.splitlines(): chr_name, chr_size = line.rstrip().split('\t') chr_sizes[chr_name] = int(chr_size) return chr_sizes # pylint: disable-next=c-extension-no-member def make_src_region_file(regions: Iterable[SimpleRegion], chr_sizes: Mapping[str, int], bed_file: Union[Path, str], flank_length: int = 0) -> None: """"""Make source region file. Args: regions: Regions to write to output file. chr_sizes: Mapping of chromosome names to their lengths. bed_file: Path of BED file to output. flank_length: Length of upstream/downstream flanking regions to request. Raises: ValueError: If any region has an unknown chromosome or invalid coordinates, or if `flank_length` is negative. """""" if flank_length < 0: raise ValueError(f""'flank_length' must be greater than or equal to 0: {flank_length}"") with open(bed_file, 'w') as f: name = '.' score = 0 # halLiftover requires an integer score in BED input for region in regions: try: chr_size = chr_sizes[region.chrom] except KeyError as e: raise ValueError(f""chromosome ID not found in input file: '{region.chrom}'"") from e if region.start < 0: raise ValueError(f'region start must be greater than or equal to 0: {region.start}') if region.end > chr_size: raise ValueError(f'region end ({region.end}) must not be greater than the' f' corresponding chromosome length ({region.chrom}: {chr_size})') flanked_start = max(0, region.start - flank_length) flanked_end = min(region.end + flank_length, chr_size) fields = [region.chrom, flanked_start, flanked_end, name, score, region.strand] print('\t'.join(str(x) for x in fields), file=f) def parse_region(region: str) -> SimpleRegion: """"""Parse a region string. Args: region: Region string. Returns: A SimpleRegion object. Raises: ValueError: If `region` is an invalid region string. """""" seq_region_regex = re.compile( r'^(?P[^:]+):(?P[0-9]+)-(?P[0-9]+):(?P.+)$' ) match = seq_region_regex.match(region) try: region_chr = match['chr'] # type: ignore match_start = int(match['start']) # type: ignore region_end = int(match['end']) # type: ignore match_strand = match['strand'] # type: ignore except TypeError as e: raise ValueError(f""region '{region}' could not be parsed"") from e if match_start < 1: raise ValueError(f'region start must be greater than or equal to 1: {match_start}') region_start = match_start - 1 if match_strand == '1': region_strand = '+' elif match_strand == '-1': region_strand = '-' else: raise ValueError(f""region '{region}' has invalid strand: '{match_strand}'"") if region_start >= region_end: raise ValueError(f""region '{region}' has inverted/empty interval"") return SimpleRegion(region_chr, region_start, region_end, region_strand) if __name__ == '__main__': parser = ArgumentParser(description='Performs a gene liftover between two haplotypes in a HAL file.') parser.add_argument('hal_file', help=""Input HAL file."") parser.add_argument('src_genome', help=""Source genome name."") parser.add_argument('dest_genome', help=""Destination genome name."") parser.add_argument('output_file', help=""Output file."") parser.add_argument('--src-region', required=True, help=""Region to liftover."") #group = parser.add_mutually_exclusive_group(required=True) #group.add_argument('--src-region', help=""Region to liftover."") #group.add_argument('--src-bed-file', help=""BED file containing regions to liftover."") parser.add_argument('--flank', default=0, type=int, help=""Requested length of upstream/downstream"" "" flanking regions to include in query."") args = parser.parse_args() with TemporaryDirectory() as tmp_dir: query_bed_file = os.path.join(tmp_dir, 'src_regions.bed') src_regions = [parse_region(args.src_region)] #if args.src_region is not None: # src_regions = [parse_region(args.src_region)] #else: # i.e. bed_file is not None # src_regions = pybedtools.BedTool(args.src_bed_file) src_chr_sizes = load_chr_sizes(args.hal_file, args.src_genome) make_src_region_file(src_regions, src_chr_sizes, query_bed_file, flank_length=args.flank) # halLiftover --outPSL in.hal GRCh38 in.bed CHM13 stdout | pslPosTarget stdin out.psl cmd1 = ['halLiftover', '--outPSL', args.hal_file, args.src_genome, query_bed_file, args.dest_genome, 'stdout'] cmd2 = ['pslPosTarget', 'stdin', args.output_file] with Popen(cmd1, stdout=PIPE) as p1: with Popen(cmd2, stdin=p1.stdout) as p2: p2.wait() if p2.returncode != 0: status_type = 'exit code' if p2.returncode > 0 else 'signal' raise RuntimeError( f'pslPosTarget terminated with {status_type} {abs(p2.returncode)}') p1.wait() if p1.returncode != 0: status_type = 'exit code' if p1.returncode > 0 else 'signal' raise RuntimeError( f'halLiftover terminated with {status_type} {abs(p1.returncode)}') ","Python" "Codon","Ensembl/ensembl-compara","scripts/production/list_configured_genomes.py",".py","2873","67","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Update an allowed-species JSON file from an MLSS config file. This script requires that all the relevant genomes in the MLSS config file have been configured with genome elements. """""" import argparse import json from lxml import etree def make_allowed_species_from_mlss_conf(mlss_conf_file: str, allowed_sp_file: str) -> None: """"""Make allowed species from mlss_conf.xml file. Args: mlss_conf_file: Input mlss_conf.xml file in which collections are exclusively configured with 'genome' elements. allowed_sp_file: Output allowed-species JSON file. """""" prod_names = set() with open(mlss_conf_file, encoding=""ascii"") as in_file_obj: xml_tree = etree.parse(in_file_obj) # pylint: disable=c-extension-no-member root_elem = xml_tree.getroot() for collection_elem in root_elem.findall("".//collection""): collection_name = collection_elem.attrib[""name""] for child_elem in collection_elem.getchildren(): if child_elem.tag is etree.Comment: # pylint: disable=c-extension-no-member continue if child_elem.tag == ""genome"": if child_elem.attrib.get(""exclude"", False): continue prod_names.add(child_elem.attrib[""name""]) else: raise ValueError( f""cannot list allowed species - child of collection '{collection_name}'"" f"" is a '{child_elem.tag}' element, but must be a 'genome' element"" ) allowed_species = sorted(prod_names) with open(allowed_sp_file, ""w"", encoding=""ascii"") as out_file_obj: json.dump(allowed_species, out_file_obj, indent=4) out_file_obj.write(""\n"") if __name__ == ""__main__"": parser = argparse.ArgumentParser(description=__doc__) parser.add_argument(""mlss_conf_file"", metavar=""PATH"", help=""Input MLSS config file."") parser.add_argument(""allowed_species_file"", metavar=""PATH"", help=""Output allowed-species file."") args = parser.parse_args() make_allowed_species_from_mlss_conf(args.mlss_conf_file, args.allowed_species_file) ","Python" "Codon","Ensembl/ensembl-compara","scripts/production/lastz_coverage_stats.py",".py","7374","236","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""This script obtains lastz coverage statistics for a release or lastz db. To get relevant statistics from release DB use the --release flag. Example command: #Lastz db: ./lastz_coverage_stats.py url output_file #Release db: ./lastz_coverage_stats.py url output_file --release release_version """""" import argparse import csv from collections import defaultdict from sqlalchemy import create_engine, text get_lastz_mlss_from_first_release = """""" SELECT method_link_species_set_id FROM method_link_species_set WHERE method_link_id = 16 AND first_release = :release; """""" # The method_link_id 16 is intended to match LASTZ_NET method_link_type in this script. get_mlss_for_rerun_tags = """""" SELECT mlss_tag.method_link_species_set_id FROM method_link_species_set_tag AS mlss_tag INNER JOIN method_link_species_set AS mlss USING (method_link_species_set_id) WHERE mlss_tag.tag IN (:rerun_tag, :patched_tag) AND mlss.method_link_id = 16; """""" get_mlss_from_lastz_db = """""" SELECT method_link_species_set_id FROM method_link_species_set WHERE method_link_id = 16; """""" get_query_for_results = """""" SELECT method_link_species_set_id, tag, value FROM method_link_species_set_tag WHERE method_link_species_set_id IN :mlss_ids AND tag IN ( 'reference_species', 'ref_genome_coverage', 'ref_genome_length', 'non_reference_species', 'non_ref_genome_coverage', 'non_ref_genome_length' ); """""" def calculate_coverage_ratios(results): """""" Calculate the coverage ratios from the query results. Args: results: The query results. Returns: A list of dictionaries with the calculated coverage ratios. """""" data = defaultdict(dict) for mlss, tag, value in results: data[mlss][tag] = value calculated_results = [] for mlss, tags in data.items(): ref_genome_coverage = tags.get(""ref_genome_coverage"") ref_genome_length = tags.get(""ref_genome_length"") if ref_genome_coverage is not None and ref_genome_length is not None: ref_coverage_ratio = ( int(ref_genome_coverage) / int(ref_genome_length) ) * 100 else: ref_coverage_ratio = float(""nan"") non_ref_genome_coverage = tags.get(""non_ref_genome_coverage"") non_ref_genome_length = tags.get(""non_ref_genome_length"") if non_ref_genome_coverage is not None and non_ref_genome_length is not None: non_ref_coverage_ratio = ( int(non_ref_genome_coverage) / int(non_ref_genome_length) ) * 100 else: non_ref_coverage_ratio = float(""nan"") calculated_results.append( { ""mlss"": mlss, ""reference_species"": tags.get(""reference_species""), ""ref_genome_coverage"": tags.get(""ref_genome_coverage""), ""ref_coverage_ratio"": round(ref_coverage_ratio, 4), ""non_reference_species"": tags.get(""non_reference_species""), ""non_ref_genome_coverage"": tags.get(""non_ref_genome_coverage""), ""non_ref_coverage_ratio"": round(non_ref_coverage_ratio, 4), } ) return calculated_results def write_to_tsv(filename, results): """""" Write the calculated results to a TSV file. Args: filename: The name of the TSV file. results: The calculated results to write. """""" with open(filename, ""w"", newline="""", encoding=""utf-8"") as tsvfile: writer = csv.writer(tsvfile, delimiter=""\t"") writer.writerow( [ ""mlss"", ""reference_species"", ""ref_genome_coverage"", ""ref_coverage_ratio"", ""non_reference_species"", ""non_ref_genome_coverage"", ""non_ref_coverage_ratio"", ] ) for row in results: writer.writerow( [ row[""mlss""], row[""reference_species""], row[""ref_genome_coverage""], row[""ref_coverage_ratio""], row[""non_reference_species""], row[""non_ref_genome_coverage""], row[""non_ref_coverage_ratio""], ] ) def process_database(url, output_file, release=None): """""" Process the database to retrieve coverage ratios and write the result to a TSV file. Args: url: The database URL. output_file: The name of the output TSV file. release: The release version (optional). """""" engine = create_engine(url) with engine.connect() as connection: if release is None: initial_result = connection.execute(text(get_mlss_from_lastz_db)) mlss_ids = [row[0] for row in initial_result] else: param_release = {""release"": release} get_first_release_ids = connection.execute( text(get_lastz_mlss_from_first_release), param_release ) mlss_ids = [row[0] for row in get_first_release_ids] params_rerun_tags = { ""rerun_tag"": f""rerun_in_{release}"", ""patched_tag"": f""patched_in_{release}"", } get_rerun_mlsses = connection.execute( text(get_mlss_for_rerun_tags), params_rerun_tags ) mlss_ids.extend([row[0] for row in get_rerun_mlsses]) if mlss_ids: param_ids = {""mlss_ids"": mlss_ids} result_query = connection.execute(text(get_query_for_results), param_ids) calculated_results = calculate_coverage_ratios(result_query) write_to_tsv(output_file, calculated_results) def main(): """""" Main function to parse user input and process the database. """""" parser = argparse.ArgumentParser( description=""Process database and write coverage ratios to TSV file."" ) parser.add_argument(""url"", type=str, help=""The database URL."") parser.add_argument( ""output_file"", type=str, help=""The name of the output TSV file."" ) parser.add_argument( ""--release"", type=int, default=None, help=""The release version (optional)."" ) args = parser.parse_args() process_database(args.url, args.output_file, args.release) if __name__ == ""__main__"": main() ","Python" "Codon","Ensembl/ensembl-compara","scripts/production/list_must_reuse_species.py",".py","4155","111","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Generate list of must-reuse species. Example:: # To list species that must be reused in release 111: ${ENSEMBL_ROOT_DIR}/ensembl-compara/scripts/production/list_must_reuse_species.py \ --input-file ${ENSEMBL_ROOT_DIR}/ensembl-compara/conf/metazoa/must_reuse_collections.json \ --mlss-conf-file ${ENSEMBL_ROOT_DIR}/ensembl-compara/conf/metazoa/mlss_conf.xml \ --ensembl-release 111 \ --output-file must_reuse_species.json # To list species that must always be reused, assuming the # current collections are updated in alternating releases: ${ENSEMBL_ROOT_DIR}/ensembl-compara/scripts/production/list_must_reuse_species.py \ --input-file ${ENSEMBL_ROOT_DIR}/ensembl-compara/conf/metazoa/must_reuse_collections.json \ --mlss-conf-file ${ENSEMBL_ROOT_DIR}/ensembl-compara/conf/metazoa/mlss_conf.xml \ --ensembl-release all \ --output-file always_reuse_species.json """""" import argparse from collections import defaultdict import itertools import json from lxml import etree if __name__ == ""__main__"": parser = argparse.ArgumentParser(description=""Generate list of must-reuse species."") parser.add_argument( ""-i"", ""--input-file"", metavar=""PATH"", required=True, help=""Input reused collection config file."", ) parser.add_argument( ""--mlss-conf-file"", metavar=""PATH"", required=True, help=""Input MLSS conf file."", ) parser.add_argument( ""--ensembl-release"", metavar=""VALUE"", required=True, help=""Ensembl release, or 'all' to list 'always-reused' species."", ) parser.add_argument( ""-o"", ""--output-file"", metavar=""PATH"", required=True, help=""Output JSON file listing must-reuse species."", ) args = parser.parse_args() with open(args.input_file) as in_file_obj: reused_collection_conf = json.load(in_file_obj) reused_collection_names = sorted(itertools.chain.from_iterable(reused_collection_conf.values())) with open(args.mlss_conf_file) as in_file_obj: xml_tree = etree.parse(in_file_obj) # pylint: disable=c-extension-no-member xml_root = xml_tree.getroot() reused_collection_genomes = defaultdict(set) for collection_name in reused_collection_names: collection = xml_root.find(f"".//collection[@name='{collection_name}']"") for genome in collection.findall(""genome""): if genome.attrib.get(""exclude"", False): continue reused_collection_genomes[collection_name].add(genome.attrib[""name""]) reused_genomes_by_parity = {} for parity in [""odd"", ""even""]: reused_genomes_by_parity[parity] = set.union( *[reused_collection_genomes[collection] for collection in reused_collection_conf[parity]] ) if args.ensembl_release == ""all"": must_reuse_genomes = reused_genomes_by_parity[""odd""] & reused_genomes_by_parity[""even""] else: try: ensembl_release = int(args.ensembl_release) except ValueError as exc: raise ValueError(f""invalid/unsupported Ensembl release: {args.ensembl_release}"") from exc parity = ""even"" if ensembl_release % 2 == 0 else ""odd"" must_reuse_genomes = reused_genomes_by_parity[parity] with open(args.output_file, ""w"") as out_file_obj: json.dump(sorted(must_reuse_genomes), out_file_obj) ","Python" "Codon","Ensembl/ensembl-compara","scripts/production/enable_mysql_keys.sh",".sh","995","28","#!