#!/usr/bin/env python3 # -*- coding: utf-8 -*- """ Created on Fri Feb 12 12:15:26 2021 @author: tanu """ #%% load packages import sys, os homedir = os.path.expanduser('~') #sys.path.append(homedir + '/git/LSHTM_analysis/mcsm_ppi2') from format_results_mcsm_ppi2 import * ######################################################################## #%% command line args arg_parser = argparse.ArgumentParser() arg_parser.add_argument('-d', '--drug' , help = 'drug name (case sensitive)', default = None) arg_parser.add_argument('-g', '--gene' , help = 'gene name (case sensitive)', default = None) arg_parser.add_argument('--datadir' , help = 'Data Directory. By default, it assmumes homedir + git/Data') arg_parser.add_argument('-i', '--input_dir' , help = 'Input dir containing pdb files. By default, it assmumes homedir + + input') arg_parser.add_argument('-o', '--output_dir', help = 'Output dir for results. By default, it assmes homedir + + output') #arg_parser.add_argument('--mkdir_name' , help = 'Output dir for processed results. This will be created if it does not exist') arg_parser.add_argument('-m', '--make_dirs' , help = 'Make dir for input and output', action='store_true') arg_parser.add_argument('--debug' , action = 'store_true' , help = 'Debug Mode') args = arg_parser.parse_args() #%%============================================================================ # variable assignment: input and output paths & filenames drug = args.drug gene = args.gene datadir = args.datadir indir = args.input_dir outdir = args.output_dir #outdir_ppi2 = args.mkdir_name make_dirs = args.make_dirs #======= # dirs #======= if not datadir: datadir = homedir + '/git/Data/' if not indir: indir = datadir + drug + '/input/' if not outdir: outdir = datadir + drug + '/output/' #if not mkdir_name: # outdir_ppi2 = outdir + 'mcsm_ppi2/' outdir_ppi2 = outdir + 'mcsm_ppi2/' # Input file infile_mcsm_ppi2 = outdir_ppi2 + gene.lower() + '_output_combined_clean.csv' # Formatted output file outfile_mcsm_ppi2_f = outdir_ppi2 + gene.lower() + '_complex_mcsm_ppi2_norm.csv' #========================== # CALL: format_results_mcsm_na() # Data: gid+streptomycin #========================== print('Formatting results for:', infile_mcsm_ppi2) mcsm_ppi2_df_f = format_mcsm_ppi2_output(mcsm_ppi2_output_csv = infile_mcsm_ppi2) # writing file print('Writing formatted df to csv') mcsm_ppi2_df_f.to_csv(outfile_mcsm_ppi2_f, index = False) print('Finished writing file:' , '\nFile:', outfile_mcsm_ppi2_f , '\nExpected no. of rows:', len(mcsm_ppi2_df_f) , '\nExpected no. of cols:', len(mcsm_ppi2_df_f.columns) , '\n=============================================================') #%%#####################################################################