resolving missing mutation info in combining script

scripts/combining_dfs.py

@@ -54,6 +54,7 @@ os.getcwd()
 # FIXME: local imports
 #from combining import combine_dfs_with_checks
 from combining_FIXME import detect_common_cols
+from reference_dict import oneletter_aa_dict # CHECK DIR STRUC THERE!
 #=======================================================================
 #%% command line args
 arg_parser = argparse.ArgumentParser()
@@ -155,6 +156,8 @@ ncols_m1 = len(mcsm_foldx_dfs.columns)
 
 print('\n\nResult of first merge:', mcsm_foldx_dfs.shape
       , '\n===================================================================')
+mcsm_foldx_dfs[merging_cols_m1].apply(len)
+mcsm_foldx_dfs[merging_cols_m1].apply(len) == len(mcsm_foldx_dfs)
 #%%============================================================================
 print('==================================='
       , '\nSecond merge: dssp + kd'
@@ -183,6 +186,8 @@ ncols_m3 = len(dssp_kd_rd_dfs.columns)
 
 print('\n\nResult of Third merge:', dssp_kd_rd_dfs.shape
       , '\n===================================================================')
+dssp_kd_rd_dfs[merging_cols_m3].apply(len)
+dssp_kd_rd_dfs[merging_cols_m3].apply(len) == len(dssp_kd_rd_dfs)
 #%%============================================================================
 print('======================================='
       , '\nFourth merge: First merge + Third merge'
@@ -203,12 +208,14 @@ else:
 
 print('\nResult of Fourth merge:', combined_df.shape
       , '\n===================================================================')
+combined_df[merging_cols_m4].apply(len)
+combined_df[merging_cols_m4].apply(len) == len(combined_df)
 #%%============================================================================
 
 # OR merges: TEDIOUSSSS!!!!
 
 
-#%%RRRR
+#%%
 print('==================================='
       , '\nFifth merge: afor_df + afor_kin_df'
       , '\n===================================')
@@ -220,8 +227,6 @@ afor_df = pd.read_csv(infile_afor, sep = ',')
 afor_kin_df = pd.read_csv(infile_afor_kin, sep = ',')
 afor_kin_df.columns = afor_kin_df.columns.str.lower()
 
-
-
 merging_cols_m5 = detect_common_cols(afor_df, afor_kin_df)
 
 print('Dim of afor_df:', afor_df.shape
@@ -244,7 +249,7 @@ common_muts = len(afor_df[afor_df['mutation'].isin(afor_kin_df['mutation'])])
 extra_muts_myor =   afor_kin_df.shape[0] - common_muts
 
 print('=========================================='
-      , '\nmy or calcs', extra_muts_myor, 'extra mutation\n'
+      , '\nmy or calcs has', extra_muts_myor, 'extra mutations'
       , '\n==========================================')
 
 print('Expected cals for merging with outer_join...')
@@ -261,12 +266,13 @@ else:
           , '\nCheck expected rows and cols calculation and join type')
 
 print('Dim of merged ors_df:', ors_df.shape)
+
+ors_df[merging_cols_m5].apply(len)
+ors_df[merging_cols_m5].apply(len) == len(ors_df)
 #%%============================================================================
 # formatting ors_df
-
 ors_df.columns
 
-
 # Dropping unncessary columns: already removed in ealier preprocessing
 #cols_to_drop = ['reference_allele', 'alternate_allele', 'symbol' ]
 cols_to_drop = ['n_miss']
@@ -324,7 +330,7 @@ column_order = ['mutation'
                 #, 'n_miss'
                 ]
 
-if ( (len(column_order) == ors_df.shape[1]) and (DataFrame(column_order).isin(ors_df.columns).all().all()):
+if ( (len(column_order) == ors_df.shape[1]) and (DataFrame(column_order).isin(ors_df.columns).all().all())):
     print('PASS: Column order generated for all:', len(column_order), 'columns'
           , '\nColumn names match, safe to reorder columns'
           , '\nApplying column order to df...' )
@@ -357,10 +363,35 @@ print('Checking mutations in the two dfs:'
 
 #print('\nNo. of common muts:', np.intersect1d(combined_df['mutationinformation'], ors_df_ordered['mutationinformation']) )
 
-#!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 combined_df_all = pd.merge(combined_df, ors_df, on = merging_cols_m6, how = l_join)
 combined_df_all.shape
 