/bin/bash # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. [ $# -ne 4 ] && { echo ""Usage: $0 --host=mysql-server --port=port --user=user database_name""; exit 1; } set -euo pipefail mysql ""$@"" --column-names=false -e ""SHOW FULL TABLES WHERE TABLE_TYPE = 'BASE TABLE'"" | cut -f1 | while read -r table; do echo ""$table"" mysql ""$@"" -e ""ALTER TABLE $table ENABLE KEYS"" done ","Shell" "Codon","Ensembl/ensembl-compara","scripts/production/link_cactus_pw_mlsses.py",".py","11813","356","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Link each pairwise Cactus MLSS to a suitable reference Cactus MLSS."""""" import argparse from collections import defaultdict from itertools import combinations import re import sys from typing import DefaultDict, Dict, FrozenSet, List, Sequence import warnings import sqlalchemy from sqlalchemy import create_engine, text def _calculate_pairwise_genomic_coverage( connection: sqlalchemy.engine.Connection, msa_mlss_ids: Sequence[int], mlss_to_gdbs: Dict[int, FrozenSet] ) -> Dict: pw_cov_query = text( """"""\ SELECT genome_db_id, tag, value FROM species_tree_node JOIN species_tree_node_tag USING(node_id) JOIN species_tree_root USING(root_id) WHERE method_link_species_set_id = :mlss_id AND (tag = 'total_genome_length' OR tag REGEXP '^genome_coverage_[0-9]+$') """""" ) pw_cov_tag_re = re.compile(""genome_coverage_(?P[0-9]+)"") pairwise_coverage: Dict = {} for mlss_id in msa_mlss_ids: pairwise_coverage[mlss_id] = {} gdb_to_length = {} genome_db_to_pairwise_coverage: DefaultDict = defaultdict(lambda: defaultdict(int)) for gdb1_id, tag, value in connection.execute(pw_cov_query, {""mlss_id"": mlss_id}): if match := pw_cov_tag_re.fullmatch(tag): gdb2_id = int(match[""gdb_id""]) genome_db_to_pairwise_coverage[gdb1_id][gdb2_id] = float(value) else: # tag == 'total_genome_length' gdb_to_length[gdb1_id] = float(value) gdb_to_pw_cov = {k: dict(x) for k, x in genome_db_to_pairwise_coverage.items()} for gdb1_id, gdb2_id in combinations(mlss_to_gdbs[mlss_id], 2): try: pw_cov_on_gdb1 = gdb_to_pw_cov[gdb1_id][gdb2_id] pw_cov_on_gdb2 = gdb_to_pw_cov[gdb2_id][gdb1_id] gdb1_genome_length = gdb_to_length[gdb1_id] gdb2_genome_length = gdb_to_length[gdb2_id] except KeyError: # any key error here would prevent calculation of pairwise coverage continue gdb_pair = frozenset([gdb1_id, gdb2_id]) pairwise_coverage[mlss_id][gdb_pair] = (pw_cov_on_gdb1 + pw_cov_on_gdb2) / ( gdb1_genome_length + gdb2_genome_length ) return pairwise_coverage def _fetch_all_current_mlsses_by_method_link_type( connection: sqlalchemy.engine.Connection, method_link_type: str, current_release: int ) -> List[int]: query = text( """"""\ SELECT method_link_species_set_id FROM method_link_species_set JOIN method_link USING(method_link_id) WHERE method_link.type = :method_link_type AND (first_release IS NOT NULL AND first_release <= :release) AND (last_release IS NULL OR last_release >= :release) ORDER BY method_link_species_set_id """""" ) mlss_ids = [] params = {""method_link_type"": method_link_type, ""release"": current_release} for (mlss_id,) in connection.execute(query, params): mlss_ids.append(mlss_id) return mlss_ids def _fetch_mlss_gdb_map(connection: sqlalchemy.engine.Connection, mlss_ids: Sequence[int]) -> Dict: query = text( """"""\ SELECT genome_db_id FROM method_link_species_set JOIN species_set USING(species_set_id) WHERE method_link_species_set_id = :mlss_id """""" ) mlss_gdb_map = {} for mlss_id in mlss_ids: gdb_set = set() for (genome_db_id,) in connection.execute(query, {""mlss_id"": mlss_id}): gdb_set.add(genome_db_id) mlss_gdb_map[mlss_id] = frozenset(gdb_set) return mlss_gdb_map def _get_original_url(connection: sqlalchemy.engine.Connection, mlss_id: int) -> str: mlss_url_query = text( """"""\ SELECT url FROM method_link_species_set JOIN method_link USING(method_link_id) WHERE method_link_species_set_id = :mlss_id """""" ) return connection.execute(mlss_url_query, {""mlss_id"": mlss_id}).scalar_one() def _link_cactus_pairwise_mlsses( connection: sqlalchemy.engine.Connection, reference_mlsses: Dict, mlss_to_url: Dict, dry_run: bool = False ) -> None: tag_delete_statement = text( """"""\ DELETE FROM method_link_species_set_tag WHERE method_link_species_set_id = :pw_mlss_id AND tag = 'alt_hal_mlss' """""" ) tag_insert_statement = text( """"""\ INSERT INTO method_link_species_set_tag (method_link_species_set_id, tag, value) VALUES (:pw_mlss_id, 'alt_hal_mlss', :ref_mlss_id) """""" ) url_update_statement = text( """"""\ UPDATE method_link_species_set SET url = :mlss_url WHERE method_link_species_set_id = :mlss_id; """""" ) num_singletons = 0 action = ""Would link"" if dry_run else ""Linking"" for pw_mlss_id, ref_mlss_info in reference_mlsses.items(): ref_mlss_id = ref_mlss_info[""ref_mlss_id""] reason = ref_mlss_info[""reason""] if reason == ""a single candidate"": num_singletons += 1 else: print( f""{action} pairwise Cactus MLSS {pw_mlss_id} to reference MLSS {ref_mlss_id}"" f"" on the basis of {reason} ..."" ) if dry_run: continue connection.execute( tag_delete_statement, {""pw_mlss_id"": pw_mlss_id}, ) connection.execute( tag_insert_statement, {""pw_mlss_id"": pw_mlss_id, ""ref_mlss_id"": ref_mlss_id}, ) connection.execute( url_update_statement, {""mlss_id"": pw_mlss_id, ""mlss_url"": mlss_to_url[ref_mlss_id]}, ) if num_singletons > 0: quantifier = ""all"" if num_singletons == len(reference_mlsses) else ""remaining"" print( f""{action} {quantifier} {num_singletons} pairwise Cactus MLSSes"" f"" to their single available reference MLSS ..."" ) def _select_reference_mlsses( pairwise_mlss_ids: Sequence[int], msa_mlss_ids: Sequence[int], mlss_to_gdbs: Dict, pairwise_coverage: Dict, on_missing_ref_mlss: str = ""raise"", ) -> Dict: reference_mlsses = {} for pw_mlss_id in pairwise_mlss_ids: cand_ref_mlss_ids = [ msa_mlss_id for msa_mlss_id in msa_mlss_ids if mlss_to_gdbs[pw_mlss_id] <= mlss_to_gdbs[msa_mlss_id] ] if len(cand_ref_mlss_ids) == 0: msg = f""no candidate reference MLSS found for pairwise Cactus MLSS {pw_mlss_id}"" if on_missing_ref_mlss == ""warn"": warnings.warn(msg) continue if on_missing_ref_mlss == ""raise"": raise RuntimeError(msg) raise RuntimeError(f""'on_missing_ref_mlss' has unsupported value : {on_missing_ref_mlss}"") if len(cand_ref_mlss_ids) == 1: reference_mlsses[pw_mlss_id] = { ""ref_mlss_id"": cand_ref_mlss_ids[0], ""reason"": ""a single candidate"", } continue gdb_pair = mlss_to_gdbs[pw_mlss_id] if all( mlss_id in pairwise_coverage and gdb_pair in pairwise_coverage[mlss_id] for mlss_id in cand_ref_mlss_ids ): max_pw_cov = max(pairwise_coverage[mlss_id][gdb_pair] for mlss_id in cand_ref_mlss_ids) cand_ref_mlss_ids = [ mlss_id for mlss_id in cand_ref_mlss_ids if pairwise_coverage[mlss_id][gdb_pair] == max_pw_cov ] if len(cand_ref_mlss_ids) == 1: reference_mlsses[pw_mlss_id] = { ""ref_mlss_id"": cand_ref_mlss_ids[0], ""reason"": ""pairwise coverage"", } continue min_mlss_size = min(len(mlss_to_gdbs[mlss_id]) for mlss_id in cand_ref_mlss_ids) cand_ref_mlss_ids = [ mlss_id for mlss_id in cand_ref_mlss_ids if len(mlss_to_gdbs[mlss_id]) == min_mlss_size ] if len(cand_ref_mlss_ids) == 1: reference_mlsses[pw_mlss_id] = { ""ref_mlss_id"": cand_ref_mlss_ids[0], ""reason"": ""MLSS size"", } else: reference_mlsses[pw_mlss_id] = { ""ref_mlss_id"": max(cand_ref_mlss_ids), ""reason"": ""MLSS ID"", } return reference_mlsses def main(): """"""Main function to link each pairwise Cactus MLSS to a suitable reference Cactus MLSS."""""" parser = argparse.ArgumentParser(description=__doc__) parser.add_argument( ""--url"", help=""URL of Compara database in which pairwise Cactus MLSSes are to be linked."", ) parser.add_argument( ""--release"", type=int, required=True, help=""Current Ensembl release."", ) parser.add_argument( ""--on-missing-ref-mlss"", default=""raise"", choices=[""raise"", ""warn""], help=""What to do if a pairwise Cactus MLSS has no suitable reference MLSS."", ) parser.add_argument( ""--dry-run"", action=""store_true"", help=""Print how pairwise Cactus MLSSes would be linked, but do not update the database."", ) args = parser.parse_args() engine = create_engine(args.url) with engine.connect() as conn: cactus_pw_mlss_ids = _fetch_all_current_mlsses_by_method_link_type( conn, ""CACTUS_HAL_PW"", args.release ) if not cactus_pw_mlss_ids: print(""No pairwise Cactus MLSSes found; exiting"") sys.exit(0) cactus_msa_mlss_ids = _fetch_all_current_mlsses_by_method_link_type(conn, ""CACTUS_HAL"", args.release) cactus_msa_mlss_to_url = { mlss_id: _get_original_url(conn, mlss_id) for mlss_id in cactus_msa_mlss_ids } mlss_to_gdb_set = _fetch_mlss_gdb_map(conn, cactus_msa_mlss_ids + cactus_pw_mlss_ids) mlss_pw_cov_info = _calculate_pairwise_genomic_coverage(conn, cactus_msa_mlss_ids, mlss_to_gdb_set) pw_to_ref_mlss_info = _select_reference_mlsses( cactus_pw_mlss_ids, cactus_msa_mlss_ids, mlss_to_gdb_set, mlss_pw_cov_info, on_missing_ref_mlss=args.on_missing_ref_mlss, ) with engine.begin() as conn: _link_cactus_pairwise_mlsses(conn, pw_to_ref_mlss_info, cactus_msa_mlss_to_url, dry_run=args.dry_run) if __name__ == ""__main__"": main() ","Python" "Codon","Ensembl/ensembl-compara","scripts/production/homology_dump_cleanup.py",".py","12817","351","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """""" Clean-up Homology dumps """""" import argparse import logging import os import shutil import sys import textwrap from typing import Any, List, Optional, Tuple from sqlalchemy import create_engine, text from sqlalchemy.exc import SQLAlchemyError # Type aliases for readability SQLResult = List[Tuple[Any, ...]] UniqueCollections = List[str] def mysql_query( query: str, db_url: str, params: Optional[Any] = None, ) -> SQLResult: """""" Execute a MySQL query and return the result. This function takes a SQL query as a string and a database URL, executes the query, and returns the result as SQLResult. It optionally accepts parameters to bind to the query. Parameters: query : The SQL query to be executed. db_url : The database URL for connecting to the MySQL database. params : Optional parameters to bind to the SQL query. If not provided, an empty dictionary is used. Returns: A list of tuples containing the rows returned by the query. Raises: If an error occurs during the execution of the query. """""" if not params: params = {} try: engine = create_engine(db_url) with engine.connect() as conn: info = conn.execute(text(query), params) return [tuple(x) for x in info] except SQLAlchemyError: logging.exception(""MySQL Error"") raise def get_collections(db_url: str, current_release: int) -> UniqueCollections: """""" Retrieves unique collection names from a MySQL database before a specified Ensembl release. This function connects to a MySQL database using the provided database URL, executes a query to retrieve distinct collection names. It processes these names to remove the 'collection-' prefix if present and returns a sorted list of unique names. Args: db_url: The database URL in the format 'mysql://user:password@host:port/database'. current_release: The current Ensembl release. Returns: A sorted list of unique collection names. """""" collections_query = ( ""SELECT DISTINCT ssh.name "" ""FROM method_link_species_set mlss "" ""JOIN method_link ml USING(method_link_id) "" ""JOIN species_set_header ssh USING(species_set_id) "" ""WHERE ml.type IN ('PROTEIN_TREES', 'NC_TREES') "" ""AND mlss.first_release IS NOT NULL "" ""AND mlss.first_release <= :current_release;"" ) params = {""current_release"": current_release} sql = mysql_query(collections_query, db_url, params) result = sorted(set(collection.removeprefix(""collection-"") for collection, in sql)) return result def get_division_info(db_url: str) -> tuple[str, int]: """""" Retrieves division information from a MySQL database. This function connects to a MySQL database using the provided database URL and executes a query to retrieve values for the 'division' and 'schema_version' keys from the 'meta' table. Args: db_url: The database URL in the format 'mysql://user:password@host:port/database'. Returns: Tuple containing the division and release of the MySQL database. """""" div_rel_query = ( ""SELECT meta_key, meta_value FROM meta WHERE meta_key IN ('division', 'schema_version');"" ) metadata: dict[str, Any] = dict(mysql_query(div_rel_query, db_url)) return metadata[""division""], int(metadata[""schema_version""]) def remove_directory(dir_path: str, dry_run: bool) -> None: """""" Removes a directory if dry_run is False. This function attempts to remove the specified directory. If `dry_run` is True, it logs the action that would have been taken without actually deleting the directory. If `dry_run` is False, it deletes the directory and logs the deletion. If an error occurs during the deletion process, it logs the error and raises the exception. Args: dir_path: The path to the directory to be removed. dry_run: If True, the directory will not be removed, and the action will only be logged. """""" if not dry_run: try: shutil.rmtree(dir_path) logging.info(""Removed directory: %s"", dir_path) except Exception: logging.exception(""Error removing directory: %s"", dir_path) raise else: logging.info(""Dry run mode: Would have removed directory: %s"", dir_path) def process_collection_directory( collection_path: str, num_releases_to_keep: int, dry_run: bool ) -> bool: """""" Processes a collection directory and removes subdirectories. This function scans the specified collection directory for subdirectories with numeric names. If the numeric value of the subdirectory name is not in the set of releases to keep (as determined by the num_releases_to_keep parameter), the subdirectory is removed, unless dry_run is True. In dry_run mode, the function logs the actions it would take without actually performing any deletions. Args: collection_path: Path to the collection directory to process. num_releases_to_keep: Ensembl release cutoff indicating number of releases to keep; subdirectories with numeric names less than this value will be considered for removal. dry_run: If True, performs a dry run without actually deleting directories. Returns: True if any directories were removed; False otherwise. """""" dirs_removed = False rel_to_cleanup_path = {} with os.scandir(collection_path) as coll_path: for k in coll_path: try: release = int(k.name) except ValueError: continue rel_to_cleanup_path[release] = k.path releases = sorted(rel_to_cleanup_path.keys(), reverse=True) releases_to_keep = releases[:num_releases_to_keep] for release_to_keep in releases_to_keep: del rel_to_cleanup_path[release_to_keep] for cleanup_path in rel_to_cleanup_path.values(): if os.path.isdir(cleanup_path): remove_directory(cleanup_path, dry_run) dirs_removed = True if not dirs_removed and not dry_run: logging.info( ""No directories found for removal in %s collection."", collection_path ) return dirs_removed def iterate_collection_dirs( div_path: str, collections: UniqueCollections, num_releases_to_keep: int, dry_run: bool ) -> None: """""" Iterates over collection directories within a division path and processes each collection. This function scans the specified division directory for subdirectories that match the names in the provided collections. For each matching collection directory, it calls `process_collection_directory` to remove subdirectories according to specified parameters, unless dry_run is True. In dry_run mode, the function logs the actions it would take without actually performing any deletions. Args: div_path: Path to the division directory containing collection directories. collections: A list of collection names to look for within the division directory. num_releases_to_keep: Ensembl release cutoff indicating number of releases to keep; subdirectories within each collection directory with numeric names less than this value will be considered for removal. dry_run: If True, performs a dry run without actually deleting directories. """""" with os.scandir(div_path) as div_dir: for j in div_dir: if j.is_dir() and j.name in collections: collection_path = os.path.join(div_path, j.name) process_collection_directory(collection_path, num_releases_to_keep, dry_run) def cleanup_homology_dumps( homology_dumps_dir: str, num_releases_to_keep: int, dry_run: bool, collections: UniqueCollections, division: str, log_file: Optional[str] = None, ) -> None: """""" Cleans up homology dump directories based on specified criteria. This function coordinates the cleanup process for homology dump directories. It iterates through collection directories within the specified `div_path`, processing each collection using `iterate_collection_dirs`. For each matching collection directory, it calls `process_collection_directory` to remove subdirectories representing a release prior to the releases being kept, unless dry_run is True. In dry run mode, the function logs the actions it would take without performing any deletions. Args: homology_dumps_dir : Path to the homology dumps directory. num_releases_to_keep : Ensembl release cutoff indicating number of releases to keep; subdirectories within each collection directory with numeric names less than this value will be considered for removal. dry_run : If True, performs a dry run without actually deleting directories. log_file : Path to the log file. collections : A list of collection names to look for within each division directory. Defaults to an empty list. division : Division name. """""" logging_kwargs: dict = { ""format"": ""%(asctime)s - %(message)s"", ""level"": logging.INFO, } if log_file: logging_kwargs[""filename""] = log_file else: logging_kwargs[""stream""] = sys.stdout logging.basicConfig(**logging_kwargs) div_path = os.path.join(homology_dumps_dir, division) iterate_collection_dirs(div_path, collections, num_releases_to_keep, dry_run) if not dry_run: logging.info(""Cleanup process completed."") else: logging.info(""Dry run mode: Cleanup process completed."") def parse_args() -> argparse.Namespace: """""" Returns command-line arguments for the homology dumps cleanup script. """""" description = textwrap.dedent( """"""\ Homology dumps cleanup script Example command to run this script from command line: >>> ./homology_dump_cleanup.py --homology_dumps_dir /hps/nobackup/flicek/ensembl/compara/sbhurji/scripts/homology_dumps --master_db_url mysql://ensro@mysql-ens-compara-prod-5:4615/ensembl_compara_master_plants --num_releases_to_keep 1 --dry_run --log /hps/nobackup/flicek/ensembl/compara/sbhurji/scripts/clean.log """""" ) parser = argparse.ArgumentParser( description=description, formatter_class=argparse.RawDescriptionHelpFormatter ) parser.add_argument( ""--homology_dumps_dir"", required=True, help=""Root directory of the homology dumps."", ) parser.add_argument( ""--master_db_url"", type=str, required=True, help=""URL of the master database."" ) parser.add_argument( ""--num_releases_to_keep"", type=int, required=True, help=( ""Keep homology dumps only for this number of releases,"" "" and delete all homology dumps from releases prior to that."" ), ) parser.add_argument( ""--dry_run"", action=""store_true"", help=""Perform a dry run without deleting files."", ) parser.add_argument( ""--log"", type=str, help=""Optional log file to record deleted files."" ) return parser.parse_args() def main() -> None: """""" This is the main function to parse arguments, retrieve database collections, obtain division information, validate input, and initiate the cleanup of homology dumps. Raises: ValueError: If `num_releases_to_keep` is not greater than zero. """""" args = parse_args() division, release = get_division_info(args.master_db_url) collections = get_collections(args.master_db_url, release) if args.num_releases_to_keep < 1: raise ValueError(""num_releases_to_keep must be greater than zero"") cleanup_homology_dumps( args.homology_dumps_dir, args.num_releases_to_keep, args.dry_run, collections, division, args.log, ) if __name__ == ""__main__"": main() ","Python" "Codon","Ensembl/ensembl-compara","scripts/production/make_a_master.sh",".sh","1973","73","#!