tidy code and saving work for the day

meta_data_analysis/dssp_df.py

@@ -55,13 +55,12 @@ indir = datadir + '/' + drug + '/' + 'output'
 in_filename = gene.lower() +'.dssp'
 infile = indir + '/' + in_filename
 print('Input filename:', in_filename
-      , '\nInput path:', indir)
+      , '\nInput path:', indir
+      , '\n============================================================')
       
 # specify PDB chain
 my_chain = 'A'
 
-print('======================================================================')
-
 #=======
 # output 
 #=======
@@ -70,9 +69,9 @@ out_filename = gene.lower() + '_dssp.csv'
 outfile =  outdir + '/' + out_filename
 print('Output filename:', out_filename
       , '\nOutput path:', outdir
-      ,'\nOutfile: ', outfile)
+      , '\nOutfile: ', outfile
+      , '\n=============================================================')
       
-print('======================================================================')
 #%% end of variable assignment for input and output files
 #=======================================================================
 # Process dssp output and extract into df
@@ -96,14 +95,15 @@ dssp_df.columns
 #%% Write ouput csv file
 print('Writing file:', outfile
       , '\nFilename:', out_filename
-      , '\nPath:',  outdir)
+      , '\nPath:',  outdir
+      , '\n=============================================================')
 
 # write to csv
 dssp_df.to_csv(outfile, header=True, index = False)
 
 print('Finished writing:', out_filename
      , '\nNo. of rows:', len(dssp_df)
-     , '\nNo. of cols:', len(dssp_df.columns))
-print('======================================================================')
+     , '\nNo. of cols:', len(dssp_df.columns)
+     , '\n==============================================================')
 #%% end of script
 #=======================================================================