Mercurial > repos > davidvanzessen > shm_csr
view change_o/MakeDb.py @ 24:9955b23db68c draft
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author | davidvanzessen |
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date | Fri, 02 Dec 2016 05:51:13 -0500 |
parents | c33d93683a09 |
children | 22dddabe3637 |
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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 csv import os import re import sys import pandas as pd import tarfile import zipfile from argparse import ArgumentParser from collections import OrderedDict from itertools import groupby from shutil import rmtree from tempfile import mkdtemp from textwrap import dedent from time import time from Bio import SeqIO from Bio.Seq import Seq from Bio.Alphabet import IUPAC # Presto and changeo imports from presto.Defaults import default_out_args from presto.Annotation import parseAnnotation from presto.IO import countSeqFile, printLog, printProgress from changeo.Commandline import CommonHelpFormatter, getCommonArgParser, parseCommonArgs from changeo.IO import getDbWriter, countDbFile, getRepo from changeo.Receptor import IgRecord, parseAllele, v_allele_regex, d_allele_regex, \ j_allele_regex # Default parameters default_delimiter = ('\t', ',', '-') def gapV(ig_dict, repo_dict): """ Insert gaps into V region and update alignment information Arguments: ig_dict : Dictionary of parsed IgBlast output repo_dict : Dictionary of IMGT gapped germline sequences Returns: dict : Updated with SEQUENCE_IMGT, V_GERM_START_IMGT, and V_GERM_LENGTH_IMGT fields """ seq_imgt = '.' * (int(ig_dict['V_GERM_START_VDJ'])-1) + ig_dict['SEQUENCE_VDJ'] # Find gapped germline V segment vgene = parseAllele(ig_dict['V_CALL'], v_allele_regex, 'first') vkey = (vgene, ) #TODO: Figure out else case if vkey in repo_dict: vgap = repo_dict[vkey] # Iterate over gaps in the germline segment gaps = re.finditer(r'\.', vgap) gapcount = int(ig_dict['V_GERM_START_VDJ'])-1 for gap in gaps: i = gap.start() # Break if gap begins after V region if i >= ig_dict['V_GERM_LENGTH_VDJ'] + gapcount: break # Insert gap into IMGT sequence seq_imgt = seq_imgt[:i] + '.' + seq_imgt[i:] # Update gap counter gapcount += 1 ig_dict['SEQUENCE_IMGT'] = seq_imgt # Update IMGT positioning information for V ig_dict['V_GERM_START_IMGT'] = 1 ig_dict['V_GERM_LENGTH_IMGT'] = ig_dict['V_GERM_LENGTH_VDJ'] + gapcount return ig_dict def getIMGTJunc(ig_dict, repo_dict): """ Identify junction region by IMGT definition Arguments: ig_dict : Dictionary of parsed IgBlast output repo_dict : Dictionary of IMGT gapped germline sequences Returns: dict : Updated with JUNCTION_LENGTH_IMGT and JUNCTION_IMGT fields """ # Find germline J segment jgene = parseAllele(ig_dict['J_CALL'], j_allele_regex, 'first') jkey = (jgene, ) #TODO: Figure out else case if jkey in repo_dict: # Get germline J sequence jgerm = repo_dict[jkey] jgerm = jgerm[:ig_dict['J_GERM_START']+ig_dict['J_GERM_LENGTH']-1] # Look for (F|W)GXG aa motif in nt sequence motif = re.search(r'T(TT|TC|GG)GG[ACGT]{4}GG[AGCT]', jgerm) aa_end = len(ig_dict['SEQUENCE_IMGT']) #TODO: Figure out else case if motif: # print('\n', motif.group()) aa_end = motif.start() - len(jgerm) + 3 # Add fields to dict ig_dict['JUNCTION'] = ig_dict['SEQUENCE_IMGT'][309:aa_end] ig_dict['JUNCTION_LENGTH'] = len(ig_dict['JUNCTION']) return ig_dict def getRegions(ig_dict): """ Identify FWR and CDR regions by IMGT definition Arguments: ig_dict : Dictionary of parsed alignment output Returns: dict : Updated with FWR1_IMGT, FWR2_IMGT, FWR3_IMGT, FWR4_IMGT, CDR1_IMGT, CDR2_IMGT, and CDR3_IMGT fields """ try: seq_len = len(ig_dict['SEQUENCE_IMGT']) ig_dict['FWR1_IMGT'] = ig_dict['SEQUENCE_IMGT'][0:min(78,seq_len)] except (KeyError, IndexError): return