mapping2MCO_v4.py
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# -*- coding: utf-8 -*-
"""
#Setup
"""
#################### Setup ####################
from optparse import OptionParser
import os
from numpy.core.fromnumeric import sort
from pandas import read_csv, DataFrame, merge, concat, read_table
from numpy import exp, nan
import seaborn as sns
from numpy import mean
import matplotlib.pyplot as plt
import matplotlib
matplotlib.style.use('ggplot')
# %matplotlib inline
from collections import Counter, defaultdict
import json
from fuzzywuzzy import fuzz
from fuzzywuzzy import process
#import format_fun
import format_fun_v4 as format_fun
import mapping_fun
import sys
"""
# input parameters
--inputPath /home/egaytan/automatic-extraction-growth-conditions/mapping_MCO/input/
--iAnnotatedFile srr_IV_model_Run3_v10_S1_False_S2_True_S3_False_S4_False_Run3_v10_named.tsv
--iOntoFile gc_ontology_terms_v2.txt
--iLinksFile gc_ontology_terms_link_v2.txt
--iSynFile mco_terms_v0.2.json
--outputPath /home/egaytan/automatic-extraction-growth-conditions/mapping_MCO/output/
--outputFile all_srr_IV_mapped.tsv
--minPerMatch 90
#Example
# nohup python3 mapping2MCO_v3.py --inputPath /home/egaytan/automatic-extraction-growth-conditions/mapping_MCO/input/ --iAnnotatedFile srr_htregulondb_model_Run3_v10_S1_False_S2_True_S3_False_S4_False_Run3_v10.tsv --iOntoFile gc_ontology_terms_v2.txt --iSynFile mco_terms_v0.2.json --outputPath /home/egaytan/automatic-extraction-growth-conditions/mapping_MCO/output/ --outputFile srr_htregulondb_mapped.tsv --minPerMatch 80 --minCRFProbs 0.9 > ../reports/srr_htregulondb_mapping_report.out &
"""
#################### Defining parameters ####################
if __name__ == "__main__":
parser = OptionParser()
parser.add_option(
"--inputPath",
dest="input_path",
help="Path of npl tagged file (crf output)",
metavar="PATH")
parser.add_option(
"--iAnnotatedFile",
dest="npl_fname",
help="Input file of npl tagged file (crf output)",
metavar="FILE",
default="")
parser.add_option(
"--iOntoFile",
dest="onto_fname",
help="Input file with the ontology entities",
metavar="FILE",
default="")
parser.add_option(
"--iLinksFile",
dest="links_fname",
help="Input file with links and id for the ontology",
metavar="FILE",
default=None)
parser.add_option(
"--iSynFile",
dest="syn_fname",
help="Input file for the additional ontology of synonyms",
metavar="FILE",
default=None)
parser.add_option(
"--outputPath",
dest="output_path",
help="Output path to place output files",
metavar="PATH")
parser.add_option(
"--outputFile",
dest="out_fname",
help="Output file name for the mapping process",
metavar="FILE",
default="")
parser.add_option(
"--minPerMatch",
dest="min_score",
help="Minimal string matching percentage")
parser.add_option(
"--minCRFProbs",
dest="min_probs",
help="Minimal crf probabilities")
(options, args) = parser.parse_args()
if len(args) > 0:
parser.error("Any parameter given.")
sys.exit(1)
#################### DISP PARAMETERS ####################
print('\n\n-------------------------------- PARAMETERS --------------------------------\n')
print("--inputPath Path of npl tagged file: " + str(options.input_path))
print("--iAnnotatedFile Input file of npl tagged file: " + str(options.npl_fname))
print("--iOntoFile Input file with the ontology entities (MCO-terms): " + str(options.onto_fname))
print("--iLinksFile Input file with links and id for the ontology (MCO-type-links): " + str(options.links_fname))
print("--iSynFile Input file for the additional ontology of synonyms (MCO-syn-json): " + str(options.syn_fname))
print("--outputPath Output path to place output files: " + str(options.output_path))
print("--outputFile Output of the mapping process: " + str(options.out_fname))
print("--minPerMatch Minimal string matching percentage: " + str(options.min_score))
print("--minCRFProbs Minimal crf probabilities allowed: " + str(options.min_probs))
print("\n\n")
repognrl = "http://pakal.ccg.unam.mx/cmendezc"
reponame = "automatic-extraction-growth-conditions/tree/master/extraction-geo/download/srr_htregulondb"
repo_url = '/'.join([repognrl,reponame])
# Input files
min_score = int(options.min_score)
min_probs = float(options.min_probs)
npl_ifile = os.path.join(options.input_path, options.npl_fname)
