diff --git a/meta_data_analysis/combine_dfs.py b/meta_data_analysis/combine_dfs.py index 745505b..f20215d 100755 --- a/meta_data_analysis/combine_dfs.py +++ b/meta_data_analysis/combine_dfs.py @@ -6,35 +6,36 @@ Created on Tue Aug 6 12:56:03 2019 @author: tanu ''' # FIXME: change filename 4 (mcsm normalised data) -# to be consistent like (pnca_mcsm_norm.csv) +# to be consistent like (pnca_complex_mcsm_norm.csv) : changed manually, but ensure this is done in the mcsm pipeline #============================================================================= # Task: combine 4 dfs with aa position as linking column # This is done in 2 steps: -# merge 1: of 3 dfs -# pnca_dssp.csv -# pnca_kd.csv -# pnca_rd.csv +# merge 1: of 3 dfs (filenames in lowercase) +# _dssp.csv +# _kd.csv +# _pnca_rd.csv # merge 2: of 2 dfs -# mcsm_complex1_normalised.csv (!fix name) +# pnca_complex_mcsm_norm.csv (!fix name in mcsm script) # output df from merge1 # Input: 3 dfs -# pnca_dssp.csv -# pnca_kd.csv -# pnca_rd.csv -# mcsm_complex1_normalised.csv (!fix name) +# _dssp.csv +# _kd.csv +# _pnca_rd.csv +# pnca_complex_mcsm_norm.csv (!fix name in mcsm script) # Output: .csv of all 4 dfs combined # useful link -#https://stackoverflow.com/questions/23668427/pandas-three-way-joining-multiple-dataframes-on-columns +# https://stackoverflow.com/questions/23668427/pandas-three-way-joining-multiple-dataframes-on-columns #============================================================================= #%% load packages import sys, os import pandas as pd #import numpy as np -#============================================================================= +import argparse +#======================================================================= #%% specify input and curr dir homedir = os.path.expanduser('~') @@ -42,27 +43,36 @@ homedir = os.path.expanduser('~') os.getcwd() os.chdir(homedir + '/git/LSHTM_analysis/meta_data_analysis') os.getcwd() -#============================================================================= +#======================================================================= +#%% command line args +arg_parser = argparse.ArgumentParser() +#arg_parser.add_argument('-d', '--drug', help='drug name', default = 'pyrazinamide') +#arg_parser.add_argument('-g', '--gene', help='gene name', default = 'pncA') # case sensitive +arg_parser.add_argument('-d', '--drug', help='drug name', default = 'pyrazin') +arg_parser.add_argument('-g', '--gene', help='gene name', default = 'pn') # case sensitive +args = arg_parser.parse_args() +#======================================================================= #%% variable assignment: input and output -drug = 'pyrazinamide' -gene = 'pncA' -gene_match = gene + '_p.' +#drug = 'pyrazinamide' +#gene = 'pncA' +#gene_match = gene + '_p.' +drug = args.drug +gene = args.gene #========== # data dir #========== -#indir = 'git/Data/pyrazinamide/input/original' datadir = homedir + '/' + 'git/Data' #======= # input #======= -#indir = 'git/Data/pyrazinamide/input/original' indir = datadir + '/' + drug + '/' + 'output' in_filename1 = 'pnca_dssp.csv' in_filename2 = 'pnca_kd.csv' in_filename3 = 'pnca_rd.csv' -in_filename4 = 'mcsm_complex1_normalised.csv' # FIXNAME +#in_filename4 = 'mcsm_complex1_normalised.csv' # Fix name in mcsm script +in_filename4 = 'pnca_complex_mcsm_norm.csv' # manually changed temporarily infile1 = indir + '/' + in_filename1 infile2 = indir + '/' + in_filename2 @@ -235,4 +245,4 @@ print('Finished writing:', out_filename , '\n===================================================================') #%% end of script -#============================================================================== \ No newline at end of file +#==============================================================================