ig_dict try: ig_dict['CDR1_IMGT'] = ig_dict['SEQUENCE_IMGT'][78:min(114, seq_len)] except (IndexError): return ig_dict try: ig_dict['FWR2_IMGT'] = ig_dict['SEQUENCE_IMGT'][114:min(165, seq_len)] except (IndexError): return ig_dict try: ig_dict['CDR2_IMGT'] = ig_dict['SEQUENCE_IMGT'][165:min(195, seq_len)] except (IndexError): return ig_dict try: ig_dict['FWR3_IMGT'] = ig_dict['SEQUENCE_IMGT'][195:min(312, seq_len)] except (IndexError): return ig_dict try: cdr3_end = 306 + ig_dict['JUNCTION_LENGTH'] ig_dict['CDR3_IMGT'] = ig_dict['SEQUENCE_IMGT'][312:cdr3_end] ig_dict['FWR4_IMGT'] = ig_dict['SEQUENCE_IMGT'][cdr3_end:] except (KeyError, IndexError): return ig_dict return ig_dict def getSeqforIgBlast(seq_file): """ Fetch input sequences for IgBlast queries Arguments: seq_file = a fasta file of sequences input to IgBlast Returns: a dictionary of {ID:Seq} """ seq_dict = SeqIO.index(seq_file, "fasta", IUPAC.ambiguous_dna) # Create a seq_dict ID translation using IDs truncate up to space or 50 chars seqs = {} for seq in seq_dict.values(): seqs.update({seq.description:str(seq.seq)}) return seqs def findLine(handle, query): """ Finds line with query string in file Arguments: handle = file handle in which to search for line query = query string for which to search in file Returns: line from handle in which query string was found """ for line in handle: if(re.match(query, line)): return line def extractIMGT(imgt_output): """ Extract necessary files from IMGT results, zipped or unzipped Arguments: imgt_output = zipped file or unzipped folder output by IMGT Returns: sorted list of filenames from which information will be read """ #file_ext = os.path.splitext(imgt_output)[1].lower() imgt_flags = ('1_Summary', '2_IMGT-gapped', '3_Nt-sequences', '6_Junction') temp_dir = mkdtemp() if zipfile.is_zipfile(imgt_output): # Open zip file imgt_zip = zipfile.ZipFile(imgt_output, 'r') # Extract required files imgt_files = sorted([n for n in imgt_zip.namelist() \ if os.path.basename(n).startswith(imgt_flags)]) imgt_zip.extractall(temp_dir, imgt_files) # Define file list imgt_files = [os.path.join(temp_dir, f) for f in imgt_files] elif os.path.isdir(imgt_output): # Find required files in folder folder_files = [] for root, dirs, files in os.walk(imgt_output): folder_files.extend([os.path.join(os.path.abspath(root), f) for f in files]) # Define file list imgt_files = sorted([n for n in folder_files \ if os.path.basename(n).startswith(imgt_flags)]) elif tarfile.is_tarfile(imgt_output): # Open zip file imgt_tar = tarfile.open(imgt_output, 'r') # Extract required files imgt_files = sorted([n for n in imgt_tar.getnames() \ if os.path.basename(n).startswith(imgt_flags)]) imgt_tar.extractall(temp_dir, [imgt_tar.getmember(n) for n in imgt_files]) # Define file list imgt_files = [os.path.join(temp_dir, f) for f in imgt_files] else: sys.exit('ERROR: Unsupported IGMT output file. Must be either a zipped file (.zip), LZMA compressed tarfile (.txz) or a folder.') if len(imgt_files) > len(imgt_flags): # e.g. multiple 1_Summary files sys.exit('ERROR: Wrong files in IMGT output %s.' % imgt_output) elif len(imgt_files) < len(imgt_flags): sys.exit('ERROR: Missing necessary file IMGT output %s.' % imgt_output) return temp_dir, imgt_files # TODO: return a dictionary with keys determined by the comment strings in the blocks, thus avoiding problems with missing blocks def readOneIgBlastResult(block): """ Parse a single IgBLAST query result Arguments: block = itertools groupby object of single result Returns: None if no results, otherwise list of DataFrames for each result block """ results = list() i = 0 for match, subblock in groupby(block, lambda l: l=='\n'): if not match: # Strip whitespace and comments sub = [s.strip() for s in subblock if not s.startswith('#')] # Continue on empty block if not sub: continue else: i += 1 # Split by tabs sub = [s.split('\t') for s in sub] # Append list for "V-(D)-J rearrangement summary" (i == 1) # And "V-(D)-J junction details" (i == 2) # Otherwise append DataFrame of subblock if i == 1 or i == 2: results.append(sub[0]) else: df = pd.DataFrame(sub) if not df.empty: results.append(df) return results if results else None # TODO: needs more speeds. pandas is probably to blame. def readIgBlast(igblast_output, seq_dict, repo_dict, score_fields=False, region_fields=False): """ Reads IgBlast output Arguments: igblast_output = IgBlast output file (format 7) seq_dict = a dictionary of {ID:Seq} from input fasta file repo_dict = dictionary of IMGT gapped germline sequences score_fields = if True parse alignment scores region_fields = if True add FWR and CDR region fields Returns: a generator of dictionaries containing alignment data """ # Open IgBlast output file with open(igblast_output) as f: # Iterate over individual results (separated by # IGBLASTN) for k1, block in groupby(f, lambda x: re.match('# IGBLASTN', x)): block = list(block) if not k1: # TODO: move query name extraction into block parser readOneIgBlastResult(). # Extract sequence ID query_name = ' '.join(block[0].strip().split(' ')[2:]) # Initialize db_gen to have ID and input sequence db_gen = {'SEQUENCE_ID': query_name, 'SEQUENCE_INPUT': seq_dict[query_name]} # Parse further sub-blocks block_list = readOneIgBlastResult(block) # TODO: this is indented pretty far. should be a separate function. or several functions. # If results exist, parse further to obtain full db_gen if block_list is not None: # Parse quality information db_gen['STOP'] = 'T' if block_list[0][-4] == 'Yes' else 'F' db_gen['IN_FRAME'] = 'T' if block_list[0][-3] == 'In-frame' else 'F' db_gen['FUNCTIONAL'] = 'T' if block_list[0][-2] == 'Yes' else 'F' if block_list[0][-1] == '-': db_gen['SEQUENCE_INPUT'] = str(Seq(db_gen['SEQUENCE_INPUT'], IUPAC.ambiguous_dna).reverse_complement()) # Parse V, D, and J calls call_str = ' '.join(block_list[0]) v_call = parseAllele(call_str, v_allele_regex, action='list') d_call = parseAllele(call_str, d_allele_regex, action='list') j_call = parseAllele(call_str, j_allele_regex, action='list') db_gen['V_CALL'] = ','.join(v_call) if v_call is not None else 'None' db_gen['D_CALL'] = ','.join(d_call) if d_call is not None else 'None' db_gen['J_CALL'] = ','.join(j_call) if j_call is not None else 'None' # Parse junction sequence # db_gen['JUNCTION_VDJ'] = re.sub('(N/A)|\[|\(|\)|\]', '', ''.join(block_list[1])) # db_gen['JUNCTION_LENGTH_VDJ'] = len(db_gen['JUNCTION_VDJ']) # TODO: IgBLAST does a stupid and doesn't output block #3 sometimes. why? # TODO: maybe we should fail these. they look craptastic. #pd.set_option('display.width', 500) #print query_name, len(block_list), hit_idx #for i, x in enumerate(block_list): # print '[%i]' % i # print x # Parse segment start and stop positions hit_df = block_list[-1] # Alignment info block # 0: segment # 1: query id # 2: subject id # 3: % identity # 4: alignment length # 5: mismatches # 6: gap opens # 7: gaps # 8: q. start # 9: q. end # 10: s. start # 11: s. end # 12: evalue # 13: bit score # 14: query seq # 15: subject seq # 16: btop # If V call exists, parse V alignment information seq_vdj = '' if v_call is not None: v_align = hit_df[hit_df[0] == 'V'].iloc[0] # Germline positions db_gen['V_GERM_START_VDJ'] = int(v_align[10]) db_gen['V_GERM_LENGTH_VDJ'] = int(v_align[11]) - db_gen['V_GERM_START_VDJ'] + 1 # Query sequence positions db_gen['V_SEQ_START'] = int(v_align[8]) db_gen['V_SEQ_LENGTH'] = int(v_align[9]) - db_gen['V_SEQ_START'] + 1 if int(v_align[6]) == 0: db_gen['INDELS'] = 'F' else: db_gen['INDELS'] = 'T' # Set functional to none so record gets tossed (junction will be wrong) # db_gen['FUNCTIONAL'] = None # V alignment scores if score_fields: try: db_gen['V_SCORE'] = float(v_align[13]) except (TypeError, ValueError): db_gen['V_SCORE'] = 'None' try: db_gen['V_IDENTITY'] = float(v_align[3]) / 100.0 except (TypeError, ValueError): db_gen['V_IDENTITY'] = 'None' try: db_gen['V_EVALUE'] = float(v_align[12]) except (TypeError, ValueError): db_gen['V_EVALUE'] = 'None' try: db_gen['V_BTOP'] = v_align[16] except (TypeError, ValueError): db_gen['V_BTOP'] = 'None' # Update VDJ sequence, removing insertions start = 0 for m in re.finditer(r'-', v_align[15]): ins = m.start() seq_vdj += v_align[14][start:ins] start = ins + 1 seq_vdj += v_align[14][start:] # TODO: needs to check that the V results are present before trying to determine N1_LENGTH from them. # If D call exists, parse D alignment information if d_call is not None: d_align = hit_df[hit_df[0] == 'D'].iloc[0] # TODO: this is kinda gross. not sure how else to fix the alignment overlap problem though. # Determine N-region length and amount of J overlap with V or D alignment overlap = 0 if v_call is not None: n1_len = int(d_align[8]) - (db_gen['V_SEQ_START'] + db_gen['V_SEQ_LENGTH']) if n1_len < 0: db_gen['N1_LENGTH'] = 0 overlap = abs(n1_len) else: db_gen['N1_LENGTH'] = n1_len n1_start = (db_gen['V_SEQ_START'] + db_gen['V_SEQ_LENGTH']-1) n1_end = int(d_align[8])-1 seq_vdj += db_gen['SEQUENCE_INPUT'][n1_start:n1_end] # Query sequence positions db_gen['D_SEQ_START'] = int(d_align[8]) + overlap db_gen['D_SEQ_LENGTH'] = max(int(d_align[9]) - db_gen['D_SEQ_START'] + 1, 0) # Germline positions db_gen['D_GERM_START'] = int(d_align[10]) + overlap db_gen['D_GERM_LENGTH'] = max(int(d_align[11]) - db_gen['D_GERM_START'] + 1, 0) # Update VDJ sequence, removing insertions start = overlap for m in re.finditer(r'-', d_align[15]): ins = m.start() seq_vdj += d_align[14][start:ins] start = ins + 1 seq_vdj += d_align[14][start:] # TODO: needs to check that the V results are present before trying to determine N1_LENGTH from them. # If J call exists, parse J alignment information if j_call is not None: j_align = hit_df[hit_df[0] == 'J'].iloc[0] # TODO: this is kinda gross. not sure how else to fix the alignment overlap problem though. # Determine N-region length and amount of J overlap with V or D alignment overlap = 0 if d_call is not None: n2_len = int(j_align[8]) - (db_gen['D_SEQ_START'] + db_gen['D_SEQ_LENGTH']) if n2_len < 0: db_gen['N2_LENGTH'] = 0 overlap = abs(n2_len) else: db_gen['N2_LENGTH'] = n2_len n2_start = (db_gen['D_SEQ_START']+db_gen['D_SEQ_LENGTH']-1) n2_end = int(j_align[8])-1 seq_vdj += db_gen['SEQUENCE_INPUT'][n2_start:n2_end] elif v_call is not None: n1_len = int(j_align[8]) - (db_gen['V_SEQ_START'] + db_gen['V_SEQ_LENGTH']) if n1_len < 0: db_gen['N1_LENGTH'] = 0 overlap = abs(n1_len) else: db_gen['N1_LENGTH'] = n1_len n1_start = (db_gen['V_SEQ_START']+db_gen['V_SEQ_LENGTH']-1) n1_end = int(j_align[8])-1 seq_vdj += db_gen['SEQUENCE_INPUT'][n1_start:n1_end] else: db_gen['N1_LENGTH'] = 0 # Query positions db_gen['J_SEQ_START'] = int(j_align[8]) + overlap db_gen['J_SEQ_LENGTH'] = max(int(j_align[9]) - db_gen['J_SEQ_START'] + 1, 0) # Germline positions db_gen['J_GERM_START'] = int(j_align[10]) + overlap db_gen['J_GERM_LENGTH'] = max(int(j_align[11]) - db_gen['J_GERM_START'] + 1, 0) # J alignment scores if score_fields: try: db_gen['J_SCORE'] = float(j_align[13]) except (TypeError, ValueError): db_gen['J_SCORE'] = 'None' try: db_gen['J_IDENTITY'] = float(j_align[3]) / 100.0 except (TypeError, ValueError): db_gen['J_IDENTITY'] = 'None' try: db_gen['J_EVALUE'] = float(j_align[12]) except (TypeError, ValueError): db_gen['J_EVALUE'] = 'None' try: db_gen['J_BTOP'] = j_align[16] except (TypeError, ValueError): db_gen['J_BTOP'] = 'None' # Update VDJ sequence, removing insertions start = overlap for m in re.finditer(r'-', j_align[15]): ins = m.start() seq_vdj += j_align[14][start:ins] start = ins + 1 seq_vdj += j_align[14][start:] db_gen['SEQUENCE_VDJ'] = seq_vdj # Create IMGT-gapped sequence and infer IMGT junction if v_call is not None: db_gen = gapV(db_gen, repo_dict) if j_call is not None: db_gen = getIMGTJunc(db_gen, repo_dict) # FWR and CDR regions if region_fields: getRegions(db_gen) yield IgRecord(db_gen) # TODO: should be more readable def readIMGT(imgt_files, score_fields=False, region_fields=False): """ Reads IMGT/HighV-Quest output Arguments: imgt_files = IMGT/HighV-Quest output files 1, 2, 3, and 6 score_fields = if True parse alignment scores region_fields = if True add FWR and CDR region fields Returns: a generator of dictionaries containing alignment data """ imgt_iters = [csv.DictReader(open(f, 'rU'), delimiter='\t') for f in imgt_files] # Create a dictionary for each sequence alignment and yield its generator for sm, gp, nt, jn in zip(*imgt_iters): if len(set([sm['Sequence ID'], gp['Sequence ID'], nt['Sequence ID'], jn['Sequence ID']])) != 1: sys.exit('Error: IMGT files are corrupt starting with Summary file record %s' \ % sm['Sequence ID']) db_gen = {'SEQUENCE_ID': sm['Sequence ID'], 'SEQUENCE_INPUT': sm['Sequence']} if 'No results' not in sm['Functionality']: db_gen['FUNCTIONAL'] = ['?','T','F'][('productive' in sm['Functionality']) + ('unprod' in sm['Functionality'])] db_gen['IN_FRAME'] = ['?','T','F'][('in-frame' in sm['JUNCTION frame']) + ('out-of-frame' in sm['JUNCTION frame'])], db_gen['STOP'] = ['F','?','T'][('stop codon' in sm['Functionality comment']) + ('unprod' in sm['Functionality'])] db_gen['MUTATED_INVARIANT'] = ['F','?','T'][(any(('missing' in sm['Functionality comment'], 'missing' in sm['V-REGION potential ins/del']))) + ('unprod' in sm['Functionality'])] db_gen['INDELS'] = ['F','T'][any((sm['V-REGION potential ins/del'], sm['V-REGION insertions'], sm['V-REGION deletions']))] db_gen['SEQUENCE_VDJ'] = nt['V-D-J-REGION'] if nt['V-D-J-REGION'] else nt['V-J-REGION'] db_gen['SEQUENCE_IMGT'] = gp['V-D-J-REGION'] if gp['V-D-J-REGION'] else gp['V-J-REGION'] db_gen['V_CALL'] = re.sub('\sor\s', ',', re.sub(',', '', gp['V-GENE and allele'])) db_gen['D_CALL'] = re.sub('\sor\s', ',', re.sub(',', '', gp['D-GENE and allele'])) db_gen['J_CALL'] = re.sub('\sor\s', ',', re.sub(',', '', gp['J-GENE and allele'])) v_seq_length = len(nt['V-REGION']) if nt['V-REGION'] else 0 db_gen['V_SEQ_START'] = nt['V-REGION start'] db_gen['V_SEQ_LENGTH'] = v_seq_length db_gen['V_GERM_START_IMGT'] = 1 db_gen['V_GERM_LENGTH_IMGT'] = len(gp['V-REGION']) if gp['V-REGION'] else 0 db_gen['N1_LENGTH'] = sum(int(i) for i in [jn["P3'V-nt nb"], jn['N-REGION-nt nb'], jn['N1-REGION-nt nb'], jn["P5'D-nt nb"]] if i) db_gen['D_SEQ_START'] = sum(int(i) for i in [1, v_seq_length, jn["P3'V-nt nb"], jn['N-REGION-nt nb'], jn['N1-REGION-nt nb'], jn["P5'D-nt nb"]] if i) db_gen['D_SEQ_LENGTH'] = int(jn["D-REGION-nt nb"] or 0) db_gen['D_GERM_START'] = int(jn["5'D-REGION trimmed-nt nb"] or 0) + 1 db_gen['D_GERM_LENGTH'] = int(jn["D-REGION-nt nb"] or 0) db_gen['N2_LENGTH'] = sum(int(i) for i in [jn["P3'D-nt nb"], jn['N2-REGION-nt nb'], jn["P5'J-nt nb"]] if i) db_gen['J_SEQ_START_IMGT'] = sum(int(i) for i in [1, v_seq_length, jn["P3'V-nt nb"], jn['N-REGION-nt nb'], jn['N1-REGION-nt nb'], jn["P5'D-nt nb"], jn["D-REGION-nt nb"], jn["P3'D-nt nb"], jn['N2-REGION-nt nb'], jn["P5'J-nt nb"]] if i) db_gen['J_SEQ_LENGTH'] = len(nt['J-REGION']) if nt['J-REGION'] else 0 db_gen['J_GERM_START'] = int(jn["5'J-REGION trimmed-nt