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author | davidvanzessen |
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date | Mon, 17 Jul 2017 07:44:27 -0400 |
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#!/usr/bin/env python3 """ Create tab-delimited database file to store sequence alignment information """ # Info __author__ = 'Namita Gupta, Jason Anthony Vander Heiden' from changeo import __version__, __date__ # Imports import os import sys from argparse import ArgumentParser from collections import OrderedDict from textwrap import dedent from time import time from Bio import SeqIO # Presto and changeo imports from presto.Defaults import default_out_args from presto.Annotation import parseAnnotation from presto.IO import countSeqFile, printLog, printMessage, printProgress, readSeqFile from changeo.Commandline import CommonHelpFormatter, checkArgs, getCommonArgParser, parseCommonArgs from changeo.IO import countDbFile, extractIMGT, getDbWriter, readRepo from changeo.Parsers import IgBLASTReader, IMGTReader, IHMMuneReader, getIDforIMGT def getFilePrefix(aligner_output, out_args): """ Get file name prefix and create output directory Arguments: aligner_output : aligner output file or directory. out_args : dictionary of output arguments. Returns: str : file name prefix. """ # Determine output directory if not out_args['out_dir']: out_dir = os.path.dirname(os.path.abspath(aligner_output)) else: out_dir = os.path.abspath(out_args['out_dir']) if not os.path.exists(out_dir): os.mkdir(out_dir) # Determine file prefix if out_args['out_name']: file_prefix = out_args['out_name'] else: file_prefix = os.path.splitext(os.path.split(os.path.abspath(aligner_output))[1])[0] return os.path.join(out_dir, file_prefix) def getSeqDict(seq_file): """ Create a dictionary from a sequence file. Arguments: seq_file : sequence file. Returns: dict : sequence description as keys with Bio.SeqRecords as values. """ seq_dict = SeqIO.to_dict(readSeqFile(seq_file), key_function=lambda x: x.description) return seq_dict def writeDb(db, fields, file_prefix, total_count, id_dict=None, no_parse=True, partial=False, out_args=default_out_args): """ Writes tab-delimited database file in output directory. Arguments: db : a iterator of IgRecord objects containing alignment data. fields : a list of ordered field names to write. file_prefix : directory and prefix for CLIP tab-delim file. total_count : number of records (for progress bar). id_dict : a dictionary of the truncated sequence ID mapped to the full sequence ID. no_parse : if ID is to be parsed for pRESTO output with default delimiters. partial : if True put incomplete alignments in the pass file. out_args : common output argument dictionary from parseCommonArgs. Returns: None """ # Function to check for valid records strictly def _pass_strict(rec): valid = [rec.v_call and rec.v_call != 'None', rec.j_call and rec.j_call != 'None', rec.functional is not None, rec.seq_vdj, rec.junction] return all(valid) # Function to check for valid records loosely def _pass_gentle(rec): valid = [rec.v_call and rec.v_call != 'None', rec.d_call and rec.d_call != 'None', rec.j_call and rec.j_call != 'None'] return any(valid) # Set pass criteria _pass = _pass_gentle if partial else _pass_strict # Define output file names pass_file = '%s_db-pass.tab' % file_prefix fail_file = '%s_db-fail.tab' % file_prefix # Initiate handles, writers and counters pass_handle = None fail_handle = None pass_writer = None fail_writer = None start_time = time() rec_count = pass_count = fail_count = 0 # Validate and write output printProgress(0, total_count, 0.05, start_time) for i, record in enumerate(db, start=1): # Replace sequence description with full string, if required if id_dict is not None and record.id in id_dict: record.id = id_dict[record.id] # Parse sequence description into new columns if not no_parse: try: record.annotations = parseAnnotation(record.id, delimiter=out_args['delimiter']) record.id = record.annotations['ID'] del record.annotations['ID'] # TODO: This is not the best approach. should pass in output fields. # If first record, use parsed description to define extra columns if i == 1: fields.extend(list(record.annotations.keys())) except IndexError: # Could not parse pRESTO-style annotations so fall back to no parse no_parse = True sys.stderr.write('\nWARNING: Sequence annotation format not recognized. Sequence headers will not be parsed.