/bin/bash # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. prod_cmd=mysql-eg-prod-1 prod_db=ensembl_compara_plants_40_93 mast_cmd=mysql-ens-compara-prod-2-ensadmin mast_db=plants_compara_master_41_94 # ## TESTING # $prod_cmd $prod_db # $mast_cmd $mast_db ## Make the new master database echo ""Creating master db"" $mast_cmd mysqladmin CREATE $mast_db ## Carefull with this, but lets clean the production database... echo ""Cleaning the production db"" ${prod_cmd}-ensrw $prod_db --show-warnings -vv -e ' DELETE g, d FROM genome_db g INNER JOIN dnafrag d USING (genome_db_id) WHERE last_release IS NOT NULL; DELETE m, t FROM method_link_species_set m INNER JOIN method_link_species_set_tag t USING (method_link_species_set_id) WHERE last_release IS NOT NULL; DELETE s, h FROM species_set s INNER JOIN species_set_header h USING (species_set_id) WHERE last_release IS NOT NULL; ' ## Each of these tables should be copied over... table_list=( dnafrag genome_db mapping_session meta method_link method_link_species_set method_link_species_set_attr method_link_species_set_tag ncbi_taxa_name ncbi_taxa_node species_set species_set_header species_set_tag ) echo ""Copying tables"" $prod_cmd mysqldump $prod_db ""${table_list[@]}"" | $mast_cmd $mast_db echo ""Done! $mast_cmd $mast_db"" ","Shell" "Codon","Ensembl/ensembl-compara","scripts/production/repair_mlss_tags.py",".py","6119","140","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Repairs MLSS tags that may have the wrong value, may be missing or belong to undefined MLSSs. The Method Link Species Set (MLSS) tags supported are: * `max_align` * `msa_mlss_id` Examples:: $ python repair_mlss_tags.py --max_align \ --url mysql://ensadmin:${ENSADMIN_PSW}@mysql-ens-compara-prod-6:4616/ensembl_compara_metazoa_51_104 $ python repair_mlss_tags.py --msa_mlss_id \ --url mysql://ensadmin:${ENSADMIN_PSW}@mysql-ens-compara-prod-5:4615/ensembl_compara_plants_51_104 $ python repair_mlss_tags.py --url $(cp1-w details url)ensembl_compara_104 --msa_mlss_id --max_align """""" from argparse import ArgumentParser from sqlalchemy import text from ensembl.utils.database import DBConnection EXPECTED_VALUES_SQL = { 'max_align': """""" SELECT method_link_species_set_id AS mlss_id, MAX(dnafrag_end - dnafrag_start) + 2 AS value FROM constrained_element GROUP BY method_link_species_set_id UNION SELECT method_link_species_set_id AS mlss_id, MAX(dnafrag_end - dnafrag_start) + 2 AS value FROM genomic_align GROUP BY method_link_species_set_id """""", 'msa_mlss_id': """""" SELECT mlss1.method_link_species_set_id AS mlss_id, mlss2.method_link_species_set_id AS value FROM method_link_species_set mlss1 JOIN method_link_species_set mlss2 ON mlss1.species_set_id = mlss2.species_set_id JOIN method_link ml1 ON mlss1.method_link_id = ml1.method_link_id JOIN method_link ml2 ON mlss2.method_link_id = ml2.method_link_id WHERE (ml1.class = 'ConservationScore.conservation_score' OR ml1.class = 'ConstrainedElement.constrained_element') AND (ml2.class = 'GenomicAlignBlock.multiple_alignment' OR ml2.class LIKE 'GenomicAlignTree.%%') AND ml1.type NOT LIKE 'pGERP%%' AND ml2.type NOT LIKE 'pEPO%%' """""" } def repair_mlss_tag(dbc: DBConnection, mlss_tag: str) -> None: """"""Repairs a given method_link_species_set tag in the database by recomputing expected values. This function uses the predefined query in `EXPECTED_VALUES_SQL` for a given ``method_link_species_set_tag`` to extract the expected value for each ``method_link_species_set_id``. It additionally inserts possible missing tags and removes rows that may contain an invalid ``method_link_species_set_id``. Args: dbc: Compara database connection handler. mlss_tag: MLSS tag as found in the ``method_link_species_set_tag`` table. """""" with dbc.begin() as connection: # Get the MLSS tags in method_link_species_set_tag table mlss_tag_values = connection.execute(text( f""SELECT method_link_species_set_id AS mlss_id, value "" f""FROM method_link_species_set_tag WHERE tag = '{mlss_tag}'"" )) mlss_tags = {row.mlss_id: row.value for row in mlss_tag_values.fetchall()} # Extract the expected tag value based on the source data expected_values = connection.execute(text(EXPECTED_VALUES_SQL[mlss_tag])) # Check that each tag has the correct value, fixing those that do not, and add any missing tags for row in expected_values: if row.mlss_id in mlss_tags: # NOTE: due to internal conversions, we need to ensure both sides have the same time if str(mlss_tags[row.mlss_id]) != str(row.value): connection.execute(text( f'UPDATE method_link_species_set_tag SET value = {row.value} ' f'WHERE method_link_species_set_id = {row.mlss_id} AND tag = ""{mlss_tag}""' )) print(f""Repaired MLSS tag '{mlss_tag}' for MLSS id '{row.mlss_id}'"") del mlss_tags[row.mlss_id] else: connection.execute(text( f'INSERT INTO method_link_species_set_tag ' f'VALUES ({row.mlss_id}, ""{mlss_tag}"", {row.value})' )) print(f""Added missing MLSS tag '{mlss_tag}' for MLSS id '{row.mlss_id}'"") # Delete those MLSS tags that do not match any MLSS in method_link_species_set table for mlss_id in mlss_tags.keys(): connection.execute(text( f'DELETE FROM method_link_species_set_tag WHERE method_link_species_set_id = {mlss_id}' )) print(f""Deleted unexpected MLSS tag '{mlss_tag}' for MLSS id '{mlss_id}'"") if __name__ == '__main__': parser = ArgumentParser(description='Repairs the requested MLSS tag(s).') parser.add_argument('--url', required=True, help='URL to the Compara database') parser.add_argument('--max_align', action='store_true', help='Fix the ""max_align"" MLSS tag') parser.add_argument('--msa_mlss_id', action='store_true', help='Fix the ""msa_mlss_id"" MLSS tag') args = parser.parse_args() if args.max_align or args.msa_mlss_id: compara_dbc = DBConnection(args.url) if args.max_align: repair_mlss_tag(compara_dbc, 'max_align') if args.msa_mlss_id: repair_mlss_tag(compara_dbc, 'msa_mlss_id') else: print('No repair option has been selected: Nothing to do') ","Python" "Codon","Ensembl/ensembl-compara","scripts/taxonomy/check_ncbi_taxa_consistency.py",".py","2478","75","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Check consistency of Ensembl NCBI Taxonomy databases."""""" import argparse from collections import defaultdict import subprocess from sqlalchemy import create_engine, text if __name__ == ""__main__"": parser = argparse.ArgumentParser(description=__doc__) parser.add_argument(""--release"", type=int, help=""Current Ensembl release."") parser.add_argument( ""--hosts"", help=""Comma-separated list of hosts on which the NCBI Taxonomy database may be found."" ) args = parser.parse_args() db_name = f""ncbi_taxonomy_{args.release}"" hosts = args.hosts.split("","") db_query = text(""""""SHOW DATABASES LIKE :db_name"""""") ncbi_taxa_urls = [] for host in hosts: cmd_args = [host, ""details"", ""url""] output = subprocess.check_output(cmd_args, text=True) host_url = output.rstrip() engine = create_engine(host_url) with engine.connect() as conn: db_found = conn.execute(db_query, {""db_name"": db_name}).scalar_one_or_none() if db_found: ncbi_taxa_urls.append(f""{host_url}{db_name}"") if not ncbi_taxa_urls: raise RuntimeError(""no NCBI Taxonomy databases found"") import_date_query = text( """"""\ SELECT name FROM ncbi_taxa_name WHERE name_class = 'import date' """""" ) dbs_by_import_date = defaultdict(list) for ncbi_taxa_url in ncbi_taxa_urls: engine = create_engine(ncbi_taxa_url) with engine.connect() as conn: import_date = conn.execute(import_date_query).scalar_one() dbs_by_import_date[import_date].append(engine.url) if len(dbs_by_import_date) > 1: raise RuntimeError( f""NCBI Taxonomy databases have inconsistent import dates: {sorted(dbs_by_import_date)}"" ) ","Python" "Codon","Ensembl/ensembl-compara","scripts/species_tree/reroot_newick.py",".py","1273","46","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Script to root a tree given an outgroup"""""" import argparse import os import sys from ete3 import Tree parser = argparse.ArgumentParser() parser.add_argument('-t', '--tree') parser.add_argument('-o', '--outgroup') opts = parser.parse_args(sys.argv[1:]) # check arguments if not os.path.isfile(opts.tree): sys.stderr.write(f""File {opts.tree} not found"") sys.exit(1) try: opts.outgroup except NameError: sys.stderr.write(""Outgroup must be defined (--outgroup)"") sys.exit(1) t = Tree(opts.tree) t.set_outgroup(opts.outgroup) print(t.get_tree_root().write(format=5)) ","Python" "Codon","Ensembl/ensembl-compara","scripts/species_tree/unroot_newick.py",".py","1736","60","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Script to unroot a tree"""""" import argparse import os import sys from ete3 import Tree parser = argparse.ArgumentParser() parser.add_argument('-t', '--tree') parser.add_argument('-bl', '--branch_lengths', action='store_true') parser.add_argument('-v', '--verbose', action='store_true') opts = parser.parse_args(sys.argv[1:]) if not os.path.isfile(opts.tree): sys.stderr.write(f""File {opts.tree} not found"") sys.exit(1) t = Tree(opts.tree) if opts.verbose: orig_root = t.get_tree_root() sys.stderr.write(""ORIGINAL TREE:\n"" + orig_root.write(format=9) + ""\n\n\n"") # intial unroot t.unroot() # reroot by midpoint to force unrooting later midpoint = t.get_midpoint_outgroup() t.set_outgroup(midpoint) if opts.verbose: sys.stderr.write(""MIDPOINT ROOTING:\n"" + t.write(format=9) + ""\n\n\n"") # final forced unrooting of tree to be absolutely sure t.unroot() if opts.verbose: sys.stderr.write(""UNROOTED:\n"" + t.write(format=9) + ""\n\n\n"") if opts.branch_lengths: print(t.write(format=5)) else: print(t.write(format=9)) ","Python" "Codon","Ensembl/ensembl-compara","scripts/dumps/bulk_genome_dump_from_core.py",".py","9858","323","#!/usr/bin/env python # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """""" Wrapper of dump_genome_from_core.pl to dump a list of FASTA files """""" import argparse import subprocess import os import sys import logging import shlex import yaml def setup_logging(): """""" Sets up logging configuration. """""" logging.basicConfig( level=logging.INFO, format=""%(asctime)s - %(levelname)s - %(message)s"" ) def parse_arguments(): """""" Parses command-line arguments. Returns: argparse.Namespace: The parsed arguments. """""" parser = argparse.ArgumentParser( description=""Wrapper of dump_genome_from_core.pl to dump a list of FASTA files."" ) parser.add_argument(""--yaml"", required=True, type=str, help=""YAML input file"") parser.add_argument(""--output"", help=""Processed output directory"") return parser.parse_args() def subprocess_call( command, stdout_file=""/dev/null"", stderr_file=""/dev/null"", use_job_scheduler=False, job_name=None, ): """""" Subprocess function to execute the given command line. Args: command (list): The command that the subprocess will execute. stdout_file (str): Job scheduler standard output file (default: '/dev/null'). stderr_file (str): Job scheduler standard error file (default: '/dev/null'). use_job_scheduler (bool): If True, the command will be submitted to the Slurm job scheduler. job_name (bool): If using the job scheduler, this sets the job name. Returns: str: The subprocess output or None otherwise. Raises: RuntimeError if the subprocess return code is nonzero. """""" if use_job_scheduler: if not job_name: job_name = os.path.basename(__file__) command = [ ""sbatch"", ""--time=1-00"", ""--mem-per-cpu=4gb"", ""--cpus-per-task=1"", ""--export=ALL"", f""--output={stdout_file}"", f""--error={stderr_file}"", f""--job-name={job_name}"", f""--wrap={shlex.join(command)}"", ] logging.info(""Running: %s"", "" "".join(command)) with subprocess.Popen( command, stdout=subprocess.PIPE, stderr=subprocess.PIPE, text=True, ) as process: output, stderr = process.communicate() if process.returncode != 0: out = f""stdout={output}, stderr={stderr}"" logging.error( ""Command %s exited %d: %s"", "" "".join(command), process.returncode, out ) raise RuntimeError( f""Command {' '.join(command)} exited {process.returncode}: {out}"" ) logging.info(""Successfully ran: %s"", "" "".join(command)) return output.strip() def download_file( host, port, core_db, fasta_filename, stdout_file=""/dev/null"", stderr_file=""/dev/null"", genome_component="""", mask=""soft"", ): """""" Download the FASTA file from the core DB using a PERL script `dump_genome_from_core.pl`. Args: host (str): The DB host name. port (str): The port number. core_db (str): The core_db name. fasta_filename (str): The name given for the FASTA file. stdout_file (str): Job scheduler standard output file (default: '/dev/null'). stderr_file (str): Job scheduler standard error file (default: '/dev/null'). genome_component (str): Optional subgenome component of polyploid genome. mask (str): The mask format for the FASTA file. Returns: str: The output of the subprocess call to download the FASTA file. Raises: KeyError if environment variable ENSEMBL_ROOT_DIR is not set. """""" try: ensembl_root_dir = os.environ[""ENSEMBL_ROOT_DIR""] except KeyError: logging.exception(""Environment variable ENSEMBL_ROOT_DIR not set"") raise script_dir = os.path.join( ensembl_root_dir, ""ensembl-compara"", ""scripts"", ""dumps"", ) script = ""dump_genome_from_core.pl"" try: perl_call = [ ""perl"", os.path.join(script_dir, script), ""--core_db"", core_db, ""--host"", host, ""--port"", str(port), ""--mask"", mask, ""-user"", ""ensro"", ""--outfile"", fasta_filename, ] # Conditionally add the genome component argument if genome_component: perl_call += [""--genome-component"", genome_component] logging.info(""perl_call=%s"", perl_call) return subprocess_call( command=perl_call, use_job_scheduler=True, job_name=f""{core_db}_{genome_component}"", stderr_file=stderr_file, stdout_file=stdout_file, ) except Exception: logging.exception(""An unexpected error occurred"") raise def query_coredb(host, core_db, query): """""" Get the correct meta production name. Args: host (str): The DB host name. core_db (str): The core_db name. query (str): The query to be executed. Returns: str: The output of the subprocess call to query the database. """""" mysql_call = [host, core_db, ""-N"", ""-e"", query] return subprocess_call(command=mysql_call) def parse_yaml(file): """""" YAML parser. Args: file (file object): The file object. Returns: list[dict]: A list of dictionaries, each with information about a genome (or genome component) to be downloaded. """""" content = yaml.safe_load(file) download_content = [] for data in content: host = data[""host""] port = data[""port""] include_gca_number = data.get(""gca_number"", False) for core_db in data[""core_db""]: fasta_file_name = query_coredb( host=host, core_db=core_db, query=""SELECT meta_value FROM meta WHERE meta_key='species.production_name';"", ) if include_gca_number: gca_number = query_coredb( host=host, core_db=core_db, query=""SELECT meta_value FROM meta WHERE meta_key='assembly.accession';"", ) gca_number = gca_number.replace(""."", ""v"").replace(""_"", """").lower() fasta_file_name = f""{fasta_file_name}_{gca_number}"" # Query the genome components and split the result genome_components = [ component for component in query_coredb( host=host, core_db=core_db, query=( ""SELECT DISTINCT value FROM seq_region_attrib "" ""JOIN attrib_type USING (attrib_type_id) "" ""WHERE attrib_type.code='genome_component';"" ), ).split(""\n"") if component ] # Generate dump filenames dump_filenames = ( [ (f""{fasta_file_name}_{component}"", component) for component in genome_components ] if genome_components else [(fasta_file_name, """")] ) # Collect download information for filename, genome_component in dump_filenames: logging.info(""fasta_file_name=%s"", filename) logging.info(""genome_component=%s"", genome_component) download_content.append( { ""host"": host, ""port"": port, ""core_db"": core_db, ""genome_component"": genome_component, ""fasta_filename"": filename, } ) return download_content def main(): """""" Main function to parse arguments and handle the processing of a YAML file to dump a list of FASTA files. """""" setup_logging() args = parse_arguments() with open(args.yaml, mode=""r"", encoding=""utf-8"") as f: if args.output is None: args.output = os.path.dirname(os.path.realpath(f.name)) else: args.output = os.path.abspath(args.output) if not os.path.isdir(args.output): logging.error( ""%s does not exist for output, please create it first"", args.output ) sys.exit(1) download_content = parse_yaml(file=f) for content in download_content: download_file( host=content[""host""], port=content[""port""], core_db=content[""core_db""], genome_component=content[""genome_component""], fasta_filename=os.path.join(args.output, f""{content['fasta_filename']}.fa""), stdout_file=os.path.join(args.output, f""{content['fasta_filename']}.out""), stderr_file=os.path.join(args.output, f""{content['fasta_filename']}.err""), ) if __name__ == ""__main__"": main() ","Python" "Codon","Ensembl/ensembl-compara","scripts/debug/Ortheus.py",".py","4503","72","#!