nb"] or 0) + 1 db_gen['J_GERM_LENGTH'] = len(gp['J-REGION']) if gp['J-REGION'] else 0 db_gen['JUNCTION_LENGTH'] = len(jn['JUNCTION']) if jn['JUNCTION'] else 0 db_gen['JUNCTION'] = jn['JUNCTION'] # Alignment scores if score_fields: try: db_gen['V_SCORE'] = float(sm['V-REGION score']) except (TypeError, ValueError): db_gen['V_SCORE'] = 'None' try: db_gen['V_IDENTITY'] = float(sm['V-REGION identity %']) / 100.0 except (TypeError, ValueError): db_gen['V_IDENTITY'] = 'None' try: db_gen['J_SCORE'] = float(sm['J-REGION score']) except (TypeError, ValueError): db_gen['J_SCORE'] = 'None' try: db_gen['J_IDENTITY'] = float(sm['J-REGION identity %']) / 100.0 except (TypeError, ValueError): db_gen['J_IDENTITY'] = 'None' # FWR and CDR regions if region_fields: getRegions(db_gen) else: db_gen['V_CALL'] = 'None' db_gen['D_CALL'] = 'None' db_gen['J_CALL'] = 'None' yield IgRecord(db_gen) def getIDforIMGT(seq_file): """ Create a sequence ID translation using IMGT truncation Arguments: seq_file = a fasta file of sequences input to IMGT Returns: a dictionary of {truncated ID: full seq description} """ # Create a seq_dict ID translation using IDs truncate up to space or 50 chars ids = {} for i, rec in enumerate(SeqIO.parse(seq_file, 'fasta', IUPAC.ambiguous_dna)): if len(rec.description) <= 50: id_key = rec.description else: id_key = re.sub('\||\s|!|&|\*|<|>|\?','_',rec.description[:50]) ids.update({id_key:rec.description}) return ids def writeDb(db_gen, file_prefix, total_count, id_dict={}, no_parse=True, score_fields=False, region_fields=False, out_args=default_out_args): """ Writes tab-delimited database file in output directory Arguments: db_gen = a generator of IgRecord objects containing alignment data file_prefix = directory and prefix for CLIP tab-delim file total_count = number of records (for progress bar) id_dict = a dictionary of {IMGT ID: full seq description} no_parse = if ID is to be parsed for pRESTO output with default delimiters score_fields = if True add alignment score fields to output file region_fields = if True add FWR and CDR region fields to output file out_args = common output argument dictionary from parseCommonArgs Returns: None """ pass_file = "%s_db-pass.tab" % file_prefix fail_file = "%s_db-fail.tab" % file_prefix ordered_fields = ['SEQUENCE_ID', 'SEQUENCE_INPUT', 'FUNCTIONAL', 'IN_FRAME', 'STOP', 'MUTATED_INVARIANT', 'INDELS', 'V_CALL', 'D_CALL', 'J_CALL', 'SEQUENCE_VDJ', 'SEQUENCE_IMGT', 'V_SEQ_START', 'V_SEQ_LENGTH', 'V_GERM_START_VDJ', 'V_GERM_LENGTH_VDJ', 'V_GERM_START_IMGT', 'V_GERM_LENGTH_IMGT', 'N1_LENGTH', 'D_SEQ_START', 'D_SEQ_LENGTH', 'D_GERM_START', 'D_GERM_LENGTH', 'N2_LENGTH', 'J_SEQ_START', 'J_SEQ_LENGTH', 'J_GERM_START', 'J_GERM_LENGTH', 'JUNCTION_LENGTH', 'JUNCTION'] if score_fields: ordered_fields.extend(['V_SCORE', 'V_IDENTITY', 'V_EVALUE', 'V_BTOP', 'J_SCORE', 'J_IDENTITY', 'J_EVALUE', 'J_BTOP']) if region_fields: ordered_fields.extend(['FWR1_IMGT', 'FWR2_IMGT', 'FWR3_IMGT', 'FWR4_IMGT', 'CDR1_IMGT', 'CDR2_IMGT', 'CDR3_IMGT']) # TODO: This is not the best approach. should pass in output fields. # Initiate passed handle pass_handle = None # Open failed file if out_args['failed']: fail_handle = open(fail_file, 'wt') fail_writer = getDbWriter(fail_handle, add_fields=['SEQUENCE_ID', 'SEQUENCE_INPUT']) else: fail_handle = None fail_writer = None # Initialize counters and file pass_writer = None start_time = time() rec_count = pass_count = fail_count = 0 for record in db_gen: #printProgress(i + (total_count/2 if id_dict else 0), total_count, 0.05, start_time) printProgress(rec_count, total_count, 0.05, start_time) rec_count += 1 # Count pass or fail if (record.v_call == 'None' and record.j_call == 'None') or \ record.functional is None or \ not record.seq_vdj