\n') # Count pass or fail and write to appropriate file if _pass(record): # Open pass file if pass_writer is None: pass_handle = open(pass_file, 'wt') pass_writer = getDbWriter(pass_handle, add_fields=fields) # Write row to pass file pass_count += 1 pass_writer.writerow(record.toDict()) else: # Open failed file if out_args['failed'] and fail_writer is None: fail_handle = open(fail_file, 'wt') fail_writer = getDbWriter(fail_handle, add_fields=fields) # Write row to fail file if specified fail_count += 1 if fail_writer is not None: fail_writer.writerow(record.toDict()) # Print progress printProgress(i, total_count, 0.05, start_time) # Print consol log log = OrderedDict() log['OUTPUT'] = pass_file log['PASS'] = pass_count log['FAIL'] = fail_count log['END'] = 'MakeDb' printLog(log) if pass_handle is not None: pass_handle.close() if fail_handle is not None: fail_handle.close() # TODO: may be able to merge with other mains def parseIMGT(aligner_output, seq_file=None, no_parse=True, partial=False, parse_scores=False, parse_regions=False, parse_junction=False, out_args=default_out_args): """ Main for IMGT aligned sample sequences. Arguments: aligner_output : zipped file or unzipped folder output by IMGT. seq_file : FASTA file input to IMGT (from which to get seqID). no_parse : if ID is to be parsed for pRESTO output with default delimiters. partial : If True put incomplete alignments in the pass file. parse_scores : if True add alignment score fields to output file. parse_regions : if True add FWR and CDR region fields to output file. out_args : common output argument dictionary from parseCommonArgs. Returns: None """ # Print parameter info log = OrderedDict() log['START'] = 'MakeDb' log['ALIGNER'] = 'IMGT' log['ALIGNER_OUTPUT'] = aligner_output log['SEQ_FILE'] = os.path.basename(seq_file) if seq_file else '' log['NO_PARSE'] = no_parse log['PARTIAL'] = partial log['SCORES'] = parse_scores log['REGIONS'] = parse_regions log['JUNCTION'] = parse_junction printLog(log) start_time = time() printMessage('Loading sequence files', start_time=start_time, width=25) # Extract IMGT files temp_dir, imgt_files = extractIMGT(aligner_output) # Count records in IMGT files total_count = countDbFile(imgt_files['summary']) # Get (parsed) IDs from fasta file submitted to IMGT id_dict = getIDforIMGT(seq_file) if seq_file else {} printMessage('Done', start_time=start_time, end=True, width=25) # Parse IMGT output and write db with open(imgt_files['summary'], 'r') as summary_handle, \ open(imgt_files['gapped'], 'r') as gapped_handle, \ open(imgt_files['ntseq'], 'r') as ntseq_handle, \ open(imgt_files['junction'], 'r') as junction_handle: parse_iter = IMGTReader(summary_handle, gapped_handle, ntseq_handle, junction_handle, parse_scores=parse_scores, parse_regions=parse_regions, parse_junction=parse_junction) file_prefix = getFilePrefix(aligner_output, out_args) writeDb(parse_iter, parse_iter.fields, file_prefix, total_count, id_dict=id_dict, no_parse=no_parse, partial=partial, out_args=out_args) # Cleanup temp directory temp_dir.cleanup() return None # TODO: may be able to merge with other mains def parseIgBLAST(aligner_output, seq_file, repo, no_parse=True, partial=False, parse_regions=False, parse_scores=False, parse_igblast_cdr3=False, out_args=default_out_args): """ Main for IgBLAST aligned sample sequences. Arguments: aligner_output : IgBLAST output file to process. seq_file : fasta file input to IgBlast (from which to get sequence). repo : folder with germline repertoire files. no_parse : if ID is to be parsed for pRESTO output with default delimiters. partial : If True put incomplete alignments in the pass file. parse_regions : if True add FWR and CDR fields to output file. parse_scores : if True add alignment