/usr/bin/env python2 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Script to mimic Ortheus and return the output of a previous run"""""" import os import subprocess import sys # Set here the expected inputs, which you can find in the Ortheus command line species_tree = '(((((((327:0.0585842,457:0.0598399):0.0310988,(180:0.00823412,179:0.0124659):0.09194331):0.00755855,(((334:0.0638217,214:0.064933836):0.0036732,190:0.0702538):0.0105362,((((174:0.01004235,134:0.010315324):0.0109081,212:0.0204159):0.016895,213:0.0365203):0.0231325,155:0.0629363):0.016747061):0.02896091):0.00360012,108:0.1033556):0.000861311,((((((((221:0.00217461,210:0.00336539):0.00431221,150:0.00659779):0.00185473,209:0.00857453):0.00841622,60:0.0171585):0.00275526,199:0.0196199):0.0111247,(((222:0.00407792,317:0.00410208):0.00351067,(198:0.00206424,361:0.00219576):0.0052648):0.00408468,153:0.0116608):0.01847121):0.0177918,225:0.0540072):0.0276482537,206:0.07598296):0.0211581):0.0001,(((293:0.08132458,383:0.08146022):0.00503641,(((((((443:0.00217466,147:0.00243534):0.00869776,(224:0.00173498,456:0.00390502):0.00956724):0.0169365,(((342:0.00249523,337:0.00262477):0.0001,286:0.00189147):0.0031008,392:0.00583909):0.0225753):0.00548926,435:0.0321916):0.0376598,((((445:0.00277412,422:0.00333588):0.00495005,452:0.00838995):0.01316161,397:0.020255):9.06327e-06,449:0.018974):0.0433334):0.0108219,(211:0.046385437,394:0.0474265):0.028304):0.0001,407:0.0773769):0.00881201):0.00204002,(((434:0.0434658,429:0.04457849):0.01562144,(((379:0.000795536,135:0.00108446):0.000328819,372:0.000971181):9.97128e-05,285:0.00108401):0.0568382):0.00695254,(((387:0.008825,240:0.009225):0.00225289,(416:0.00238575,237:0.00274425):0.00852647):0.0378966,396:0.054702):0.0156824):0.0167101):0.0172095):0.00431128,98:0.1029919);' species_list = ""60 98 98 108 108 108 134 134 135 135 135 147 153 174 179 180 190 190 198 211 212 222 237 285 285 285 317 327 327 334 334 361 372 372 372 379 379 379 387 394 396 407 407 407 416 429 434 434 434 435 443"".split() pid = 85677 # This is where you have saved Ortheus' output from a previous run ref_fasta_dir = '/path/to/worker_muffato_mammals_epo_with_ext_104.95260' def read_file(filename): """"""Helper method to read a whole file"""""" with open(filename, 'r') as fh: return fh.read() # A typical command-line ends with: # -f -g output_tree_path = sys.argv[-1] output_alignment_path = sys.argv[-3] # Before that there should be: # -s -z -A ... # And the values should match assert sys.argv[-4-len(species_list):-4] == species_list assert sys.argv[-4-len(species_list)-2] == species_tree # A typical command-line starts with: # python2 /path/to/Ortheus.py -l '#-j 0' -e .. # Check that the Fasta files are identical for fasta_path in sys.argv[4:4+len(species_list)]: new_file_content = read_file(fasta_path) ref_file_content = read_file(os.path.join(ref_fasta_dir, os.path.basename(fasta_path))) assert new_file_content == ref_file_content # Copy some of the reference output files subprocess.check_call(['cp', os.path.join(ref_fasta_dir, 'output.%d.mfa' % pid), output_alignment_path]) subprocess.check_call(['cp', os.path.join(ref_fasta_dir, 'output.score'), os.path.curdir]) # Extract the temp directory in which the data are expected expected_tmpdir = os.path.dirname(sys.argv[4]) # And edit the reference tree file with open(os.path.join(ref_fasta_dir, 'output.%d.tree' % pid), 'r') as fh: tl = fh.readlines() ref_tmpdir = os.path.dirname(tl[1].split()[0]) with open(output_tree_path, 'w') as fh: # The first line is the tree and should remain the same print >> fh, tl[0], # The second line has paths, which have to be edited print >> fh, tl[1].replace(ref_tmpdir, expected_tmpdir), ","Python" "Codon","Ensembl/ensembl-compara","scripts/synteny/BuildSynteny.java",".java","12491","403","/* * See the NOTICE file distributed with this work for additional information * regarding copyright ownership. * * Licensed under the Apache License, Version 2.0 (the ""License""); * you may not use this file except in compliance with the License. * You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicable law or agreed to in writing, software * distributed under the License is distributed on an ""AS IS"" BASIS, * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. * See the License for the specific language governing permissions and * limitations under the License. */ import java.util.Vector; import apollo.datamodel.FeaturePair; import apollo.datamodel.SeqFeature; import apollo.seq.io.GFFFile; import apollo.util.QuickSort; public class BuildSynteny { public static void main (String[] args) { Vector fset = new Vector(); if (args.length < 3 || args.length > 6) { System.err.println(""Usage: BuildSynteny [orientFlag]""); System.err.println(""Usage: BuildSynteny [orientFlag]""); System.exit(1); } int maxDist1 = Integer.parseInt(args[1]); int minSize1 = Integer.parseInt(args[2]); int maxDist2; int minSize2; int orientFlagIndex = 3; if (args.length > 4) { maxDist2 = Integer.parseInt(args[3]); minSize2 = Integer.parseInt(args[4]); orientFlagIndex += 2; } else { maxDist2 = maxDist1; minSize2 = minSize1; } boolean orientFlag = true; if (args.length > orientFlagIndex) { if (args[orientFlagIndex].equals(""true"") || args[orientFlagIndex].equals(""1"")) { orientFlag = true; } else if (args[orientFlagIndex].equals(""false"") || args[orientFlagIndex].equals(""0"")) { orientFlag = false; } else { System.err.println(""Error: arg "" + orientFlagIndex + "" not a boolean""); System.err.println(""Usage: BuildSynteny [orientFlag]""); System.err.println(""Usage: BuildSynteny [orientFlag]""); System.exit(1); } } try { GFFFile gff = new GFFFile(args[0],""File""); for (int i = 0; i < gff.seqs.size(); i++) { if (gff.seqs.elementAt(i) instanceof FeaturePair) { fset.addElement((FeaturePair)gff.seqs.elementAt(i)); } } } catch (Exception e) { System.out.println(""Exception "" + e); } groupLinks(fset, maxDist1, minSize1, maxDist2, minSize2, orientFlag); System.exit(0); } public static void groupLinks (Vector fset, int maxDist1, int minSize1, int maxDist2, int minSize2, boolean orientFlag) { Vector newfset = new Vector(); if ((maxDist1 == 0) || (maxDist2 == 0)) { return; } // First sort the links by start coordinate on the query (main) species long[] featStart = new long[fset.size()]; FeaturePair[] feat = new FeaturePair[fset.size()]; for (int i = 0; i < fset.size(); i++) { FeaturePair sf = fset.get(i); feat[i] = sf; featStart[i] = sf.getLow(); } QuickSort.sort(featStart,feat); FeaturePair prev = null; int minStart = 1000000000; int minHStart = 1000000000; int maxStart = -1; int maxHStart = -1; long forwardCount = 0; long reverseCount = 0; Vector featHolder = new Vector(); //================================================================= // FIRST LOOP: group links. maxDist is twice original maxDist // feat -> newfset //================================================================= for (int i= 0; i < feat.length; i++) { // System.err.println(""Feature is "" + feat[i].getName() + "" "" + feat[i].getLow() + "" "" + feat[i].getHigh() // + "" "" + feat[i].getHname() + "" "" + feat[i].getHlow() + "" "" + feat[i].getHhigh()); if (prev != null) { // dist1 is the distance between this feature and the previous one on the query (main) species. double dist1 = (1.0*Math.abs(feat[i].getLow() - prev.getLow())); // dist2 is the distance between this feature and the previous one on the target (secondary) species. double dist2 = (1.0*Math.abs(feat[i].getHlow() - prev.getHlow())); // System.err.println(""Dist is "" + feat[i].getHname() + "" "" + dist1 + "" "" + dist2); // We've reached the end of a block if ((dist1 > maxDist1*2) || (dist2 > maxDist2*2) || !feat[i].getHname().equals(prev.getHname())) { //if ((dist1 > maxDist*2) || (dist2 > maxDist*2)) { double size1 = Math.abs(maxStart - minStart); double size2 = Math.abs(maxHStart - minHStart); // Is the block big enough to keep? if (size1 > minSize1 && size2 > minSize2 && featHolder.size() > 1) { SeqFeature sf1 = new SeqFeature(minStart,maxStart,prev.getFeatureType()); SeqFeature sf2 = new SeqFeature(minHStart,maxHStart,prev.getFeatureType()); sf1.setName(prev.getName()); sf2.setName(prev.getHname()); if (Math.abs(forwardCount-reverseCount) > 5) { if (forwardCount > reverseCount) { sf1.setStrand(1); sf2.setStrand(1); } else { sf1.setStrand(-1); sf2.setStrand(-1); } } else { sf1.setStrand(prev.getHstrand()); sf2.setStrand(prev.getHstrand()); } FeaturePair fp = new FeaturePair(sf1,sf2); newfset.addElement(fp); } prev = null; minStart = 1000000000; minHStart = 1000000000; maxStart = -1; maxHStart = -1; forwardCount = 0; reverseCount = 0; featHolder = new Vector(); // System.err.println(""Starting new block "" + feat[i].getName()); } else if (!feat[i].getHname().equals(prev.getHname())) { System.err.println(""ERROR: Should have switched from "" + prev.getHname() + "" to "" + feat[i].getHname()); } } if (feat[i].getLow() < minStart) { minStart = feat[i].getLow(); } if (feat[i].getHlow() < minHStart) { minHStart = feat[i].getHlow(); } if (feat[i].getHigh() > maxStart) { maxStart = feat[i].getHigh(); } if (feat[i].getHhigh() > maxHStart) { maxHStart = feat[i].getHhigh(); } // System.err.println(""New region bounds "" + minStart + "" "" + maxStart + "" "" + minHStart + "" "" + maxHStart); if (prev != null) { if ((feat[i].getStart() - prev.getEnd())*(feat[i].getHstart() - prev.getHend()) < 0) { reverseCount++; } else { forwardCount++; } } // System.err.println(""minStart = "" + minStart + ""; minHStart = "" + minHStart + ""; maxStart = "" + maxStart + ""; maxHStart "" + maxHStart + "" fwdCnt = "" + forwardCount + "" rvsCnt = "" + reverseCount); featHolder.addElement(feat[i]); prev = feat[i]; } double size1 = Math.abs(maxStart - minStart); double size2 = Math.abs(maxHStart - minHStart); if (size1 > minSize1 && size2 > minSize2 && feat.length > 0 && featHolder.size() > 1) { SeqFeature sf1 = new SeqFeature(minStart,maxStart,feat[feat.length-1].getFeatureType()); SeqFeature sf2 = new SeqFeature(minHStart,maxHStart,feat[feat.length-1].getFeatureType()); sf1.setName(feat[feat.length-1].getName()); sf2.setName(feat[feat.length-1].getHname()); // System.err.println(""ForwardCount = "" + forwardCount + "" ReverseCount = "" + reverseCount); if (forwardCount > 0 || reverseCount > 0) { if (forwardCount > reverseCount) { sf1.setStrand(1); sf2.setStrand(1); } else { sf1.setStrand(-1); sf2.setStrand(-1); } } else { sf1.setStrand(feat[feat.length-1].getHstrand()); sf2.setStrand(feat[feat.length-1].getHstrand()); } FeaturePair fp = new FeaturePair(sf1,sf2); newfset.addElement(fp); } if (newfset.size() == 0) { return; } //================================================================= // SECOND LOOP: group previous groups. maxDist is 30x the original maxDist // newfset -> tmpfset //================================================================= // System.err.println(""Grouping groups""); Vector tmpfset = new Vector(); FeaturePair[] farr = newfset.toArray(new FeaturePair[newfset.size()]); minStart = 1000000000; minHStart = 1000000000; maxStart = -1; maxHStart = -1; prev = null; String curHname = null; for (int i=0; i < newfset.size(); i++) { FeaturePair fp = newfset.get(i); // System.err.println(""Processing feature "" + fp.getHname() + "" "" + // fp.getLow() + "" "" + fp.getHigh() + "" - "" + // fp.getHlow() + "" "" + fp.getHhigh()); if (prev != null) { // int internum = find_internum(fp,prev,farr); int ori = fp.getHstrand() * prev.getHstrand(); double dist1 = Math.abs(fp.getLow() - prev.getHigh()); double dist2 = Math.abs(fp.getHlow() - prev.getHhigh()); if (fp.getHstrand() == -1) { dist2 = Math.abs(fp.getHhigh() - prev.getHlow()); } // System.err.println(""Distances "" + dist1 + "" "" + dist2 + "" "" + (Math.abs(dist1 - dist2))); // System.err.println(""Pog "" + internum + "" "" + ori); if (! curHname.equals(fp.getHname()) || dist1 > maxDist1*30 || dist2 > maxDist2*30 || find_internum(fp,prev,farr) > 2 || (orientFlag && ori == -1)) { // No ori check in old code // System.err.println(""New block "" + Math.abs(dist1 - dist2) + "" "" + minStart + "" "" + prev.getHname()); SeqFeature sf1 = new SeqFeature(minStart ,maxStart ,""synten""); SeqFeature sf2 = new SeqFeature(minHStart,maxHStart,""synten""); sf1.setName(prev.getName()); sf2.setName(prev.getHname()); FeaturePair newfp = new FeaturePair(sf1,sf2); // System.err.println(""Setting group strand "" + prev.getStrand()); newfp.setStrand(prev.getStrand()); tmpfset.addElement(newfp); minStart = 1000000000; minHStart = 1000000000; maxStart = -1; maxHStart = -1; prev = null; } } if (fp.getLow() < minStart) { minStart = fp.getLow(); } if (fp.getHlow() < minHStart) { minHStart = fp.getHlow(); } if (fp.getHigh() > maxStart) { maxStart = fp.getHigh(); } if (fp.getHhigh() > maxHStart) { maxHStart = fp.getHhigh(); } if (prev == null) { curHname = fp.getHname(); } prev = fp; } SeqFeature sf1 = new SeqFeature(minStart,maxStart,""synten""); SeqFeature sf2 = new SeqFeature(minHStart,maxHStart,""synten""); sf1.setName(prev.getName()); sf2.setName(prev.getHname()); FeaturePair newfp = new FeaturePair(sf1,sf2); newfp.setStrand(prev.getStrand()); tmpfset.addElement(newfp); for (int i=0; i < tmpfset.size(); i++) { FeaturePair fp = tmpfset.get(i); if (Math.abs(fp.getHigh() - fp.getLow()) > minSize1) { System.out.println(fp.getName() + ""\tcluster\tsimilarity\t"" + fp.getLow() + ""\t"" + fp.getHigh() + ""\t100\t"" + fp.getStrand() + ""\t.\t"" + fp.getHname() + ""\t"" + fp.getHlow() + ""\t"" + fp.getHhigh()); } } return; } public static int find_internum(FeaturePair f1, FeaturePair prev, FeaturePair[] feat) { long start = prev.getHhigh(); long end = f1.getHlow(); if (f1.getHlow() < prev.getHhigh()) { start = prev.getHlow(); end = f1.getHhigh(); } int count = 0; //System.err.println(""Feature start end "" + start + "" "" + end); if (f1.getHlow() < prev.getHhigh()) { start = prev.getHlow(); end = f1.getHhigh(); } for (int i = 0; i < feat.length; i++) { FeaturePair fp = feat[i]; if (!(feat[i].getHlow() > end || feat[i].getHhigh() < start)) { System.out.println(fp.getName() + ""\tinternum\tsimilarity\t"" + fp.getLow() + ""\t"" + fp.getHigh() + ""\t100\t"" + fp.getStrand() + ""\t.