mco_ifile = os.path.join(options.input_path, options.onto_fname)
mco_syn_ifile = os.path.join(options.input_path, options.syn_fname)
#Output files
raw_ofname = "_".join(["raw", options.out_fname])
rawmap_ofile = os.path.join(options.output_path, raw_ofname)
str_ofname = "_".join(["sim", options.out_fname])
strmap_ofile = os.path.join(options.output_path, str_ofname)
full_ofile = os.path.join(options.output_path, "full_"+options.out_fname)
full_unmap_ofile = os.path.join(options.output_path, "full_unmap_"+options.out_fname)
json_ofile = os.path.join(options.output_path, options.out_fname)
json_ofile_map = json_ofile.replace(".tsv", "_map.json")
json_ofile_unmap= json_ofile.replace(".tsv", "_unmap.json")
#################### Load input data ####################
# Load CRF-annotation
exp_cols = {"SRR", "GSE", "GSM", "GPL", "PMID", "FULL_TEXT", "BANGLINE", "TERM_NAME", "TERM_TYPE", "PROB"}
npl_full = read_table(npl_ifile, sep = "\t")
obs_cols = set(npl_full.columns)
if exp_cols.intersection(obs_cols) != exp_cols:
ocol = ", ".join(list(exp_cols))
sys.exit(ocol + " expected columns for iAnnotatedFile" )
npl_df = npl_full[npl_full.PROB >= min_probs]
npl_df = npl_df.drop_duplicates(keep="first")
npl_df = npl_df.dropna()
#Cleaning input
npl_df['TERM_TYPE'] = [mapping_fun.transterm_npl2mco(term) for term in npl_df.TERM_TYPE]
#filter non-mco terms types
npl_df = npl_df[npl_df.TERM_TYPE != "exTag Type"]
#add repofile_ source. access to stored files at gitLab
source_access = ['/'.join([repo_url,gse,gse+'.soft.gz']) for gse in npl_df['GSE']]
npl_df['REPO_FILE'] = source_access
##remove additional spaces
npl_df['TERM_NAME'] = [txt.strip() for txt in npl_df['TERM_NAME']]
npl_df['PMID'] = [pmid.replace("PMID_", "") for pmid in npl_df['PMID']]
#Load MCO term names
exp_cols = {"TERM_ID", "TERM_NAME"}
mco_df_full = read_table(mco_ifile, sep = "\t")
obs_cols = set(mco_df_full.columns)
if exp_cols.intersection(obs_cols) != exp_cols:
sys.exit("\"TERM_ID\" and \"TERM_NAME\" expected columns for iOntoFile" )
mco_df = mco_df_full[["TERM_ID","TERM_NAME"]]
mco_df = mco_df.drop_duplicates(keep="first")
mco_df = mco_df.dropna()
#Load MCO links
if options.links_fname is not None:
print("\nLoad types...")
mcolink_ifile = os.path.join(options.input_path, options.links_fname)
exp_cols = {"TERM_ID", "TERM_TYPE"}
mco_links_full = read_table(mcolink_ifile, sep = "\t")
obs_cols = set(mco_links_full.columns)
if exp_cols.intersection(obs_cols) != exp_cols:
sys.exit("at least \"TERM_ID\" and \"TERM_TYPE\" expected columns for iLinksFile" )
mco_links = mco_links_full[["TERM_ID", "TERM_TYPE"]]
mco_links = mco_links.drop_duplicates(keep="first")
mco_links = mco_links.dropna()
else:
mco_links = None
#Load MCO terms synonyms
#format json from mco to dataframe
mco_json = open(mco_syn_ifile )
data = json.load(mco_json)
mco_syn = format_fun.json2DataFrame(data)
print('\n\n-------------------------------- INPUTS --------------------------------\n')
print("\nnpl tagged file\n")
print(npl_df.head(3))
print("\nontology entities\n")
print(mco_df.head(3))
if options.links_fname is not None:
print("\nlinks and id for the ontology (MCO-type-links)\n")
print(mco_links.head(3))
print("\nadditional ontology of synonyms (MCO-syn-json)\n")
print(mco_syn.head(3))
print('\n\n-------------------------------- RESULTS --------------------------------\n')
#################### mappping to MCO exact string ####################
#npl_df = npl_df.drop_duplicates("TERM_NAME", keep="first")
#npl_df = npl_df.head(10)
print(f"\nMapping {len(npl_df.index)} terms to MCO based on exact strings...\n")
#first mapping
raw_matches = mapping_fun.raw_map_mco(
npl_df = npl_df,
mco_df = mco_df,
mco_links = mco_links,
unmap = True)
#save file name source of the raw mapping
raw_matches["SOURCE"] = mco_ifile
#additional column to merge
raw_matches["ENTITY_NAME"] = ""
#################### mappping to MCO.syn exact string ####################
#define unmapped
raw_mco_unmap = raw_matches[raw_matches.isna().TERM_ID]
#input for te second step
raw_mco_unmap = raw_mco_unmap[list(npl_df.columns)]
print(f"\nMapping {len(raw_mco_unmap.index)} terms to MCO - synonyms based on exact strings...\n")
#second mapping
raw_matches_syn = mapping_fun.raw_map_mco(
npl_df = raw_mco_unmap,
mco_df = mco_syn,
unmap = True)
#additional column to merge