score fields to output file. parse_igblast_cdr3 : if True parse CDR3 sequences generated by IgBLAST out_args : common output argument dictionary from parseCommonArgs. Returns: None """ # Print parameter info log = OrderedDict() log['START'] = 'MakeDB' log['ALIGNER'] = 'IgBlast' log['ALIGNER_OUTPUT'] = os.path.basename(aligner_output) log['SEQ_FILE'] = os.path.basename(seq_file) log['NO_PARSE'] = no_parse log['PARTIAL'] = partial log['SCORES'] = parse_scores log['REGIONS'] = parse_regions printLog(log) start_time = time() printMessage('Loading sequence files', start_time=start_time, width=25) # Count records in sequence file total_count = countSeqFile(seq_file) # Get input sequence dictionary seq_dict = getSeqDict(seq_file) # Create germline repo dictionary repo_dict = readRepo(repo) printMessage('Done', start_time=start_time, end=True, width=25) # Parse and write output with open(aligner_output, 'r') as f: parse_iter = IgBLASTReader(f, seq_dict, repo_dict, parse_scores=parse_scores, parse_regions=parse_regions, parse_igblast_cdr3=parse_igblast_cdr3) file_prefix = getFilePrefix(aligner_output, out_args) writeDb(parse_iter, parse_iter.fields, file_prefix, total_count, no_parse=no_parse, partial=partial, out_args=out_args) return None # TODO: may be able to merge with other mains def parseIHMM(aligner_output, seq_file, repo, no_parse=True, partial=False, parse_scores=False, parse_regions=False, out_args=default_out_args): """ Main for iHMMuneAlign aligned sample sequences. Arguments: aligner_output : iHMMune-Align output file to process. seq_file : fasta file input to iHMMuneAlign (from which to get sequence). repo : folder with germline repertoire files. no_parse : if ID is to be parsed for pRESTO output with default delimiters. partial : If True put incomplete alignments in the pass file. parse_scores : if True parse alignment scores. parse_regions : if True add FWR and CDR region fields. out_args : common output argument dictionary from parseCommonArgs. Returns: None """ # Print parameter info log = OrderedDict() log['START'] = 'MakeDB' log['ALIGNER'] = 'iHMMune-Align' log['ALIGNER_OUTPUT'] = os.path.basename(aligner_output) log['SEQ_FILE'] = os.path.basename(seq_file) log['NO_PARSE'] = no_parse log['PARTIAL'] = partial log['SCORES'] = parse_scores log['REGIONS'] = parse_regions printLog(log) start_time = time() printMessage('Loading sequence files', start_time=start_time, width=25) # Count records in sequence file total_count = countSeqFile(seq_file) # Get input sequence dictionary seq_dict = getSeqDict(seq_file) # Create germline repo dictionary repo_dict = readRepo(repo) printMessage('Done', start_time=start_time, end=True, width=25) # Parse and write output with open(aligner_output, 'r') as f: parse_iter = IHMMuneReader(f, seq_dict, repo_dict, parse_scores=parse_scores, parse_regions=parse_regions) file_prefix = getFilePrefix(aligner_output, out_args) writeDb(parse_iter, parse_iter.fields, file_prefix, total_count, no_parse=no_parse, partial=partial, out_args=out_args) return None def getArgParser(): """ Defines the ArgumentParser. Returns: argparse.ArgumentParser """ fields = dedent( ''' output files: db-pass database of alignment records with functionality information, V and J calls, and a junction region. db-fail database with records that fail due to no functionality information (did not pass IMGT), no V call, no J call, or no junction region. universal output fields: SEQUENCE_ID, SEQUENCE_INPUT, SEQUENCE_VDJ, SEQUENCE_IMGT, FUNCTIONAL, IN_FRAME, STOP, MUTATED_INVARIANT, INDELS, V_CALL, D_CALL, J_CALL, V_SEQ_START, V_SEQ_LENGTH, D_SEQ_START, D_SEQ_LENGTH, D_GERM_START, D_GERM_LENGTH, J_SEQ_START, J_SEQ_LENGTH, J_GERM_START, J_GERM_LENGTH, JUNCTION_LENGTH, JUNCTION, NP1_LENGTH, NP2_LENGTH, FWR1_IMGT, FWR2_IMGT, FWR3_IMGT, FWR4_IMGT, CDR1_IMGT, CDR2_IMGT, CDR3_IMGT imgt specific output fields: V_GERM_START_IMGT, V_GERM_LENGTH_IMGT, N1_LENGTH, N2_LENGTH, P3V_LENGTH, P5D_LENGTH, P3D_LENGTH, P5J_LENGTH, D_FRAME, V_SCORE, V_IDENTITY, J_SCORE, J_IDENTITY, igblast specific output fields: V_GERM_START_VDJ, V_GERM_LENGTH_VDJ, V_EVALUE, V_SCORE, V_IDENTITY, V_BTOP, J_EVALUE, J_SCORE, J_IDENTITY, J_BTOP. CDR3_IGBLAST_NT, CDR3_IGBLAST_AA ihmm specific output fields: V_GERM_START_VDJ, V_GERM_LENGTH_VDJ, HMM_SCORE ''') # Define ArgumentParser parser = ArgumentParser(description=__doc__, epilog=fields, formatter_class=CommonHelpFormatter) parser.add_argument('--version', action='version', version='%(prog)s:' + ' %s-%s' %(__version__, __date__)) subparsers = parser.add_subparsers(title='subcommands', dest='command', help='Aligner used', metavar='') # TODO: This is a temporary fix for Python issue 9253 subparsers.required = True # Parent parser parser_parent = getCommonArgParser(seq_in=False, seq_out=False, log=False) # IgBlast Aligner parser_igblast = subparsers.add_parser('igblast', parents=[parser_parent], formatter_class=CommonHelpFormatter, help='Process IgBLAST output.', description='Process IgBLAST output.') parser_igblast.add_argument('-i', nargs='+', action='store', dest='aligner_outputs', required=True, help='''IgBLAST output files in format 7 with query sequence (IgBLAST argument \'-outfmt "7 std qseq sseq btop"\').''') parser_igblast.add_argument('-r', nargs='+', action='store', dest='repo', required=True, help='''List of folders and/or fasta files containing IMGT-gapped germline sequences corresponding to the set of germlines used in the IgBLAST alignment.''') parser_igblast.add_argument('-s', action='store', nargs='+', dest='seq_files', required=True, help='''List of input FASTA files (with .fasta, .fna or .fa extension), containing sequences.''') parser_igblast.add_argument('--noparse', action='store_true', dest='no_parse', help='''Specify to prevent input sequence headers from being parsed to add new columns to database. Parsing of sequence headers requires headers to be in the pRESTO annotation format, so this should be specified when sequence headers are incompatible with the pRESTO annotation scheme. Note, unrecognized header formats will default to this behavior.''') parser_igblast.add_argument('--partial', action='store_true', dest='partial', help='''If specified, include incomplete V(D)J alignments in the pass file instead of the fail file.''') parser_igblast.add_argument('--scores', action='store_true', dest='parse_scores', help='''Specify if alignment score metrics should be included in the output. Adds the V_SCORE, V_IDENTITY, V_EVALUE, V_BTOP, J_SCORE, J_IDENTITY, J_BTOP, and J_EVALUE columns.''') parser_igblast.add_argument('--regions', action='store_true', dest='parse_regions', help='''Specify if IMGT FWR and CDRs should be included in the output. Adds the FWR1_IMGT, FWR2_IMGT, FWR3_IMGT, FWR4_IMGT, CDR1_IMGT, CDR2_IMGT, and CDR3_IMGT columns.''') parser_igblast.add_argument('--cdr3', action='store_true', dest='parse_igblast_cdr3', help='''Specify if the CDR3 sequences generated by IgBLAST should be included in the output. Adds the columns CDR3_IGBLAST_NT and CDR3_IGBLAST_AA. Requires IgBLAST version 1.5 or greater.''') parser_igblast.set_defaults(func=parseIgBLAST) # IMGT aligner parser_imgt = subparsers.add_parser('imgt', parents=[parser_parent], formatter_class=CommonHelpFormatter, help='''Process IMGT/HighV-Quest output (does not work with V-QUEST).''', description='''Process IMGT/HighV-Quest output (does not work with V-QUEST).''') parser_imgt.add_argument('-i', nargs='+', action='store', dest='aligner_outputs', help='''Either zipped IMGT output files (.zip or .txz) or a folder containing unzipped IMGT output files (which must include 1_Summary, 2_IMGT-gapped, 3_Nt-sequences, and 6_Junction).''') parser_imgt.add_argument('-s', nargs='*', action='store', dest='seq_files', required=False, help='''List of input FASTA files (with .fasta, .fna or .fa extension) containing sequences.''') parser_imgt.add_argument('--noparse', action='store_true', dest='no_parse', help='''Specify to prevent input sequence headers from being parsed to add new columns to database. Parsing of sequence headers requires headers to be in the pRESTO annotation format, so this should be specified when sequence headers are incompatible with