\t"" + fp.getHname() + ""\t"" + fp.getHlow() + ""\t"" + fp.getHhigh()); count++; } if (feat[i].getHlow() > end) { return count; } } return count; } } ","Java" "Codon","Ensembl/ensembl-compara","scripts/synteny/apollo/seq/io/GFFFile.java",".java","5653","176","/* Jalview - a java multiple alignment editor * Copyright (C) 1998 Michele Clamp * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU General Public License * as published by the Free Software Foundation; either version 2 * of the License, or (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. */ /* * This is a trimmed version of Apollo's module that only supplieds the * fields needed by the BuildSynteny program. */ package apollo.seq.io; import java.lang.String; import java.io.IOException; import java.util.Vector; import java.util.StringTokenizer; import apollo.io.FileParse; import apollo.datamodel.SeqFeature; import apollo.datamodel.FeaturePair; public class GFFFile extends FileParse { int noSeqs; int maxLength = 0; public Vector seqs; long start; long end; public GFFFile(String inFile, String type) throws IOException { //Read in the file first super(inFile,type); seqs = new Vector(); //Read lines from file System.err.println(""Reading Ensembl-style GFF file "" + inFile + ""....""); start = System.currentTimeMillis(); readLines(); end = System.currentTimeMillis(); // System.err.println(""done""); //System.err.println(""Total time taken = "" + (end-start) + ""ms""); // System.err.println(""Parsing file....""); start = System.currentTimeMillis(); parse(); } public void parse() { //System.err.println(""parse""); for (int i = 0; i < lineArray.size(); i++) { String line = lineArray.elementAt(i); //System.err.println(""LINE "" + line); if (line.indexOf(""#"") == -1 ) { // SMJS Added delimiter argument to call. GFF has 8 tab delimited fields. // The last field is a fairly free text format field, which needs // special handling. StringTokenizer st = new StringTokenizer(line,""\t""); if (st.countTokens() >= 8) { try { String s = st.nextToken(); String type = st.nextToken(); String prim = st.nextToken(); int qstart = Integer.parseInt(st.nextToken()); int qend = Integer.parseInt(st.nextToken()); double score = 0; try { score = (Double.valueOf(st.nextToken())).doubleValue(); } catch (Exception e) { System.err.println(""Error parsing score : "" + e); } String strand = st.nextToken(); String frame = st.nextToken(); String id = prim; SeqFeature se = new SeqFeature(qstart,qend,id); if (strand.equals(""-"")) { se.setStrand(-1); } else { se.setStrand(1); } se.setFeatureType(type); //se.setScore(score); se.setName(s); se.setId(s); /*if (!(frame.equals("".""))) { se.setPhase(Integer.parseInt(frame)); } else { // se.setPhase(-1); }*/ if (st.hasMoreTokens() && prim.equals(""similarity"")) { try { // SMJS Get remainder of string by setting // delimiter to nothing ("""") String htok = st.nextToken(""""); // System.err.println(""htok = "" + htok); // SMJS Setup a new tokenizer which doesn't require tabs StringTokenizer sth = new StringTokenizer(htok); String hid = sth.nextToken(); int hstart = Integer.parseInt(sth.nextToken()); int hend = Integer.parseInt(sth.nextToken()); int hitStrand = 0; SeqFeature f2 = null; if (hstart < hend){ hitStrand = 1; f2 = new SeqFeature(hstart, hend, hid, hitStrand); }else{ hitStrand = -1; f2 = new SeqFeature(hend, hstart, hid, hitStrand); }//end if f2.setName(hid); f2.setId(hid); se.setId(hid); FeaturePair fp = new FeaturePair(se,f2); seqs.addElement(fp); } catch (Exception e) { System.err.println(""Can't add line - "" + line + "" "" + e); } } else if (st.hasMoreTokens() && prim.equals(""exon"")) { // SMJS Modified for BDGP GFF file (get rest of string String hid = st.nextToken(""\t""); se.setName(hid); se.setId(hid); // Try Id instead of name seqs.addElement(se); } else { if (!(prim.equals(""intron"") || prim.equals(""sequence"") || prim.equals(""coding_exon""))) { seqs.addElement(se); } } } catch (NumberFormatException nfe) { System.err.println(""NumberFormatException "" + nfe); System.err.println(""ERROR: parsing line "" + line); } } } } noSeqs = seqs.size(); } } ","Java" "Codon","Ensembl/ensembl-compara","scripts/synteny/apollo/datamodel/FeaturePair.java",".java","5251","213"," /* * This is a trimmed version of Apollo's module that only supplieds the * fields needed by the BuildSynteny program. */ package apollo.datamodel; import java.util.*; public class FeaturePair extends SeqFeature { /** query feature, do we really need to store query separately, couldnt query just be this and just the associated hit would be a separate SeqFeature? Thats really the way to go. how hard a change would this be? */ SeqFeature query; /** hit feature */ SeqFeature hit; /** f1 is query feature, f2 is hit feature */ public FeaturePair(SeqFeature f1, SeqFeature f2) { this.query = f1; setHitFeature(f2); } public void setQueryFeature(SeqFeature feature) { this.query = feature; } public SeqFeature getQueryFeature() { return query; } public void setHitFeature(SeqFeature feature) { this.hit = feature; // needs access to cigar for on-demand parsing with getAlignment() hit.setQueryFeature(this); } public SeqFeature getHitFeature() { return hit; } /** from SeqFeature */ public boolean hasHitFeature() { return hit != null; } public void setLow(int low) { query.setLow(low); } public int getLow() { return query.getLow(); } public void setHigh(int high) { query.setHigh(high); } public int getHigh() { return query.getHigh(); } public void setStart(int start) { query.setStart(start); } public int getStart() { return query.getStart(); } public void setEnd(int end) { query.setEnd(end); } public int getEnd() { return query.getEnd(); } public void setStrand(int strand) { query.setStrand(strand); } public int getStrand() { return query.getStrand(); } public void setName(String name) { query.setName(name); } public String getName() { return query.getName(); } public void setId(String id) { query.setId(id); } public String getId() { return query.getId(); } public void setFeatureType(String type) { query.setFeatureType(type); } public String getTopLevelType() { return query.getTopLevelType(); } // setBioType?? public String getFeatureType() { return query.getFeatureType(); } public String getHname() { return hit.getName(); } public void setHname(String name) { hit.setName(name); } public int getHstart() { return hit.getStart(); } public void setHstart(int start) { hit.setStart(start); } public int getHend() { return hit.getEnd(); } public void setHend(int end) { hit.setEnd(end); } public void setHlow(int low) { hit.setLow(low); } public int getHlow() { return hit.getLow(); } public void setHhigh(int high) { hit.setHigh(high); } public int getHhigh() { return hit.getHigh(); } public void setHstrand(int strand) { hit.setStrand(strand); } public int getHstrand() { return hit.getStrand(); } /** Gets the index into the hit strings explicitAlignment for a genomic position**/ public int getHitIndex(int genomicPosition) { int index = 0; if (isForwardStrand()) { index = genomicPosition - query.getLow(); } else { index = query.getHigh() - genomicPosition; } return index; } public int insertionsBefore(int hitIndex, String alignment) { int count = 0; String query = alignment.substring(0, Math.min(alignment.length(), hitIndex+1)); int index = query.indexOf('-', 0); while (index != -1) { count++; query = alignment.substring(0, Math.min(alignment.length(), hitIndex+count+1)); index = query.indexOf('-', index+1); } return count; } public Range getInsertionRange(int hitIndex, String alignment) { int start = -1; int end = -1; for (int hi = hitIndex; hi >= 0 && alignment.charAt(hi) == '-'; hi--) { start = hi; } for(int hi = hitIndex; hi < alignment.length() && alignment.charAt(hi) == '-'; hi++) { end = hi; } // end is exclusive to make substr easier to use. if (start != -1) { end++; } return new Range(start, end); } /*public static void main(String[] args) { SeqFeature sf1 = new SeqFeature(100,200,""pog"",1); SeqFeature sf2 = new SeqFeature(100,200,""pog"",-1); sf1.setName(""query""); sf2.setName(""hit""); System.err.println(""Features "" + sf1); System.err.println(""Features "" + sf2); FeaturePair fp = new FeaturePair(sf1,sf2); System.err.println(""Feature is "" + fp); System.err.println(""Left/right overlaps "" + fp.getLeftOverlap(sf1) + "" "" + fp.getRightOverlap(sf1)); System.err.println(""Overlap "" + fp.isExactOverlap(sf1) + "" "" + fp.isExactOverlap(sf2)); //fp.invert(); System.err.println(""Feature is "" + fp); System.err.println(""Overlap "" + fp.isExactOverlap(sf1) + "" "" + fp.isExactOverlap(sf2)); }*/ private boolean isEmptyOrNull(String s) { if (s==null) return true; return s.equals(""""); } } ","Java" "Codon","Ensembl/ensembl-compara","scripts/synteny/apollo/datamodel/SeqFeature.java",".java","4070","140"," /* * This is a trimmed version of Apollo's module that only supplieds the * fields needed by the BuildSynteny program. */ package apollo.datamodel; import java.util.Hashtable; import java.util.HashMap; import java.util.Iterator; import java.util.Vector; import java.util.Enumeration; import apollo.util.QuickSort; public class SeqFeature extends Range { // ----------------------------------------------------------------------- // Class/static variables // ----------------------------------------------------------------------- // ----------------------------------------------------------------------- // Instance variables // ----------------------------------------------------------------------- protected String id; protected String refId; protected SeqFeature refFeature; private SeqFeature analogousOppositeStrandFeature=null; protected String biotype = null; // Actually keep the default score outside the hash so we don't have to do // a hash table lookup every time we want it!!!! protected double score; protected byte phase = 0; /** When translating the offset for the stop codon in genome coordinates needs to be adjusted to account for edits to the mRNA that alter the relative position of the Stop codon on the mRNA vs. the genome (e.g. from translational frame shift, or genomic sequencing errors */ protected int edit_offset_adjust; //ADDED by TAIR User object to be used by any data adapter that needs it private Object userObject = null; private String syntenyLinkInfo = null; private SeqFeature cloneSource = null; public SeqFeature() { } public SeqFeature(int low, int high, String type) { init(low,high,type); } public SeqFeature(int low, int high, String type, int strand) { init(low,high,type,strand); } private void init(int low, int high, String type) { setLow (low); setHigh (high); setFeatureType (type); } private void init(int low, int high, String type, int strand) { init(low,high,type); setStrand(strand); } /** If biotype is null, returns type */ public String getTopLevelType() { String retType; retType = getFeatureType(); return retType; } public void setId(String id) { this.id = id; } public String getId() { return this.id; } /** FeatureSet overrides - merge with getNumberOfChildren */ public int size() { return 0; } /** By default SeqFeature has no kids so returns -1 be default. */ public int getFeatureIndex(SeqFeature sf) { return -1; } /** no-op. SeqFeatures with children should override(eg FeatureSet). a non child bearing SeqFeature neednt do anything */ public void addFeature(SeqFeature child) {} /** no-op - overridden by FeatureSet */ public void addFeature(SeqFeature feature, boolean sort){} /** * The number of descendants (direct and indirect) in this FeatureSet. * This method should find each child, and invoke numChildFeatures for each * child that is a FeatureSet, and add 1 to the count for all others. * FeatureSet implementors should not count themselves, but only the * leaf SeqFeature implementations. * This should be renamed numDescendants. numChild can lead one to think its * its just the kids and not further descendants. * In fact there should be 2 methods: numDescendants, numChildren * * @return the number of features contained anywhere under this FeatureSet */ public int getNumberOfDescendents() { return 0; } private SeqFeature queryFeature; /** Query feats hold cigars. This gives hit feats access to query feat & its cigar */ public void setQueryFeature(SeqFeature queryFeat) { this.queryFeature = queryFeat; } public int getHstart() { return getStart(); } public int getHend () { return getEnd(); } public int getHlow() { return getLow(); } public int getHhigh() { return getHigh(); } public int getHstrand() { return getStrand(); } } ","Java" "Codon","Ensembl/ensembl-compara","scripts/synteny/apollo/datamodel/Range.java",".java","5748","224"," /* * This is a trimmed version of Apollo's module that only supplieds the * fields needed by the BuildSynteny program. */ package apollo.datamodel; public class Range { // ----------------------------------------------------------------------- // Instance variables // ----------------------------------------------------------------------- protected int low = -1; protected int high = -1; protected byte strand = 0; protected String name = null; protected String type = null; public Range () {} /** Range with NO_NAME name */ public Range(int start, int end) { this(null,start,end); } public Range (String name, int start, int end) { setName (name); setStrand (start <= end ? 1 : -1); setStart(start); setEnd(end); } /** Returns true if same start,end,type and name. This could potentially be changed to equals, theres implications there for hashing. A range and its clone will be identical barring modifications. */ public boolean isIdentical(Range range) { if (this == range) return true; // Features have to have same type,range, AND name return (range.getFeatureType().equals(getFeatureType()) && sameRange(range) && range.getName().equals(getName())); } public void setName(String name) { this.name = name; /* if (name == null) { throw new NullPointerException(""Range.setName: can't accept feature name of null. "" + ""Use Range.NO_NAME instead.""); } else if (!name.equals("""")) this.name = name;*/ } public String getName() { return name; } public boolean hasName() { return (name != null) && !name.equals(""""); } /** getType is not the ""visual"" type, ie the type one sees in the EvidencePanel. getType returns the ""logical"" type(the type from the data). These are the types in the squiggly brackets in the tiers file that map to the visual type listed before the squigglies. gui.scheme.FeatureProperty maps logical types to visual types (convenience function in DetailInfo.getPropertyType) */ public String getFeatureType() { return this.type; } public void setFeatureType(String type) { if(type == null) { throw new NullPointerException(""Range.setFeatureType: can't accept feature type of null. "" + ""Use SeqFeature.NO_TYPE or 'SeqFeature.NO_TYPE' instead.""); } else if (!type.equals("""")) this.type = type; } public boolean hasFeatureType() { return ! (getFeatureType() == null); } /** @return 1 for forward strand, -1 for reverse strand, 0 for strandless */ public int getStrand() { return (int)this.strand; } /** Convenience method for getStrand() == 1 */ public boolean isForwardStrand() { return getStrand() == 1; } public void setStrand(int strand) { this.strand = (byte)strand; } public void setStart(int start) { // check if strand is proper given start value? if (getStrand() == -1) { high = start; } else { low = start; } } public int getStart() { return (getStrand() == -1 ? high : low); } public void setEnd(int end) { if (getStrand() == -1) { low = end; } else { high = end; } } public int getEnd() { return (getStrand() == -1 ? low : high); } public int getLow() { return this.low; } public void setLow(int low) { // check if low < high - if not switch, and switch strand? this.low = low; } public int getHigh() { return this.high; } public void setHigh(int high) { this.high = high; } public String getStartAsString() { return String.valueOf(new Integer(getStart())); } public String getEndAsString() { return String.valueOf(new Integer(getEnd())); } // These are all overlap methods public int getLeftOverlap(Range sf) { return (getLow() - sf.getLow()); } public int getRightOverlap(Range sf) { return (sf.getHigh() - getHigh()); } public boolean isExactOverlap (Range sf) { if (getLeftOverlap(sf) == 0 && getRightOverlap(sf) == 0 && getStrand() == sf.getStrand()) { return true; } else { return false; } } public boolean contains(Range sf) { if (overlaps(sf) && getLeftOverlap(sf) <= 0 && getRightOverlap(sf) <= 0 && getStrand() == sf.getStrand()) { return true; } else { return false; } } public boolean contains(int position) { return (position >= getLow() && position <= getHigh()); } public boolean overlaps(Range sf) { return (getLow() <= sf.getHigh() && getHigh() >= sf.getLow() && getStrand() == sf.getStrand()); } /** Return true if start and end are equal */ public boolean sameRange(Range r) { return getStart() == r.getStart() && getEnd() == r.getEnd(); } public int length() { return (getHigh() - getLow() + 1); } /** If SeqFeature is an instanceof FeatureSet and FeatureSet.hasChildFeatures is true then true. Basically convenience method that does the awkward instanceof for you. */ public boolean canHaveChildren() { return false; } /** Return true if range has not been assigned high & low */ public boolean rangeIsUnassigned() { return low == -1 && high == -1; } public void convertFromBaseOrientedToInterbase() { --low; } public void convertFromInterbaseToBaseOriented() { ++low; } public String toString() { return ""Range[name="" + name + "",type="" + type + "",low="" + low + "",high="" + high + "",strand="" + strand + ""]""; } } ","Java" "Codon","Ensembl/ensembl-compara","scripts/synteny/apollo/io/FileParse.java",".java","4431","156","/* Jalview - a java multiple alignment editor * Copyright (C) 1998 Michele Clamp * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU General Public License * as published by the Free Software Foundation; either version 2 * of the License, or (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. */ /* * This is a trimmed version of Apollo's module that only supplieds the * fields needed by the BuildSynteny program. */ package apollo.io; import java.lang.String; import java.util.StringTokenizer; import java.util.Vector; import java.io.File; import java.io.IOException; import java.io.DataInputStream; import java.io.BufferedInputStream; import java.io.BufferedReader; import java.io.FileInputStream; import java.io.InputStreamReader; import java.net.URL; import java.net.URLConnection; import java.net.MalformedURLException; public class FileParse { public File inFile; public int fileSize; int bytes_read = 0; public byte[] dataArray; public Vector lineArray; public int noLines; String inType; URL url; URLConnection urlconn; public FileParse() {} public FileParse(String fileStr, String type) throws MalformedURLException, IOException { this.inType = type; //System.err.println(""Input type = "" + type); //System.err.println(""Input name = "" + fileStr); if (type.equals(""File"")) { this.inFile = new File(fileStr); this.fileSize = (int)inFile.length(); // System.err.println(""File: "" + inFile); // System.err.println(""Bytes: "" + fileSize); } if (type.equals(""URL"")) { url = new URL(fileStr); this.fileSize = 0; urlconn = url.openConnection(); // printinfo(urlconn); } } public void readLines(String inStr) { StringTokenizer str = new StringTokenizer(inStr,""\n""); lineArray = new Vector(); while (str.hasMoreTokens()) { lineArray.addElement(str.nextToken()); } noLines = lineArray.size(); } public void readLines() throws IOException { String line; this.lineArray = new Vector(); BufferedReader dataIn; if (inType.equals(""File"")) { //Using a bis reduces the file reading time by about a factor of 3 dataIn = new BufferedReader(new InputStreamReader(new FileInputStream(inFile))); } else { dataIn = new BufferedReader(new InputStreamReader(urlconn.getInputStream())); } while ((line = dataIn.readLine()) != null) { lineArray.addElement(line); } noLines = lineArray.size(); } public Vector splitLine(char splitChar, int element) { Vector wordVector = new Vector(); String line = lineArray.elementAt(element); char[] charArray = line.toCharArray(); int i = 0; int letter = 0; char[] word = new char[line.length()]; char prev_char = '\n'; //System.err.println(""\nBefore loop""); // System.err.println(""line "" + line + ""\nsplitChar :"" + splitChar + "":""); //System.err.println(line.length()); for (i = 0; i < line.length() ; i++ ) { if (charArray[i] != splitChar) { word[letter] = charArray[i]; prev_char = charArray[i]; letter++; } else { if ((prev_char != splitChar) && (prev_char != '\n')) { wordVector.addElement(new String(word)); letter = 0; word = null; word = new char[line.length()]; prev_char = charArray[i]; // System.err.println(""word: "" + wordVector.lastElement() + "":""); } } } //Tack on the last word into the vector - unless we have an empty line //or if we have a splitchar at the end of the line if (line.length() != 0) { if (charArray[line.length() - 1] != splitChar) { wordVector.addElement(new String(word)); } } else { //returns null vector if empty line return(null); } return(wordVector); } } ","Java" "Codon","Ensembl/ensembl-compara","scripts/synteny/apollo/util/QuickSort.java",".java","4516","241"," /* * This is a trimmed version of Apollo's module that only supplieds the * fields needed by the BuildSynteny program. */ package apollo.util; public class QuickSort { public static void sort(double[] arr,Object[] s) { doubleSort(arr,0,arr.length-1,s); } public static void sort(double[] arr,Object[] s, int len) { doubleSort(arr,0,len-1,s); } public static void sort(float[] arr,Object[] s) { sort(arr,0,arr.length-1,s); } public static void sort(long[] arr,Object[] s) { longSort(arr,0,arr.length-1,s); } public static void sort(String[] arr,Object[] s) { stringSort(arr,0,arr.length-1,s); } public static void sort(int[] arr,Object[] s) { intSort(arr,0,arr.length-1,s); } public static void reverse(Object[] s) { int length = s.length; if(length>0) { int middle; if(length%2 >0) middle = (length-1)/2; else middle = length / 2; length--; for(int i=0;i x); do { i = i+1; } while (arr[i] < x); if ( i < j) { double tmp = arr[i]; arr[i] = arr[j]; arr[j] = tmp; Object tmp2 = s[i]; s[i] = s[j]; s[j] = tmp2; } else { return j; } } } private static int partition(float[] arr, int p, int r,Object[] s) { float x = arr[p]; int i = p-1; int j = r+1; while(true) { do { j = j-1; } while (arr[j] > x); do { i = i+1; } while (arr[i] < x); if ( i < j) { float tmp = arr[i]; arr[i] = arr[j]; arr[j] = tmp; Object tmp2 = s[i]; s[i] = s[j]; s[j] = tmp2; } else { return j; } } } private static int longPartition(long[] arr, int p, int r,Object[] s) { float x = arr[p]; int i = p-1; int j = r+1; while(true) { do { j = j-1; } while (arr[j] > x); do { i = i+1; } while (arr[i] < x); if ( i < j) { long tmp = arr[i]; arr[i] = arr[j]; arr[j] = tmp; Object tmp2 = s[i]; s[i] = s[j]; s[j] = tmp2; } else { return j; } } } private static int intPartition(int[] arr, int p, int r,Object[] s) { int x = arr[p]; int i = p-1; int j = r+1; while(true) { do { j = j-1; } while (arr[j] > x); do { i = i+1; } while (arr[i] < x); if ( i < j) { int tmp = arr[i]; arr[i] = arr[j]; arr[j] = tmp; Object tmp2 = s[i]; s[i] = s[j]; s[j] = tmp2; } else { return j; } } } private static int stringPartition(String[] arr, int p, int r,Object[] s) { String x = arr[p]; int i = p-1; int j = r+1; while(true) { do { j = j-1; } while (arr[j].compareTo(x) < 0); do { i = i+1; } while (arr[i].compareTo(x) > 0); if ( i < j) { String tmp = arr[i]; arr[i] = arr[j]; arr[j] = tmp; Object tmp2 = s[i]; s[i] = s[j]; s[j] = tmp2; } else { return j; } } } } ","Java" "Codon","Ensembl/ensembl-compara","scripts/homology/plotLorentzCurve.r",".r","1536","43","#!/usr/bin/env Rscript # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. #How to plot the Jaccard index: #Rscript plotLorentzCurve.r args = commandArgs(trailingOnly=TRUE) if (length(args)==0) { stop(""Missing arguments: Rscript plotLorentzCurve.r "", call.=FALSE) } library(ineq) library(scales) pdf(args[2]) A <- read.table(args[1],header=FALSE, sep=""\t"") current<-as.numeric(A$V2) previous<-as.numeric(A$V1) lorentz_curve_current<-Lc(current, n = rep(1,length(current)), plot =F) clorentz_curve_previous<-Lc(previous, n = rep(1,length(previous)), plot =F) plot(clorentz_curve_previous, col=""red"",lty=1,lwd=3,main=""Lorenz Curve of cluster size distributions"",xlab=""percentage of clusters"", ylab=""percentage of cluster size "" ) lines(lorentz_curve_current,lty=1, lwd=3,col=""blue"") legend(""topleft"", c( ""previous"", ""current"" ), lty=c(1,1), lwd=3, col=c(""red"", ""blue"")) dev.off() ","R" "Codon","Ensembl/ensembl-compara","scripts/homology/plotGocData.r",".r","15583","317","#!/usr/bin/env Rscript # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. #Data can be exctracted from the database by running the generateGocBreakout.pl script: # perl generateGocBreakout.pl -outdir /homes/mateus/goc -user ensro -database mateus_tuatara_86 -hostname mysql-treefam-prod:4401 #How to plot the data: # Rscript plotGocData.r your_tree.newick /your/output_directory/ your_reference_species_file args = commandArgs(trailingOnly = TRUE) if (length(args) != 3) { stop('Four arguments are required: tree_file out_dir reference_species_file') } tree_file = args[1] out_dir = args[2] reference_species_file = args[3] #File with one reference species per line library(ape) library(reshape2) library(ggplot2) heatmap.phylo = function(x_mat, tree_row, tree_col, filename, maintitle, ...) { # x_mat: numeric matrix, with rows and columns labelled with species names # tree_row: phylogenetic tree (class phylo) to be used in rows # tree_col: phylogenetic tree (class phylo) to be used in columns # filename: path to SVG for saving plot # maintitle: title for plot # ... additional arguments to be passed to image function pdf(filename, width=10, height=10) # The matrix needs to be re-ordered, to match the order of the tree tips. tree_row_is_tip = tree_row$edge[,2] <= length(tree_row$tip) tree_row_tip_index = tree_row$edge[tree_row_is_tip, 2] tree_row_tip_names = tree_row$tip[tree_row_tip_index] tree_col_is_tip = tree_col$edge[,2] <= length(tree_col$tip) tree_col_tip_index = tree_col$edge[tree_col_is_tip, 2] tree_col_tip_names = tree_col$tip[tree_col_tip_index] x_mat = x_mat[tree_row_tip_names, tree_col_tip_names] # Work out the axes limits, then set up a 3x3 grid for plotting x_lim = c(0.5, ncol(x_mat)+0.5) y_lim = c(0.5, nrow(x_mat)+0.5) layout(matrix(c(0,1,2,3,4,5,0,6,0), nrow=3, byrow=TRUE), width=c(1,3,1.5), height=c(1,3,1.5)) # Plot tree downwards, at top of plot par(mar=c(0,0,2,0)) plot(tree_col, direction='downwards', show.tip.label=FALSE, xaxs='i', x.lim=x_lim, main=maintitle) # Add legend plot(NA, axes=FALSE, ylab='', xlab='', ylim=c(0,1), xlim=c(0,1)) legend('center', c('10%', '20%', '30%', '40%', '50%', '60%', '70%', '80%', '90%', '100%'), ncol=2, ...) # Plot tree on left side of plot par(mar=rep(0,4)) plot(tree_row, direction='rightwards', show.tip.label=FALSE, yaxs='i', y.lim=y_lim) # Plot heatmap par(mar=rep(0,4), xpd=TRUE) image((1:nrow(x_mat))-0.5, (1:ncol(x_mat))-0.5, x_mat, xaxs='i', yaxs='i', axes=FALSE, xlab='',ylab='', ...) # Plot names on right side of plot par(mar=rep(0,4)) plot(NA, axes=FALSE, ylab='', xlab='', yaxs='i', xlim=c(0,2), ylim=y_lim) text(rep(0, nrow(x_mat)), 1:nrow(x_mat), gsub('_', ' ', tree_row_tip_names), pos=4) # Plot names on bottom of plot par(mar=rep(0,4)) plot(NA, axes=FALSE, ylab='', xlab='', xaxs='i', ylim=c(0,2), xlim=x_lim) text(1:ncol(x_mat), rep(2,ncol(x_mat)), gsub('_', ' ', tree_col_tip_names), srt=90, pos=2, offset=0) dev.off() } #------------------------------------------------------------------------- # Barplots with topology #------------------------------------------------------------------------- barplot.phylo <- function(x_df, x_df_cols, x_df_labels, species, tree_row, filename, ...) { # x_df: dataframe with columns name1 and name2 with species names # x_df_cols: list of column names from the data frame to plot # x_df_labels: list of labels to use in legend # species: species name # tree_row: phylogenetic tree (class phylo) to be used in rows # filename: path to SVG for saving plot # ... additional arguments to be passed to image function pdf(filename, width=10, height=6) # The dataframe needs to be re-ordered, to match the order of the tree tips. tree_row_is_tip = tree_row$edge[,2] <= length(tree_row$tip) tree_row_tip_index = tree_row$edge[tree_row_is_tip, 2] tree_row_tip_names = tree_row$tip[tree_row_tip_index] x_df = subset(x_df, name2 == species, select=c('name1', x_df_cols)) x_df = x_df[match(tree_row_tip_names, x_df$name1),] x_df = subset(x_df, select=x_df_cols) x_mat = data.matrix(x_df) # Work out the axis limits, then set up a 2x3 grid for plotting maintitle = paste('GOC score distribution for', gsub('_', ' ', species)) y_lim = c(0.5, nrow(x_df)+0.5) layout(matrix(c(0,1,0,2,3,4),nrow=2, byrow=TRUE), width=c(1,3,1), height=c(0.2,3)) # Add title par(mar=c(0,0,2,0)) plot(NA, axes=FALSE, main=maintitle, xlim=c(0,1), ylim=c(0,1)) # Plot tree on left side of plot par(mar=c(2,0,0,0)) plot(tree_row, direction='rightwards', show.tip.label=FALSE, yaxs='i', y.lim=y_lim) # Add legend legend('topleft', x_df_labels, ...) # Plot bar chart par(mar=c(2,0,0,0)) barplot(t(x_mat/rowSums(x_mat)), horiz=TRUE, xaxs='i', yaxs='i', axisnames=FALSE, xlab='',ylab='', ...) # Plot names on right side of plot par(mar=c(2,0,0,0)) plot(NA, axes=FALSE, ylab='', xlab='', yaxs='i', xlim=c(0,2), ylim=y_lim) text(rep(0, nrow(x_mat)), 1:nrow(x_mat), gsub('_', ' ', tree_row_tip_names), pos=4) dev.off() } phylo_tree = read.tree(paste(out_dir, tree_file, sep='/')) phylo_tree = ladderize(collapse.singles(phylo_tree), FALSE) goc_summary = read.delim(paste(out_dir, ""heatmap.data"", sep='/'), sep=""\t"", header=TRUE, na.strings=c('NULL')) goc_0_matrix = as.matrix(acast(goc_summary, name1~name2, value.var='goc_eq_0')) goc_25_matrix = as.matrix(acast(goc_summary, name1~name2, value.var='goc_gte_25')) goc_50_matrix = as.matrix(acast(goc_summary, name1~name2, value.var='goc_gte_50')) goc_75_matrix = as.matrix(acast(goc_summary, name1~name2, value.var='goc_gte_75')) goc_100_matrix = as.matrix(acast(goc_summary, name1~name2, value.var='goc_eq_100')) n_goc_cols = c('n_goc_0', 'n_goc_25', 'n_goc_50', 'n_goc_75', 'n_goc_100') n_goc_labels = c('GOC score = 0', 'GOC score = 25', 'GOC score = 50', 'GOC score = 75', 'GOC score = 100') heatmap_col = rev(heat.colors(10)) barplot_col = rainbow(length(n_goc_cols)) #------------------------------------------------------------------------- # Heatmaps #------------------------------------------------------------------------- heatmap.phylo(goc_0_matrix, phylo_tree, phylo_tree, paste(out_dir, 'goc_0.pdf', sep='/'), 'Percentage of orthologs with GOC score = 0', col=heatmap_col, fill=heatmap_col, border=heatmap_col) heatmap.phylo(goc_25_matrix, phylo_tree, phylo_tree, paste(out_dir, 'goc_25.pdf', sep='/'), 'Percentage of orthologs with GOC score >= 25', col=heatmap_col, fill=heatmap_col, border=heatmap_col) heatmap.phylo(goc_50_matrix, phylo_tree, phylo_tree, paste(out_dir, 'goc_50.pdf', sep='/'), 'Percentage of orthologs with GOC score >= 50', col=heatmap_col, fill=heatmap_col, border=heatmap_col) heatmap.phylo(goc_75_matrix, phylo_tree, phylo_tree, paste(out_dir, 'goc_75.pdf', sep='/'), 'Percentage of orthologs with GOC score >= 75', col=heatmap_col, fill=heatmap_col, border=heatmap_col) heatmap.phylo(goc_100_matrix, phylo_tree, phylo_tree, paste(out_dir, 'goc_100.pdf', sep='/'), 'Percentage of orthologs with GOC score = 100', col=heatmap_col, fill=heatmap_col, border=heatmap_col) for (species in levels(goc_summary$name1)) { filename = paste(out_dir, paste('goc_', species, '.pdf', sep=''), sep='/') barplot.phylo(goc_summary, n_goc_cols, n_goc_labels, species, phylo_tree, filename, fill=barplot_col, col=barplot_col) } #------------------------------------------------------------------------- # Barplots sorted by GOC scores #------------------------------------------------------------------------- # Gene count #--------------------------------------------------------------------------------------------------- pdf(paste(out_dir, 'gene_count.pdf', sep='/'),width=6,height=4,paper='special') num_of_genes_dat = read.delim(paste(out_dir, 'gene_count.data', sep='/'), sep=""\t"", header=TRUE, na.strings=c('NULL')) num_of_genes_plot <- melt(num_of_genes_dat, id.vars='species') ggplot(num_of_genes_plot, aes(x=species, y=value)) + geom_bar(stat='identity') + facet_grid(.~variable) + coord_flip() + labs(x='',y='') + theme(text = element_text(size=5)) + theme(axis.text.x = element_text(size=rel(0.4))) # Orthologues count #--------------------------------------------------------------------------------------------------- pdf(paste(out_dir, 'number_of_orthologues.pdf', sep='/'),width=6,height=4,paper='special') num_of_orthologues_dat = read.delim(paste(out_dir, 'homology.data', sep='/'), sep=""\t"", header=TRUE, na.strings=c('NULL')) num_of_orthologues_plot <- melt(num_of_orthologues_dat, id.vars='species') options(scipen=10000) ggplot(num_of_orthologues_plot, aes(x=species, y=value)) + geom_bar(stat='identity') + facet_grid(.