raw_matches_syn["SOURCE"] = mco_syn_ifile
#raw_matches_syn["TERM_TYPE"] = ""
#################### save mapped terms based on exact strings ####################
#all mapped
raw_map_odf = concat([raw_matches, raw_matches_syn], sort=True).dropna()
print(raw_map_odf.head(3))
print(f"Total of terms mapped by exact strings: {len(raw_map_odf.index)}")
print("Saving filtered terms from raw mapping...\n\n")
raw_map_odf.to_csv(rawmap_ofile, sep = "\t", header =True, index=False)
#################### unmmaped raw terms ####################
raw_mco_syn_unmap = raw_matches_syn[raw_matches_syn.isna().TERM_ID]
raw_mco_syn_unmap = raw_mco_syn_unmap[list(npl_df.columns)]
print(f"\n{len(raw_mco_syn_unmap.index)} unmapped terms based on exact strings")
print("Dropping duplicated unmapped term names...\n")
raw_mco_syn_unmap = raw_mco_syn_unmap.drop_duplicates("TERM_NAME")
print(f"{len(raw_mco_syn_unmap.index)} unmapped unique terms based on exact strings\n")
#################### string similarity mapping ####################
###Matching unmaped term names
print(f"\nMapping to MCO {len(raw_mco_syn_unmap.index)} terms based on string similarity...\n")
str_matches = mapping_fun.str_match_map_mco(raw_mco_syn_unmap, mco_df, mco_links = mco_links, min_match=0, npl_merges=False)
str_matches_odf = str_matches[str_matches.SET >= min_score]
str_matches_odf["SOURCE"] = mco_ifile
#################### unmmaped sim terms (MCO) ####################
str_mco_unmap = str_matches[str_matches.SET < min_score]
#str_mco_unmap = str_mco_unmap[list(npl_df.columns)]
str_mco_unmap = str_mco_unmap.drop_duplicates("TERM_NAME")
print(f"\nMapping to MCO - synonyms {len(str_mco_unmap.index)} terms based on string siilarity..\n")
str_matches_syn = mapping_fun.str_match_map_mco(str_mco_unmap, mco_syn, min_match=min_score, npl_merges=False)
str_matches_syn_odf = str_matches_syn[str_matches_syn.SET >= min_score]
str_matches_syn_odf["SOURCE"] = mco_syn_ifile
#################### save str-sim map terms ####################
all_str_matches_odf = concat([str_matches_odf, str_matches_syn_odf], sort = True).dropna()
print(f"Unique terms mapped by string similarity: {len(all_str_matches_odf.index)}")
all_str_matches_npl_odf = merge(npl_df, all_str_matches_odf, on = ["TERM_NAME"], how="inner")
print(f"Total of terms mapped by string similarity: {len(all_str_matches_npl_odf.index)}")
print("Saving filtered terms from str mapping...")
all_str_matches_npl_odf.to_csv(strmap_ofile, sep = "\t", header =True, index=False)
#################### Formatting json ####################
raw_map_odf["CASE_MATCH"] = "MCO"
raw_map_odf["SET"] = 100
raw_map_odf["SORT"] = 100
full_map = concat([all_str_matches_npl_odf, raw_map_odf], sort = True)
full_map.to_csv(full_ofile, sep = "\t", header =True, index=False)
print(f"Total of terms mapped: {len(full_map.index)}")
df_json = defaultdict(list)
for idx,row in full_map.iterrows():
record = format_fun.created_record(row)
record_json = record
df_json[row.SRR].append(record_json)
if(idx <2):
print(record_json)
with open(json_ofile_map, "a") as output:
output.write("{")
sep=""
for k,v in df_json.items():
if v!={}:
output.write(sep)
output.write("\""+k+"\"")
output.write(":")
record_list = {
"growth_conditions": v
}
json.dump(record_list, output)
sep=","
output.write("}")
df=open(json_ofile_map)
df=json.load(df)
full_unmap = merge(npl_df, full_map[["TERM_NAME", "TERM_ID"]], on = ["TERM_NAME"], how='left')
full_unmap = full_unmap[full_unmap.isna().TERM_ID]
print(full_unmap.head(3))
print(f"Total of terms unmapped: {len(full_unmap.index)}")
full_unmap["SOURCE"] = ""
full_unmap["CASE_MATCH"] = ""
full_unmap["SET"] = 0
full_unmap["SORT"] = 0
full_unmap.to_csv(full_unmap_ofile, sep = "\t", header =True, index=False)
df_json = defaultdict(list)
for idx,row in full_unmap.iterrows():
record = format_fun.created_record(row, no_map=True)
#record_json = json.dumps(record)
record_json = record
df_json[row.SRR].append(record_json)
if(idx <2):
print(record_json)
with open(json_ofile_unmap, "a") as output:
output.write("{")
sep=""
for k,v in df_json.items():
output.write(sep)
output.write("\""+k+"\"")
output.write(":")
record_list = {
"growth_conditions": df_json[k]
}
json.dump(record_list, output)
sep=","
output.write("}")
df=open(json_ofile_unmap)
df=json.load(df)