Mercurial > repos > davidvanzessen > shm_csr
view gene_identification.py @ 97:fbc6307dd83b draft
planemo upload commit 91fd26f19cb20fc2ee4d87d7edbc9ce6099752b0
author | rhpvorderman |
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date | Mon, 08 Jan 2024 08:50:07 +0000 |
parents | cf8ad181628f |
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#!/usr/bin/env python3 import argparse import re from typing import Dict, Iterator, List, Tuple def generate_sequence_and_id_from_summary(summary_file: str ) -> Iterator[Tuple[str, str]]: with open(summary_file, "rt") as summary: header = next(summary) column_names = header.strip("\n").split("\t") id_column = column_names.index("Sequence ID") sequence_column = column_names.index("Sequence") for line in summary: values = line.strip("\n").split("\t") id = values[id_column] try: sequence = values[sequence_column] except IndexError: # weird rows without a sequence sequence = "" yield id, sequence # old cm sequence: gggagtgcatccgccccaacccttttccccctcgtctcctgtgagaattccc # old cg sequence: ctccaccaagggcccatcggtcttccccctggcaccctcctccaagagcacctctg # ggggcacagcggccctgggctgcctggtcaaggactacttccccgaaccggtgacggtgtcgtggaactcagg # cgccctgaccag SEARCHSTRINGS = {"ca": "catccccgaccagccccaaggtcttcccgctgagcctctgcagcacccagccag" "atgggaacgtggtcatcgcctgcctgg", "cg": "ctccaccaagggcccatcggtcttccccctggcaccctcctccaagagcacctc" "tgggggcacagcggcc", "ce": "gcctccacacagagcccatccgtcttccccttgacccgctgctgcaaaaacatt" "ccctcc", "cm": "gggagtgcatccgccccaacc"} #new (shorter) cm sequence #lambda/kappa referesearchstringsnce sequence variable nucleotides CA1_MUTATIONS = {38: 't', 39: 'g', 48: 'a', 49: 'g', 51: 'c', 68: 'a', 73: 'c'} CA2_MUTATIONS = {38: 'g', 39: 'a', 48: 'c', 49: 'c', 51: 'a', 68: 'g', 73: 'a'} CG1_MUTATIONS = {0: 'c', 33: 'a', 38: 'c', 44: 'a', 54: 't', 56: 'g', 58: 'g', 66: 'g', 132: 'c'} CG2_MUTATIONS = {0: 'c', 33: 'g', 38: 'g', 44: 'g', 54: 'c', 56: 'a', 58: 'a', 66: 'g', 132: 't'} CG3_MUTATIONS = {0: 't', 33: 'g', 38: 'g', 44: 'g', 54: 't', 56: 'g', 58: 'g', 66: 'g', 132: 'c'} CG4_MUTATIONS = {0: 't', 33: 'g', 38: 'g', 44: 'g', 54: 'c', 56: 'a', 58: 'a', 66: 'c', 132: 'c'} #remove last snp for shorter cg sequence --- note, also change varsInCG del CG1_MUTATIONS[132] del CG2_MUTATIONS[132] del CG3_MUTATIONS[132] del CG4_MUTATIONS[132] # reference sequences are cut into smaller parts of 'chunklength' length, # and with 'chunklength' / 2 overlap CHUNK_LENGTH = 8 def create_compiled_regexes() -> Dict[str, List[Tuple[re.Pattern, int]]]: compiledregex: Dict[str, List[Tuple[re.Pattern, int]]] = { "ca": [], "cg": [], "ce": [], "cm": [] } for i in range(0, len(SEARCHSTRINGS["ca"]) - CHUNK_LENGTH, CHUNK_LENGTH // 2): pos = i chunk = SEARCHSTRINGS["ca"][i:i + CHUNK_LENGTH] result = "" varsInResult = 0 for c in chunk: if pos in list(CA1_MUTATIONS.keys()): varsInResult += 1 result += "[" + CA1_MUTATIONS[pos] + CA2_MUTATIONS[pos] + "]" else: result += c pos += 1 compiledregex["ca"].append((re.compile(result), varsInResult)) for i in range(0, len(SEARCHSTRINGS["cg"]) - CHUNK_LENGTH, CHUNK_LENGTH // 2): pos = i chunk = SEARCHSTRINGS["cg"][i:i + CHUNK_LENGTH] result = "" varsInResult = 0 for c in chunk: if pos in list(CG1_MUTATIONS.keys()): varsInResult += 1 result += "[" + "".join(set([CG1_MUTATIONS[pos], CG2_MUTATIONS[pos], CG3_MUTATIONS[pos], CG4_MUTATIONS[pos]])) + "]" else: result += c pos += 1 compiledregex["cg"].append((re.compile(result), varsInResult)) for i in range(0, len(SEARCHSTRINGS["cm"]) - CHUNK_LENGTH, CHUNK_LENGTH // 2): compiledregex["cm"].append((re.compile(SEARCHSTRINGS["cm"][i:i + CHUNK_LENGTH]), 0)) for i in range(0, len(SEARCHSTRINGS["ce"]) - CHUNK_LENGTH + 1, CHUNK_LENGTH // 2): compiledregex["ce"].append((re.compile(SEARCHSTRINGS["ce"][i:i + CHUNK_LENGTH]), 0)) return compiledregex def removeAndReturnMaxIndex(x): #simplifies a list comprehension m = max(x) index = x.index(m) x[index] = 0 return index def match_sequence(seq, compiledregex): currentIDHits = {"ca_hits": 0, "cg_hits": 0, "cm_hits": 0, "ce_hits": 0, "ca1": 0, "ca2": 0, "cg1": 0, "cg2": 0, "cg3": 0, "cg4": 0} alltotal = 0 start_location = dict() for key in compiledregex: # for ca/cg/cm/ce regularexpressions = compiledregex[key] lastindex = 0 start_zero = len(SEARCHSTRINGS[key]) #allows the reference sequence to start before search sequence (start_locations of < 0) start = [0] * (len(seq) + start_zero) for i, regexp in enumerate(regularexpressions): #for every regular expression relativeStartLocation = lastindex - (CHUNK_LENGTH // 2) * i if relativeStartLocation >= len(seq): break regex, hasVar = regexp matches = regex.finditer(seq[lastindex:]) for match in matches: #for every match with the current regex, only uses the first hit because of the break at the end of this loop lastindex += match.start() start[relativeStartLocation + start_zero] += 1 if hasVar: #if the regex has a variable nt in it chunkstart = CHUNK_LENGTH // 2 * i #where in the reference does this chunk start chunkend = CHUNK_LENGTH // 2 * i + CHUNK_LENGTH #where in the reference does this chunk end if key == "ca": #just calculate the variable nt score for 'ca', cheaper currentIDHits["ca1"] += len([1 for x in CA1_MUTATIONS if chunkstart <= x < chunkend and CA1_MUTATIONS[x] == seq[lastindex + x - chunkstart]]) currentIDHits["ca2"] += len([1 for x in CA2_MUTATIONS if chunkstart <= x < chunkend and CA2_MUTATIONS[x] == seq[lastindex + x - chunkstart]]) elif key == "cg": #just calculate the variable nt score for 'cg', cheaper currentIDHits["cg1"] += len([1 for x in CG1_MUTATIONS if chunkstart <= x < chunkend and CG1_MUTATIONS[x] == seq[lastindex + x - chunkstart]]) currentIDHits["cg2"] += len([1 for x in CG2_MUTATIONS if chunkstart <= x < chunkend and CG2_MUTATIONS[x] == seq[lastindex + x - chunkstart]]) currentIDHits["cg3"] += len([1 for x in CG3_MUTATIONS if chunkstart <= x < chunkend and CG3_MUTATIONS[x] == seq[lastindex + x - chunkstart]]) currentIDHits["cg4"] += len([1 for x in CG4_MUTATIONS if chunkstart <= x < chunkend and CG4_MUTATIONS[x] == seq[lastindex + x - chunkstart]]) else: #key == "cm" #no variable regions in 'cm' or 'ce' pass break #this only breaks when there was a match with the regex, breaking means the 'else:' clause is skipped else: #only runs if there were no hits continue #print "found ", regex.pattern , "at", lastindex, "adding one to", (lastindex - chunklength / 2 * i), "to the start array of", ID, "gene", key, "it's now:", start[lastindex - chunklength / 2 * i] currentIDHits[key + "_hits"] += 1 start_location[key] = str([(removeAndReturnMaxIndex(start) + 1 - start_zero) for x in range(5) if len(start) > 0 and max(start) > 1]) cahits = currentIDHits["ca_hits"] cghits = currentIDHits["cg_hits"] cmhits = currentIDHits["cm_hits"] cehits = currentIDHits["ce_hits"] if cahits >= cghits and cahits >= cmhits and cahits >= cehits: # its a ca gene ca1hits = currentIDHits["ca1"] ca2hits = currentIDHits["ca2"] if ca1hits >= ca2hits: # TODO: All variants with 0 matched are matched to IGA1 with 0 hits # TODO: these are later turned into unmatched by the merge_and_filter.R # TODO: script return "IGA1", ca1hits, cahits, start_location["ca"] else: return "IGA2", ca2hits, cahits, start_location["ca"] elif cghits >= cahits and cghits >= cmhits and cghits >= cehits: # its a cg gene cg1hits = currentIDHits["cg1"] cg2hits = currentIDHits["cg2"] cg3hits = currentIDHits["cg3"] cg4hits = currentIDHits["cg4"] if cg1hits >= cg2hits and cg1hits >= cg3hits and cg1hits >= cg4hits: # cg1 gene return "IGG1", cg1hits, cghits, start_location["cg"] elif cg2hits >= cg1hits and cg2hits >= cg3hits and cg2hits >= cg4hits: # cg2 gene return "IGG2", cg2hits, cghits, start_location["cg"] elif cg3hits >= cg1hits and cg3hits >= cg2hits and cg3hits >= cg4hits: # cg3 gene return "IGG3", cg3hits, cghits, start_location["cg"] else: # cg4 gene return "IGG4", cg4hits, cghits, start_location["cg"] else: # its a cm or ce gene if cmhits >= cehits: return "IGM", 0, cmhits, start_location["cm"] else: return "IGE", 0, cehits, start_location["ce"] def main(): parser = argparse.ArgumentParser() parser.add_argument("--input", help="The 1_Summary file from an IMGT zip file") parser.add_argument("--output", help="The annotated output file to be merged back " "with the summary file") args = parser.parse_args() varsInCA = float(len(list(CA1_MUTATIONS.keys())) * 2) varsInCG = float(len(list( CG1_MUTATIONS.keys())) * 2) - 2 # -2 because the sliding window doesn't hit the first and last nt twice subclass_vars = { "IGA1": varsInCA, "IGA2": varsInCA, "IGG1": varsInCG, "IGG2": varsInCG, "IGG3": varsInCG, "IGG4": varsInCG, "IGE": 0, "IGM": 0, } compiledregex = create_compiled_regexes() possibleca = float(len(compiledregex["ca"])) possiblecg = float(len(compiledregex["cg"])) possiblecm = float(len(compiledregex["cm"])) possiblece = float(len(compiledregex["ce"])) class_chunks = { "IGA1": possibleca, "IGA2": possibleca, "IGE": possiblece, "IGG1": possiblecg, "IGG2": possiblecg, "IGG3": possiblecg, "IGG4": possiblecg, "IGM": possiblecm } with open(args.output, "wt") as output: output.write("Sequence ID\tbest_match\tnt_hit_percentage\t" "chunk_hit_percentage\tstart_locations\n") for id, sequence in generate_sequence_and_id_from_summary(args.input): best_match, subclass_hits, class_hits, start_locations = \ match_sequence(sequence, compiledregex) variable_nucs = subclass_vars[best_match] if variable_nucs: subclass_percentage = round(subclass_hits * 100 / variable_nucs) else: subclass_percentage = 100 class_percentage = round(class_hits * 100 / class_chunks[best_match]) output.write(f"{id}\t{best_match}\t{subclass_percentage}\t" f"{class_percentage}\t{start_locations}\n") if __name__ == "__main__": main()