~variable) + coord_flip() + labs(x='',y='') + theme(text = element_text(size=5)) + theme(axis.text.x = element_text(size=rel(0.8))) # References above 100 #--------------------------------------------------------------------------------------------------- reference_species = read.delim(reference_species_file, sep=""\n"", header=FALSE, na.strings=c('NULL')) file_name = paste(out_dir, 'ordered_goc_100_refernces.pdf', sep='/') pdf(file_name,width=6,height=4,paper='special') for (ref_species in levels(reference_species$V1)) { raw_data = read.delim( paste(paste(out_dir,ref_species,sep='/'), ""_ref.dat"", sep=''), header = TRUE, sep = "";"") names(raw_data) <- c(""Species"", ""Proportion"", ""GOC"", ""taxon"") raw_data$GOC = as.factor(sapply(raw_data$GOC , function(x){as.numeric(strsplit(as.character(x), split = ""X_"")[[1]][2])})) # Capitalize and replace the underscore with a space raw_data$Species = as.factor(sapply(raw_data$Species, function(x){paste(toupper(substring(x, 1,1)), chartr(old=""_"", new="" "", substring(x, 2)), sep="""")})) x = raw_data[raw_data$GOC == ""100"",] s = x$Proportion #y = raw_data[raw_data$GOC == ""75"",] #z = raw_data[raw_data$GOC == ""50"",] #s = x$Proportion + y$Proportion + z$Proportion species_list = x[rev(order(s)),]$Species taxon_list = x[rev(order(s)),]$taxon sorted_species_list = rev(species_list) sorted_taxon_list = rev(taxon_list) list = c(""Crocodylia"" = ""chartreuse4"" , ""Aves"" = ""blue"" , ""Squamata"" = ""darkorange2"" , ""Mammalia"" = ""red"" , ""Neopterygii"" = ""darkcyan"" , ""Testudines"" = ""black"" , ""Amphibia"" = ""deeppink"") raw_data$Species = factor(raw_data$Species, levels = sorted_species_list) raw_data$Taxonomy = sapply(raw_data$taxon, function(x){attributes(list[list == x])[[1]]}) if (ref_species == ""homo_sapiens"") { ref_species = ""human"" } else if (ref_species == ""sphenodon_punctatus"") { ref_species = ""tuatara"" } graph_title = paste(""GOC score distribution (reference: "", ref_species, ""), ordered by GOC=100"",sep='') #graph_title = paste(""GOC score distribution (reference: "", ref_species, ""), ordered by GOC>=50"",sep='') print (ggplot(data = raw_data, aes(x = Species, y = Proportion, fill = GOC, colour = Taxonomy)) + geom_bar(stat=""identity"", size = 0) + coord_flip() + theme(axis.text.y = element_text(colour = as.character(sorted_taxon_list)) , axis.text=element_text(size=7)) + ggtitle(graph_title) + theme(plot.title = element_text(size = 7, face = ""bold"")) + guides(colour = guide_legend(override.aes = list(size=1))) + scale_colour_manual(values = list) ) } # References above threshold with splits #--------------------------------------------------------------------------------------------------- file_name = paste(out_dir, 'above_with_splits_references.pdf', sep='/') pdf(file_name,width=6,height=4,paper='special') for (ref_species in levels(reference_species$V1)) { raw_data = read.delim( paste(paste(out_dir,ref_species,sep='/'), ""_above_with_splits.dat"", sep=''), header = TRUE, sep = "";"") x <- raw_data[raw_data$threshold == ""above"",] species_list <- x[rev(order(x$goc)),]$species taxon_list <- x[rev(order(x$goc)),]$taxon sorted_species_list <- rev(species_list) sorted_taxon_list <- rev(taxon_list) list <- c(""Crocodylia"" = ""chartreuse4"" , ""Aves"" = ""blue"" , ""Squamata"" = ""darkorange2"" , ""Mammalia"" = ""red"" , ""Neopterygii"" = ""darkcyan"" , ""Testudines"" = ""black"" , ""Amphibia"" = ""deeppink"") raw_data$species <- factor(raw_data$species, levels = sorted_species_list) raw_data$taxonomy <- sapply(raw_data$taxon, function(x){attributes(list[list == x])[[1]]}) if (ref_species == ""homo_sapiens"") { ref_species = ""human"" } else if (ref_species == ""sphenodon_punctatus"") { ref_species = ""tuatara"" } graph_title = paste(""GOC scores above and under 50, reference: "",ref_species,sep='') print (ggplot(data = raw_data, aes(x = species, y = goc, fill = threshold, colour = taxonomy)) + geom_bar(stat=""identity"", size = 0) + coord_flip() + theme(axis.text.y = element_text(colour = as.character(sorted_taxon_list)) , axis.text=element_text(size=7)) + ggtitle(graph_title) + theme(plot.title = element_text(size = 7, face = ""bold"")) + guides(colour = guide_legend(override.aes = list(size=1))) + scale_colour_manual(values = list) ) } # References above threshold without splits #--------------------------------------------------------------------------------------------------- file_name = paste(out_dir, 'above_threshold_references.pdf', sep='/') pdf(file_name,width=6,height=4,paper='special') for (ref_species in levels(reference_species$V1)) { raw_data = read.delim( paste(paste(out_dir,ref_species,sep='/'), ""_ref_above_threshold.dat"", sep=''), header = TRUE, sep = "";"") species_list <- raw_data[rev(order(raw_data$perc_orth_above_goc_thresh)),]$species taxon_list <- raw_data[rev(order(raw_data$perc_orth_above_goc_thresh)),]$taxon sorted_species_list <- rev(species_list) sorted_taxon_list <- rev(taxon_list) raw_data$species <- factor(raw_data$species, levels = sorted_species_list) graph_title = paste(""Number of GOC>=50, reference: "",ref_species,sep='') print(ggplot(data = raw_data[,c(1:2)], aes(x = species, y = perc_orth_above_goc_thresh, fill = perc_orth_above_goc_thresh)) + geom_bar(stat=""identity"") + coord_flip() + theme(axis.text.y = element_text(colour = c(sorted_taxon_list)), axis.text=element_text(size=7)) + ggtitle(""Number of GOC>=50: Tuatara as reference"") + theme(plot.title = element_text(size = 7, face = ""bold"")) ) } ","R" "Codon","Ensembl/ensembl-compara","scripts/homology/prep_qfo_proteomes.py",".py","12052","280","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Prepare QfO reference proteome files for processing."""""" import argparse import json import logging import os from pathlib import Path import re import string from tarfile import TarFile from tempfile import TemporaryDirectory from typing import Dict, Union from Bio import SeqIO import pandas as pd def generate_production_name(species_name: str) -> str: """"""Returns a production name generated from the given species name."""""" unqualified_species_name = re.sub(r""\(.+$"", """", species_name).rstrip() underscored_species_name = re.sub(r""\s+"", ""_"", unqualified_species_name) lowercased_species_name = underscored_species_name.lower() return re.sub(""[^a-z0-9_]"", """", lowercased_species_name) def parse_qfo_proteome_table(qfo_readme_file: Union[Path, str]) -> pd.DataFrame: """"""Parse table in QfO reference proteome README file. Args: qfo_readme_file: Input QfO reference proteome README file. Returns: A pandas DataFrame containing QfO reference proteome metadata. """""" # This dict holds key meta-info about the format of the table in the QfO README file. By default, the # table format meta-info of the most recent known release is used, so it should be possible to use this # script on subsequent releases, provided that the table format has not changed since the most recent # release included here. If there have been changes to the table format, you may need to update this dict # with the new header line and updated sanitised column names. (Why sanitise the column names? Keeping # them consistent, valid as Python identifiers etc. makes it easier to handle the proteome metadata.) release_meta = { ""2015_to_2020"": { ""header"": ""Proteome_ID Tax_ID OSCODE #(1) #(2) #(3) Species Name"", ""columns"": [ ""proteome_id"", ""tax_id"", ""oscode"", ""num_canonical"", ""num_additional"", ""num_gene2acc"", ""species_name"" ], ""releases"": [""2015_04"", ""2016_04"", ""2017_04"", ""2018_04"", ""2019_04""] }, ""2020_to_date"": { ""header"": ""Proteome_ID Tax_ID OSCODE SUPERREGNUM #(1) #(2) #(3) Species_Name"", ""columns"": [ ""proteome_id"", ""tax_id"", ""oscode"", ""superregnum"", ""num_canonical"", ""num_additional"", ""num_gene2acc"", ""species_name"" ], ""releases"": [""2020_04"", ""2021_03"", ""2022_02""] }, } release_to_header: Dict = {} release_to_columns: Dict = {} for meta in release_meta.values(): release_to_header.update(dict.fromkeys(meta[""releases""], meta[""header""])) release_to_columns.update(dict.fromkeys(meta[""releases""], meta[""columns""])) # Release '2020_04' README contains a table with # post-2020 columns underneath a pre-2020 header. release_to_header[""2020_04""] = release_meta[""2015_to_2020""][""header""] release_re = re.compile(r""Release (?P[0-9]{4}_[0-9]{2}), [0-9]{2}-[A-Z][a-z]+-[0-9]{4}"") release = None table_lines = [] with open(qfo_readme_file) as file_obj: exp_header_line = None reading_table = False for line in file_obj: line = line.rstrip(""\n"") if not reading_table: release_line_match = release_re.fullmatch(line) if release_line_match: release = release_line_match[""release""] try: exp_header_line = release_to_header[release] except KeyError: release = max(release_to_header.keys()) exp_header_line = release_to_header[release] elif exp_header_line and line == exp_header_line: reading_table = True continue else: if not line: break table_lines.append(line) if not table_lines: raise RuntimeError(f""failed to extract QfO proteome table from '{qfo_readme_file}'"") max_split = len(release_to_columns[release]) - 1 rows = [x.split(maxsplit=max_split) for x in table_lines] proteome_meta = pd.DataFrame(rows, columns=release_to_columns[release]) prod_names = proteome_meta[""species_name""].apply(generate_production_name) if prod_names.duplicated().any(): dup_prod_names = set(prod_names[prod_names.duplicated()]) raise ValueError(f""duplicate species production name(s): {','.join(dup_prod_names)}"") proteome_meta[""production_name""] = prod_names # With consistently ordered proteome metadata, # it will be easier to track meaningful changes. proteome_meta.sort_values(by=""production_name"", inplace=True) return proteome_meta if __name__ == ""__main__"": parser = argparse.ArgumentParser(description=""Prepare QfO reference proteome files for processing."") parser.add_argument(""qfo_archive"", help=""Input QfO archive file."") parser.add_argument(""meta_file"", help=""Output JSON file of proteome metadata."") parser.add_argument(""output_dir"", help=""Directory to which proteome data will be output."") parser.add_argument(""--disallow-ambiguity-codes"", action=""store_true"", help=""Filter out CDS FASTA records containing symbols"" "" other than 'A', 'C', 'G', 'T' or 'N'."") parser.add_argument(""--skip-invalid-cds"", action=""store_true"", help=""Skip CDS FASTA records with invalid DNA sequence."") parser.add_argument(""--stats-file"", metavar=""PATH"", help=""Output TSV file of proteome prep stats."") args = parser.parse_args() valid_cds_symbols = set(""ABCDGHKMNRSTVWY"" ""abcdghkmnrstvwy"") strict_cds_symbols = set(""ACGTN"" ""acgtn"") valid_aa_symbols = set(string.ascii_letters) with TarFile.open(args.qfo_archive) as tar_file, TemporaryDirectory() as tmp_dir: tar_file.extract(""README"", tmp_dir) readme_file = os.path.join(tmp_dir, ""README"") uniprot_meta = parse_qfo_proteome_table(readme_file) fa_name_to_tar_info = {} for tar_info in tar_file.getmembers(): if tar_info.isfile() and tar_info.name.endswith("".fasta""): fa_name = os.path.basename(tar_info.name) fa_name_to_tar_info[fa_name] = tar_info out_dir = os.path.abspath(args.output_dir) os.makedirs(out_dir, exist_ok=True) prep_stats = [] source_meta = [] for row in uniprot_meta.itertuples(): exp_cds_fa_name = f""{row.proteome_id}_{row.tax_id}_DNA.fasta"" cds_member = fa_name_to_tar_info[exp_cds_fa_name] exp_prot_fa_name = f""{row.proteome_id}_{row.tax_id}.fasta"" prot_member = fa_name_to_tar_info[exp_prot_fa_name] tar_file.extractall(tmp_dir, [cds_member, prot_member]) in_cds_file_path = os.path.join(tmp_dir, cds_member.name) out_cds_file_path = os.path.join(out_dir, f""{row.tax_id}_{row.production_name}.cds.fasta"") cds_ids = set() num_part_ambig_cds = 0 num_invalid_cds = 0 skipped_ambig_cds_ids = set() skipped_invalid_cds_ids = set() with open(in_cds_file_path) as in_file_obj, open(out_cds_file_path, ""w"") as out_file_obj: for rec in SeqIO.parse(in_file_obj, ""fasta""): db_name, uniq_id, entry_name = rec.id.split(""|"") seq_symbols = set(str(rec.seq)) issues = [] action = ""keeping"" if (seq_symbols & valid_cds_symbols) - strict_cds_symbols: if args.disallow_ambiguity_codes: skipped_ambig_cds_ids.add(uniq_id) issues.append(""disallowed ambiguity codes"") action = ""skipping"" num_part_ambig_cds += 1 if seq_symbols - valid_cds_symbols: if args.skip_invalid_cds: skipped_invalid_cds_ids.add(uniq_id) issues.append(""invalid sequence"") action = ""skipping"" num_invalid_cds += 1 if issues: logging.warning(""FASTA record '%s' in '%s' has %s, %s"", rec.id, cds_member.name, "" and "".join(issues), action) if action == ""skipping"": continue SeqIO.write([rec], out_file_obj, ""fasta"") cds_ids.add(uniq_id) skipped_cds_ids = skipped_ambig_cds_ids | skipped_invalid_cds_ids os.remove(in_cds_file_path) in_prot_file_path = os.path.join(tmp_dir, prot_member.name) out_prot_file_path = os.path.join(out_dir, f""{row.tax_id}_{row.production_name}.prot.fasta"") num_canonical = 0 num_without_cds = 0 num_prepped = 0 with open(in_prot_file_path) as in_file_obj, open(out_prot_file_path, ""w"") as out_file_obj: for rec in SeqIO.parse(in_file_obj, ""fasta""): db_name, uniq_id, entry_name = rec.id.split(""|"") if not set(str(rec.seq)) <= valid_aa_symbols: raise ValueError( f""FASTA record '{rec.id}' in '{prot_member.name}' has invalid AA sequence"") if uniq_id in cds_ids: SeqIO.write([rec], out_file_obj, ""fasta"") num_prepped += 1 elif uniq_id not in skipped_cds_ids: logging.warning(""FASTA record '%s' in '%s' has no CDS, skipping"", rec.id, cds_member.name) num_without_cds += 1 num_canonical += 1 os.remove(in_prot_file_path) source_meta.append({ ""production_name"": row.production_name, ""taxonomy_id"": int(row.tax_id), ""cds_fasta"": out_cds_file_path, ""prot_fasta"": out_prot_file_path, ""source"": ""uniprot"" }) prep_stats.append({ ""production_name"": row.production_name, ""num_canonical"": num_canonical, ""num_part_ambig_cds"": num_part_ambig_cds, ""num_invalid_cds"": num_invalid_cds, ""num_skipped_cds"": len(skipped_cds_ids), ""num_without_cds"": num_without_cds, ""num_prepped"": num_prepped }) with open(args.meta_file, ""w"") as out_file_obj: json.dump(source_meta, out_file_obj, indent=4) if args.stats_file: stats_df = pd.DataFrame(prep_stats) stats_df.sort_values(by=""production_name"", inplace=True) stats_df.to_csv(args.stats_file, sep=""\t"", index=False) ","Python" "Codon","Ensembl/ensembl-compara","scripts/homology/plotJaccardIndex.r",".r","1321","33","#!/usr/bin/env Rscript # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. #How to plot the Jaccard index: #Rscript plotJaccardIndex.r args = commandArgs(trailingOnly=TRUE) if (length(args)==0) { stop(""Missing arguments: Rscript plotJaccardIndex.r "", call.=FALSE) } library(ggplot2) pdf(args[2]) ji_vertebrate = read.delim(args[1], sep=""\t"", header=FALSE) ggplot(ji_vertebrate, aes(ji_vertebrate$V2)) + geom_density() + geom_vline(aes(xintercept=0)) + xlim(0, 1.25) + theme(legend.text=element_text(size=10)) + theme(axis.text.x=element_text(size=10),axis.text.y=element_text(size=10),axis.title.x=element_text(size=10),axis.title.y=element_text(size=10)) dev.off() ","R" "Codon","Ensembl/ensembl-compara","scripts/pipeline/symlink_prev_dump.py",".py","6329","145","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Create symlinks to previously dumped Compara data files."""""" import argparse import json import os from pathlib import Path import shutil from tempfile import TemporaryDirectory if __name__ == ""__main__"": parser = argparse.ArgumentParser(description=__doc__) parser.add_argument( ""--curr_ftp_dump_root"", required=True, help=""Main dump root directory of the current Ensembl release."" ) parser.add_argument( ""--prev_ftp_dump_root"", required=True, help=""Main dump root directory of previous Ensembl release."" ) parser.add_argument( ""--curr_ftp_pub_root"", required=True, help=""FTP publication root directory of current release."" ) parser.add_argument( ""--prev_ftp_pub_root"", required=True, help=""FTP publication root directory of previous release."" ) parser.add_argument( ""--mlss_path_type"", required=True, choices=[""archive"", ""directory""], help=""MLSS path type."" ) parser.add_argument( ""--mlss_path"", required=True, help=""MLSS dump path relative to the main dump root directory."" ) parser.add_argument(""--mlss_id"", required=True, help=""MLSS ID of dumped data."") parser.add_argument(""--dataflow_file"", required=True, help=""Output JSON file to dataflow missing MLSSes."") args = parser.parse_args() curr_ftp_dump_root = Path(args.curr_ftp_dump_root) prev_ftp_dump_root = Path(args.prev_ftp_dump_root) curr_ftp_pub_root = Path(args.curr_ftp_pub_root) prev_ftp_pub_root = Path(args.prev_ftp_pub_root) mlss_path = Path(args.mlss_path) dataflow_file = Path(args.dataflow_file) known_standin_mlss_ids = [""ANCESTRAL_ALLELES""] try: mlss_id = int(args.mlss_id) except ValueError as exc: if args.mlss_id in known_standin_mlss_ids: mlss_id = args.mlss_id else: raise ValueError(f""invalid MLSS ID: {args.mlss_id}"") from exc if not curr_ftp_dump_root.is_absolute(): raise ValueError( f""value of --curr_ftp_dump_root must be an absolute path,"" f"" but appears to be relative: {str(curr_ftp_dump_root)!r}"" ) if not prev_ftp_dump_root.is_absolute(): raise ValueError( f""value of --prev_ftp_dump_root must be an absolute path,"" f"" but appears to be relative: {str(prev_ftp_dump_root)!r}"" ) if not curr_ftp_pub_root.is_absolute(): raise ValueError( f""value of --curr_ftp_pub_root must be an absolute path,"" f"" but appears to be relative: {str(curr_ftp_pub_root)!r}"" ) if not prev_ftp_pub_root.is_absolute(): raise ValueError( f""value of --prev_ftp_pub_root must be an absolute path,"" f"" but appears to be relative: {str(prev_ftp_pub_root)!r}"" ) if args.mlss_path_type == ""archive"": root_to_mlss_dir_path = mlss_path.parent path_spec = f""{mlss_path.name}*"" elif