or \ not record.junction: # print(record.v_call, record.j_call, record.functional, record.junction) fail_count += 1 if fail_writer is not None: fail_writer.writerow(record.toDict()) continue else: pass_count += 1 # Build sample sequence description if record.id in id_dict: record.id = id_dict[record.id] # Parse sequence description into new columns if not no_parse: 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 sequence, use parsed description to create new columns and initialize writer if pass_writer is None: if not no_parse: ordered_fields.extend(list(record.annotations.keys())) pass_handle = open(pass_file, 'wt') pass_writer = getDbWriter(pass_handle, add_fields=ordered_fields) # Write row to tab-delim CLIP file pass_writer.writerow(record.toDict()) # Print log #printProgress(i+1 + (total_count/2 if id_dict else 0), total_count, 0.05, start_time) printProgress(rec_count, total_count, 0.05, start_time) 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 parseIMGT def parseIgBlast(igblast_output, seq_file, repo, no_parse=True, score_fields=False, region_fields=False, out_args=default_out_args): """ Main for IgBlast aligned sample sequences Arguments: igblast_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 score_fields = if True add alignment score fields to output file region_fields = 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'] = 'IgBlast' log['ALIGN_RESULTS'] = os.path.basename(igblast_output) log['SEQ_FILE'] = os.path.basename(seq_file) log['NO_PARSE'] = no_parse log['SCORE_FIELDS'] = score_fields log['REGION_FIELDS'] = region_fields printLog(log) # Get input sequence dictionary seq_dict = getSeqforIgBlast(seq_file) # Formalize out_dir and file-prefix if not out_args['out_dir']: out_dir = os.path.split(igblast_output)[0] else: out_dir = os.path.abspath(out_args['out_dir']) if not os.path.exists(out_dir): os.mkdir(out_dir) if out_args['out_name']: file_prefix = out_args['out_name'] else: file_prefix = os.path.basename(os.path.splitext(igblast_output)[0]) file_prefix = os.path.join(out_dir, file_prefix) total_count = countSeqFile(seq_file) # Create repo_dict = getRepo(repo) igblast_dict = readIgBlast(igblast_output, seq_dict, repo_dict, score_fields=score_fields, region_fields=region_fields) writeDb(igblast_dict, file_prefix, total_count, no_parse=no_parse, score_fields=score_fields, region_fields=region_fields, out_args=out_args) # TODO: may be able to merge with parseIgBlast def parseIMGT(imgt_output, seq_file=None, no_parse=True, score_fields=False, region_fields=False, out_args=default_out_args): """ Main for IMGT aligned sample sequences Arguments: imgt_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 score_fields = if True add alignment score fields to output file region_fields = 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['ALIGN_RESULTS'] = imgt_output log['SEQ_FILE'] = os.path.basename(seq_file) if seq_file else '' log['NO_PARSE'] = no_parse log['SCORE_FIELDS'] = score_fields log['REGION_FIELDS'] = region_fields printLog(log) # Get individual IMGT result files temp_dir, imgt_files = extractIMGT(imgt_output) # Formalize out_dir and file-prefix if not out_args['out_dir']: out_dir = os.path.dirname(os.path.abspath(imgt_output)) else: out_dir = os.path.abspath(out_args['out_dir']) if not os.path.exists(out_dir): os.mkdir(out_dir) if out_args['out_name']: file_prefix = out_args['out_name'] else: file_prefix = os.path.splitext(os.path.split(os.path.abspath(imgt_output))[1])[0] file_prefix = os.path.join(out_dir, file_prefix) total_count = countDbFile(imgt_files[0]) # Get (parsed) IDs from fasta file submitted to IMGT id_dict = getIDforIMGT(seq_file) if seq_file else {} # Create imgt_dict = readIMGT(imgt_files, score_fields=score_fields, region_fields=region_fields) writeDb(imgt_dict, file_prefix, total_count, id_dict=id_dict, no_parse=no_parse, score_fields=score_fields, region_fields=region_fields, out_args=out_args) # Delete temp directory rmtree(temp_dir) def getArgParser(): """ Defines the ArgumentParser Arguments: None Returns: an ArgumentParser object """ fields = dedent( ''' output files: db-pass database of parsed alignment records. db-fail database with records failing alignment. output fields: SEQUENCE_ID, SEQUENCE_INPUT, FUNCTIONAL, IN_FRAME, STOP, MUTATED_INVARIANT, INDELS, V_CALL, D_CALL, J_CALL, SEQUENCE_VDJ and/or SEQUENCE_IMGT, V_SEQ_START, V_SEQ_LENGTH, V_GERM_START_VDJ and/or V_GERM_START_IMGT, V_GERM_LENGTH_VDJ and/or V_GERM_LENGTH_IMGT, N1_LENGTH, D_SEQ_START, D_SEQ_LENGTH, D_GERM_START, D_GERM_LENGTH, N2_LENGTH, J_SEQ_START, J_SEQ_LENGTH, J_GERM_START, J_GERM_LENGTH, JUNCTION_LENGTH, JUNCTION, V_SCORE, V_IDENTITY, V_EVALUE, V_BTOP, J_SCORE, J_IDENTITY, J_EVALUE, J_BTOP, FWR1_IMGT, FWR2_IMGT, FWR3_IMGT, FWR4_IMGT, CDR1_IMGT, CDR2_IMGT, CDR3_IMGT ''') # 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', help='Process IgBlast output', parents=[parser_parent], formatter_class=CommonHelpFormatter) parser_igblast.set_defaults(func=parseIgBlast) parser_igblast.add_argument('-i', nargs='+', action='store', dest='aligner_files', 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 containing sequences') parser_igblast.add_argument('--noparse', action='store_true', dest='no_parse', help='''Specify if input IDs should not be parsed to add new columns to database.''') parser_igblast.add_argument('--scores', action='store_true', dest='score_fields', 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='region_fields', help='''Specify if IMGT framework and CDR regions should be included in the output. Adds the FWR1_IMGT, FWR2_IMGT, FWR3_IMGT, FWR4_IMGT, CDR1_IMGT, CDR2_IMGT, and CDR3_IMGT columns.''') # IMGT aligner parser_imgt = subparsers.add_parser('imgt', help='Process IMGT/HighV-Quest output', parents=[parser_parent], formatter_class=CommonHelpFormatter) imgt_arg_group = parser_imgt.add_mutually_exclusive_group(required=True) imgt_arg_group.add_argument('-i', nargs='+', action='store', dest='aligner_files', help='''Either zipped IMGT output files (.zip) 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 containing sequences') parser_imgt.add_argument('--noparse', action='store_true', dest='no_parse', help='''Specify if input IDs should not be parsed to add new columns to database.''') parser_imgt.add_argument('--scores', action='store_true', dest='score_fields', help='''Specify if alignment score metrics should be included in the output. Adds the V_SCORE, V_IDENTITY, J_SCORE and J_IDENTITY. Note, this will also add the columns V_EVALUE, V_BTOP, J_EVALUE and J_BTOP, but they will be empty for IMGT output.''') parser_imgt.add_argument('--regions', action='store_true', dest='region_fields', help='''Specify if IMGT framework and CDR regions 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.set_defaults(func=parseIMGT) return parser if __name__ == "__main__": """ Parses command line arguments and calls main """ parser = getArgParser() args = parser.parse_args() args_dict = parseCommonArgs(args, in_arg='aligner_files') # 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_files' in args_dict: del args_dict['aligner_files'] 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_files'])): args_dict['imgt_output'] = args.__dict__['aligner_files'][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': for i in range(len(args.__dict__['aligner_files'])): args_dict['igblast_output'] = args.__dict__['aligner_files'][i] args_dict['seq_file'] = args.__dict__['seq_files'][i] args.func(**args_dict)