the pRESTO annotation scheme. Note, unrecognized header formats will default to this behavior.''') parser_imgt.add_argument('--partial', action='store_true', dest='partial', help='''If specified, include incomplete V(D)J alignments in the pass file instead of the fail file.''') parser_imgt.add_argument('--scores', action='store_true', dest='parse_scores', help='''Specify if alignment score metrics should be included in the output. Adds the V_SCORE, V_IDENTITY, J_SCORE and J_IDENTITY.''') parser_imgt.add_argument('--regions', action='store_true', dest='parse_regions', help='''Specify if IMGT FWRs and CDRs should be included in the output. Adds the FWR1_IMGT, FWR2_IMGT, FWR3_IMGT, FWR4_IMGT, CDR1_IMGT, CDR2_IMGT, and CDR3_IMGT columns.''') parser_imgt.add_argument('--junction', action='store_true', dest='parse_junction', help='''Specify if detailed junction fields should be included in the output. Adds the columns N1_LENGTH, N2_LENGTH, P3V_LENGTH, P5D_LENGTH, P3D_LENGTH, P5J_LENGTH, D_FRAME.''') parser_imgt.set_defaults(func=parseIMGT) # iHMMuneAlign Aligner parser_ihmm = subparsers.add_parser('ihmm', parents=[parser_parent], formatter_class=CommonHelpFormatter, help='Process iHMMune-Align output.', description='Process iHMMune-Align output.') parser_ihmm.add_argument('-i', nargs='+', action='store', dest='aligner_outputs', required=True, help='''iHMMune-Align output file.''') parser_ihmm.add_argument('-r', nargs='+', action='store', dest='repo', required=True, help='''List of folders and/or FASTA files containing IMGT-gapped germline sequences corresponding to the set of germlines used in the IgBLAST alignment.''') parser_ihmm.add_argument('-s', action='store', nargs='+', dest='seq_files', required=True, help='''List of input FASTA files (with .fasta, .fna or .fa extension) containing sequences.''') parser_ihmm.add_argument('--noparse', action='store_true', dest='no_parse', help='''Specify to prevent input sequence headers from being parsed to add new columns to database. Parsing of sequence headers requires headers to be in the pRESTO annotation format, so this should be specified when sequence headers are incompatible with the pRESTO annotation scheme. Note, unrecognized header formats will default to this behavior.''') parser_ihmm.add_argument('--partial', action='store_true', dest='partial', help='''If specified, include incomplete V(D)J alignments in the pass file instead of the fail file.''') parser_ihmm.add_argument('--scores', action='store_true', dest='parse_scores', help='''Specify if alignment score metrics should be included in the output. Adds the path score of the iHMMune-Align hidden Markov model to HMM_SCORE.''') parser_ihmm.add_argument('--regions', action='store_true', dest='parse_regions', help='''Specify if IMGT FWRs and CDRs should be included in the output. Adds the FWR1_IMGT, FWR2_IMGT, FWR3_IMGT, FWR4_IMGT, CDR1_IMGT, CDR2_IMGT, and CDR3_IMGT columns.''') parser_ihmm.set_defaults(func=parseIHMM) return parser if __name__ == "__main__": """ Parses command line arguments and calls main """ parser = getArgParser() checkArgs(parser) args = parser.parse_args() args_dict = parseCommonArgs(args, in_arg='aligner_outputs') # Set no ID parsing if sequence files are not provided if 'seq_files' in args_dict and not args_dict['seq_files']: args_dict['no_parse'] = True # Delete if 'seq_files' in args_dict: del args_dict['seq_files'] if 'aligner_outputs' in args_dict: del args_dict['aligner_outputs'] if 'command' in args_dict: del args_dict['command'] if 'func' in args_dict: del args_dict['func'] if args.command == 'imgt': for i in range(len(args.__dict__['aligner_outputs'])): args_dict['aligner_output'] = args.__dict__['aligner_outputs'][i] args_dict['seq_file'] = args.__dict__['seq_files'][i] \ if args.__dict__['seq_files'] else None args.func(**args_dict) elif args.command == 'igblast' or args.command == 'ihmm': for i in range(len(args.__dict__['aligner_outputs'])): args_dict['aligner_output'] = args.__dict__['aligner_outputs'][i] args_dict['seq_file'] = args.__dict__['seq_files'][i] args.func(**args_dict)