args.mlss_path_type == ""directory"": root_to_mlss_dir_path = mlss_path path_spec = ""*"" else: raise ValueError(f""unknown MLSS path type: {args.mlss_path_type}"") prev_mlss_dir_path = prev_ftp_dump_root / root_to_mlss_dir_path prev_mlss_file_paths = list(prev_mlss_dir_path.glob(path_spec)) if args.mlss_path_type == ""archive"" and len(prev_mlss_file_paths) > 1: raise RuntimeError( f""path spec {path_spec!r} matches multiple archive files in directory {str(prev_mlss_dir_path)!r}"" ) dataflow_events = [] if prev_mlss_file_paths: curr_to_prev_root_path = Path(os.path.relpath(prev_ftp_pub_root, start=curr_ftp_pub_root)) curr_mlss_dir_path = curr_ftp_dump_root / root_to_mlss_dir_path mlss_dir_to_root_path = os.path.relpath(curr_ftp_dump_root, start=curr_mlss_dir_path) symlink_pairs = [] for prev_mlss_file_path in prev_mlss_file_paths: root_to_mlss_file_path = root_to_mlss_dir_path / prev_mlss_file_path.name new_symlink_target = mlss_dir_to_root_path / curr_to_prev_root_path / root_to_mlss_file_path if prev_mlss_file_path.is_symlink(): prev_symlink_target = Path(os.readlink(prev_mlss_file_path)) if not prev_symlink_target.is_absolute(): new_symlink_target = Path( os.path.normpath(new_symlink_target.parent / prev_symlink_target) ) curr_mlss_file_path = curr_ftp_dump_root / root_to_mlss_file_path symlink_pairs.append((new_symlink_target, curr_mlss_file_path)) with TemporaryDirectory(dir=curr_mlss_dir_path, prefix="".symlink_tmp_"") as tmp_dir: for new_symlink_target, curr_mlss_file_path in symlink_pairs: tmp_mlss_file_path = os.path.join(tmp_dir, curr_mlss_file_path.name) os.symlink(new_symlink_target, tmp_mlss_file_path) shutil.move(tmp_mlss_file_path, curr_mlss_file_path) else: # We cannot currently dataflow standin MLSS IDs. if mlss_id in known_standin_mlss_ids: raise RuntimeError( f""cannot symlink {mlss_id} data - file not found in"" f"" previous release dump {str(prev_ftp_dump_root)!r}"" ) dataflow_branch = 2 dataflow_json = json.dumps({""missing_mlss_id"": args.mlss_id}) dataflow_events.append(f""{dataflow_branch} {dataflow_json}"") os.makedirs(dataflow_file.parent, mode=0o775, exist_ok=True) with open(dataflow_file, ""w"") as out_file_obj: for dataflow_event in dataflow_events: print(dataflow_event, file=out_file_obj) ","Python" "Codon","Ensembl/ensembl-compara","scripts/pipeline/xmlschema_validate.py",".py","2042","57","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Script to validate XML data file against the given schema. Unknown options are ignored. """""" import argparse import sys from warnings import warn import xmlschema if __name__ == ""__main__"": parser = argparse.ArgumentParser(description=__doc__) parser.add_argument(""--schema"", dest=""schema_file"", metavar=""schema_file"", required=True, help=""Schema file against which to validate."") parser.add_argument(""data_file"", help=""XML data file to be validated against the schema."") known_args, other_args = parser.parse_known_args() schema = xmlschema.XMLSchema(known_args.schema_file) max_attempts = 3 default_recursion_limit = sys.getrecursionlimit() for attempt in range(1, max_attempts + 1): # A few trees hit the default recursion limit, so # bump it up if we are retrying after a RecursionError. curr_recursion_limit = attempt * default_recursion_limit sys.setrecursionlimit(curr_recursion_limit) try: schema.validate(known_args.data_file) except RecursionError as exc: if attempt < max_attempts: warn( f""XML schema validation hit recursion limit {curr_recursion_limit}"" f"" in attempt {attempt}, retrying"" ) continue raise exc ","Python" "Codon","Ensembl/ensembl-compara","scripts/pipeline/add_hmm_lib.py",".py","7662","196","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Add HMM library archive to flat-file dump."""""" import argparse import os from pathlib import Path import subprocess import shutil from tempfile import TemporaryDirectory if __name__ == ""__main__"": parser = argparse.ArgumentParser(description=__doc__) parser.add_argument( ""--curr_ftp_dump_root"", required=True, help=""Main dump root directory of the current Ensembl release."", ) parser.add_argument( ""--prev_ftp_dump_root"", required=True, help=""Main dump root directory of previous Ensembl release."", ) parser.add_argument( ""--curr_ftp_pub_root"", required=True, help=""FTP publication root directory of current release."", ) parser.add_argument( ""--prev_ftp_pub_root"", required=True, help=""FTP publication root directory of previous release."", ) parser.add_argument( ""--hmm_library_basedir"", required=True, help=""Path of HMM library base directory."", ) parser.add_argument( ""--ref_tar_path_templ"", required=True, help=""Template of reference HMM library tar archive path."", ) parser.add_argument( ""--tar_dir_path"", required=True, help=""Path of directory containing archive, relative to the main dump root directory."", ) args = parser.parse_args() curr_ftp_dump_root = Path(args.curr_ftp_dump_root) prev_ftp_dump_root = Path(args.prev_ftp_dump_root) curr_ftp_pub_root = Path(args.curr_ftp_pub_root) prev_ftp_pub_root = Path(args.prev_ftp_pub_root) hmm_library_basedir = Path(args.hmm_library_basedir) tar_dir_path = Path(args.tar_dir_path) library_name = hmm_library_basedir.name ref_tar_path = Path(args.ref_tar_path_templ % library_name) ref_tar_md5sum_path = ref_tar_path.with_suffix("".gz.md5sum"") if not curr_ftp_dump_root.is_absolute(): raise ValueError( f""value of --curr_ftp_dump_root must be an absolute path,"" f"" but appears to be relative: {str(curr_ftp_dump_root)!r}"" ) if not prev_ftp_dump_root.is_absolute(): raise ValueError( f""value of --prev_ftp_dump_root must be an absolute path,"" f"" but appears to be relative: {str(prev_ftp_dump_root)!r}"" ) if not curr_ftp_pub_root.is_absolute(): raise ValueError( f""value of --curr_ftp_pub_root must be an absolute path,"" f"" but appears to be relative: {str(curr_ftp_pub_root)!r}"" ) if not prev_ftp_pub_root.is_absolute(): raise ValueError( f""value of --prev_ftp_pub_root must be an absolute path,"" f"" but appears to be relative: {str(prev_ftp_pub_root)!r}"" ) if tar_dir_path.is_absolute(): raise ValueError( f""value of --tar_dir_path must be a relative path,"" f"" but appears to be absolute: {str(tar_dir_path)!r}"" ) with TemporaryDirectory() as tmp_dir: tmp_dir_path = Path(tmp_dir) tar_file_confirmed_ok = False if ref_tar_path.is_file(): md5sum_check_cmd_args = [""md5sum"", ""--check"", str(ref_tar_md5sum_path)] try: output = subprocess.check_output( md5sum_check_cmd_args, cwd=ref_tar_md5sum_path.parent, encoding=""utf-8"", text=True ) except subprocess.CalledProcessError: pass else: output = output.rstrip() if output == f""{ref_tar_path.name}: OK"": tar_file_confirmed_ok = True if not tar_file_confirmed_ok: tmp_ref_tar_path = tmp_dir_path / ref_tar_path.name tmp_ref_tar_md5sum_path = tmp_dir_path / f""{ref_tar_path.name}.md5sum"" tar_czf_cmd_args = [ ""tar"", ""czf"", str(tmp_ref_tar_path), ""-C"", str(hmm_library_basedir.parent), library_name, ] subprocess.run(tar_czf_cmd_args, check=True) gzip_test_cmd_args = [ ""gzip"", ""--test"", str(tmp_ref_tar_path), ] subprocess.run(gzip_test_cmd_args, check=True) md5sum_gen_cmd_args = [ ""md5sum"", tmp_ref_tar_path.name, ] with open(tmp_ref_tar_md5sum_path, mode=""w"", encoding=""utf-8"") as out_file_obj: subprocess.run( md5sum_gen_cmd_args, stdout=out_file_obj, cwd=tmp_dir_path, encoding=""utf-8"", check=True ) shutil.move(tmp_ref_tar_path, ref_tar_path) shutil.move(tmp_ref_tar_md5sum_path, ref_tar_md5sum_path) prev_compara_dir_path = prev_ftp_dump_root / tar_dir_path prev_hmm_tar_file_path = None if prev_compara_dir_path.is_dir(): path_spec = ""multi_division_hmm_lib*.tar.gz"" prev_hmm_tar_file_paths = list(prev_compara_dir_path.glob(path_spec)) if len(prev_hmm_tar_file_paths) == 1: prev_hmm_tar_file_path = prev_hmm_tar_file_paths[0] elif len(prev_hmm_tar_file_paths) > 1: raise RuntimeError( f""path spec {path_spec!r} matches multiple archive"" f"" files in directory {str(prev_compara_dir_path)!r}"" ) curr_compara_dir_path = curr_ftp_dump_root / tar_dir_path curr_hmm_tar_file_path = curr_compara_dir_path / ref_tar_path.name os.makedirs(curr_compara_dir_path, mode=0o775, exist_ok=True) if prev_hmm_tar_file_path and ( ref_tar_path.name == prev_hmm_tar_file_path.name # pylint: disable=consider-using-in # HMM lib files will retain the library name from e114 onwards, # so from e115, it should be safe to delete the following line. or prev_hmm_tar_file_path.name == ""multi_division_hmm_lib.tar.gz"" ): compara_dir_to_root_path = os.path.relpath(curr_ftp_dump_root, start=curr_compara_dir_path) curr_to_prev_root_path = Path(os.path.relpath(prev_ftp_pub_root, start=curr_ftp_pub_root)) new_symlink_target = ( compara_dir_to_root_path / curr_to_prev_root_path / tar_dir_path / prev_hmm_tar_file_path.name ) if prev_hmm_tar_file_path.is_symlink(): prev_symlink_target = Path(os.readlink(prev_hmm_tar_file_path)) if not prev_symlink_target.is_absolute(): new_symlink_target = Path(os.path.normpath(new_symlink_target.parent / prev_symlink_target)) with TemporaryDirectory(dir=curr_compara_dir_path, prefix="".symlink_tmp_"") as tmp_dir: tmp_hmm_tar_file_path = os.path.join(tmp_dir, curr_hmm_tar_file_path.name) os.symlink(new_symlink_target, tmp_hmm_tar_file_path) shutil.move(tmp_hmm_tar_file_path, curr_hmm_tar_file_path) else: shutil.copyfile(ref_tar_path, curr_hmm_tar_file_path) ","Python" "Codon","Ensembl/ensembl-compara","scripts/pipeline/time_pipeline.py",".py","6711","185","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """""" Script to calculate real time duration of a pipeline """""" import sys import re import argparse from typing import Any, Union from datetime import datetime, timedelta from sqlalchemy import create_engine, text def die_with_help() -> None: """""" print helptext and exit """""" helptext = """""" time_pipeline.py -url [options] -url | --database_url URL for pipeline database -a | --analyses_pattern include only some analyses (format: ""1"", ""1..10"", ""1,2,3"") -l | --analyses_list file containing list of logic_names -g | --gap_list print list summary of gaps found -h | --help this help menu """""" die_with_message(helptext) def die_with_message(message: str) -> None: """""" print message and exit """""" print(message) sys.exit(1) def formulate_condition(analyses_pattern: str, analyses_list: str) -> str: """""" formulate WHERE SQL condition from analyses_pattern """""" condition = '' if analyses_pattern: a_range = re.match(r'(\d+)\.\.(\d+)', analyses_pattern) if a_range: condition = f"" WHERE analysis_id BETWEEN {a_range.group(1)} AND {a_range.group(2)}"" else: condition = f"" WHERE analysis_id IN ({analyses_pattern})"" elif analyses_list: try: with open(analyses_list) as f: logic_names = [f""'{x.strip()}'"" for x in f.readlines()] if len(logic_names) < 1: die_with_message(f""File '{analyses_list}' is empty"") condition = f"" WHERE logic_name IN ({','.join(logic_names)})"" except FileNotFoundError: die_with_message(f""Cannot find analyses_list file: {analyses_list}"") return condition def parse_args(argv: list) -> argparse.Namespace: """""" parse the command-line arguments """""" parser = argparse.ArgumentParser() parser.add_argument('-url', '--database_url') parser.add_argument('-a', '--analyses_pattern') parser.add_argument('-l', '--analyses_list') parser.add_argument('-g', '--gap_list', action='store_true', default=False) opts = parser.parse_args(argv[1:]) if not opts.database_url: die_with_help() if opts.analyses_pattern and opts.analyses_list: print(""--analyses_pattern and --analyses_list are mutually exclusive\n"") die_with_help() return opts def main(opts: argparse.Namespace) -> None: """""" main """""" # figure out analyses_pattern condition = formulate_condition(opts.analyses_pattern, opts.analyses_list) # set up db connection and fetch role data engine = create_engine(opts.database_url, future=True) connection = engine.connect() sql = ""SELECT role_id, logic_name, when_started, when_finished FROM role"" sql += "" JOIN analysis_base USING(analysis_id)"" sql += condition + "" ORDER BY role_id"" result = connection.execute(text(sql)) # loop through roles and find runtime gaps runtime_gaps = [] mins15 = timedelta(minutes=15) prev_role = {} now = datetime.now() pipeline_start = '' # type: Union[Any, datetime] pipeline_total_runtime = timedelta() for result_mapping in result.mappings(): role = dict(result_mapping) # Initalize start/finish times if pipeline_start == '': pipeline_start = role['when_started'] prev_role = role # Skip this if the pipeline is stil running elif prev_role['when_finished'] is not None: # Gap detection if role['when_started'] > prev_role['when_finished']: this_gap = role['when_started'] - prev_role['when_finished'] if this_gap > mins15: gap_desc = { 'role_id_a': prev_role['role_id'], 'analysis_a': prev_role['logic_name'], 'role_id_b': role['role_id'], 'analysis_b': role['logic_name'], 'gap': this_gap } runtime_gaps.append(gap_desc) if (role['when_finished'] is None) or (role['when_finished'] > prev_role['when_finished']): prev_role = dict(role) pipeline_total_runtime += (role['when_finished'] or now) - role['when_started'] if pipeline_start == '': print(""Pipeline hasn't started yet !"") sys.exit(1) # get overall timings pipeline_finish = prev_role['when_finished'] pipeline_gross_time = (pipeline_finish or now) - pipeline_start gaps_total = timedelta(minutes=0) for gap in runtime_gaps: gaps_total += gap['gap'] pipeline_net_time = pipeline_gross_time - gaps_total average_running_jobs = pipeline_total_runtime.total_seconds() / pipeline_gross_time.total_seconds() # print summaries print(""\nPipeline duration summary:"") if pipeline_finish: print(f""\t- began at {pipeline_start} and ended at {pipeline_finish}"") else: print(f""\t- began at {pipeline_start} and still running"") print(f""\t- {pipeline_gross_time} including runtime gaps"") print(f""\t- {pipeline_net_time} excluding runtime gaps"") print(f""\t- {pipeline_total_runtime} total runtime"") print(f""\t- {average_running_jobs:.1f} running jobs on average"") print(f""\t- {len(runtime_gaps)} gaps detected, totalling {gaps_total}"") if opts.gap_list: print_gaps(runtime_gaps) print() def print_gaps(runtime_gaps: list) -> None: """"""print the runtime gaps identified above"""""" print(""\nGaps list:"") for gap in runtime_gaps: analysis_str = '' if gap['analysis_a'] == gap['analysis_b']: analysis_str = f""during {gap['analysis_a']}"" else: analysis_str = f""between {gap['analysis_a']} and {gap['analysis_b']}"" print( f""\t- {gap['gap']} between role_ids {gap['role_id_a']} and {gap['role_id_b']} ({analysis_str})"" ) if __name__ == ""__main__"": main(parse_args(sys.argv)) ","Python" "Codon","Ensembl/ensembl-compara","scripts/pipeline/symlink_fasta.py",".py","2565","67","#!/usr/bin/env python3 # See the NOTICE file distributed with this work for additional information # regarding copyright ownership. # # Licensed under the Apache License, Version 2.0 (the ""License""); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an ""AS IS"" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """"""Script to create and optionally cleanup symlinks in a central location"""""" import argparse import glob import os import re import sys from pathlib import Path parser = argparse.ArgumentParser() parser.add_argument('-c', '--cleanup_symlinks', action='store_true') parser.add_argument('-s', '--symlink_dir') group = parser.add_mutually_exclusive_group(required=True) # Only one of target_dir or target_file can be specified group.add_argument('-d', '--target_dir') group.add_argument('-t', '--target_file') opts = parser.parse_args(sys.argv[1:]) target_dir = opts.target_dir symlink_dir = opts.symlink_dir target_file = opts.target_file # Create symlink directory if doesn't exist Path(symlink_dir).mkdir(parents=True, exist_ok=True) # Clean up the broken symlinks - these should be due to genome retirement if opts.cleanup_symlinks: for link in glob.glob(os.path.join(symlink_dir, '**/*.fasta'), recursive=True): if not os.path.exists(os.readlink(link)): print(f'Broken symlink: {link} to be removed') os.remove(link) # Collect all the genome fasta files and symlink them if target_dir: for fasta_file in glob.glob(os.path.join(target_dir, '**/*.fasta'), recursive=True): # Skip split fasta files if re.search(r'split\b', fasta_file): continue file_name = os.path.basename(fasta_file) symlink_path = os.path.join(symlink_dir, file_name) if not os.path.exists(symlink_path): print(f'New symlink: {symlink_path} created for target: {fasta_file}') os.symlink(fasta_file, symlink_path) else: file_prefix = os.path.basename(target_file) symlink_path = os.path.join(symlink_dir, file_prefix) if not os.path.exists(symlink_path): print(f'New symlink: {symlink_path} created for target: {target_file}') os.symlink(target_file, symlink_path) ","Python"