+# populate mut_info_f1
+combined_df_all['mut_info_f1'].isna().sum()
+combined_df_all['mut_info_f1'] = combined_df_all['position'].astype(str) + combined_df_all['wild_type'] + '>' + combined_df_all['position'].astype(str) + combined_df_all['mutant_type']
+combined_df_all['mut_info_f1'].isna().sum()  
+
+# populate mut_type
+combined_df_all['mut_type'].isna().sum()
+#mut_type_word = combined_df_all['mut_type'].value_counts()
+mut_type_word  = 'missense' # FIXME, should be derived
+combined_df_all['mut_type'].fillna(mut_type_word, inplace = True)
+combined_df_all['mut_type'].isna().sum()
+
+# populate gene_id
+combined_df_all['gene_id'].isna().sum()
+#gene_id_word = combined_df_all['gene_id'].value_counts()
+gene_id_word  = 'Rv2043c' # FIXME, should be derived
+combined_df_all['gene_id'].fillna(gene_id_word, inplace = True)
+combined_df_all['gene_id'].isna().sum()
+
+# populate gene_name
+combined_df_all['gene_name'].isna().sum()
+combined_df_all['gene_name'].value_counts()
+combined_df_all['gene_name'].fillna(gene, inplace = True)
+combined_df_all['gene_name'].isna().sum()
+
+
 # FIXME: DIM
 # only with left join!
 outdf_expected_rows = len(combined_df)
@@ -383,11 +414,52 @@ else:
              , '\nmuts in df2 but NOT in df1:'
              , ors_df['mutationinformation'].isin(combined_df['mutationinformation']).sum())
     sys.exit()
-#!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+    
-# nan in mutation col
+
-# FIXME: should get fixmed with JP's resolved dataset!?
+#%% IMPORTANT: check if mutation related info is all populated after this merge  
-combined_df_all['mutation'].isna().sum()
+# FIXME: should get fixed with JP's resolved dataset!?
+check_nan = combined_df_all.isna().sum(axis = 0)
+# relevant mut cols
+check_mut_cols = merging_cols_m5 + merging_cols_m6
+
+count_na_mut_cols = combined_df_all[check_mut_cols].isna().sum().reset_index().rename(columns = {'index': 'col_name', 0: 'na_count'})
+
+if (count_na_mut_cols['na_count'].sum() > 0).any():
+    # FIXME: static override, generate 'mutation' from variable
+    na_muts_n = combined_df_all['mutation'].isna().sum() 
     baz = combined_df_all[combined_df_all['mutation'].isna()]
+    baz = baz[check_mut_cols]
+    print(na_muts_n, 'mutations have missing \'mutation\' info.'
+          , '\nFetching these from reference dict...')
+    
+lookup_dict = dict()
+for k, v in oneletter_aa_dict.items():
+    lookup_dict[k] = v['three_letter_code_lower']
+    print(lookup_dict)
+    wt_3let = combined_df_all['wild_type'].map(lookup_dict).str.capitalize()
+    #print(wt_3let)
+    pos = combined_df_all['position'].astype(str)
+    #print(pos)
+    mt_3let = combined_df_all['mutant_type'].map(lookup_dict).str.capitalize()
+    #print(mt_3let)
+    baz['mutation'] = 'pnca_p.' + wt_3let + pos + mt_3let
+    print(combined_df_all['mutation'])    
+
+# populate mut_info_f2
+combined_df_all['mut_info_f2'] = combined_df_all['mutation'].str.replace(gene_match.lower(), 'p.', regex = True)
+
+#%% merge
+#merging_cols_m7 = detect_common_cols(combined_df_all, baz)
+
+baz2 = baz[['mutationinformation', 'mut_info_f2']]
+baz2 = baz2.drop_duplicates()
+merging_cols_m7 = detect_common_cols(combined_df_all, baz2)
+
+combined_df_all2 = pd.merge(combined_df_all, baz2
+                           #, on = merging_cols_m7
+                            , on = 'mutationinformation'
+                            , how = o_join)
+
 #%%============================================================================
 output_cols = combined_df_all.columns
 print('Output cols:', output_cols)

scripts/data_extraction.py

@@ -45,8 +45,6 @@ Created on Tue Aug  6 12:56:03 2019
 #5. chain
 #6. wild_pos
 #7. wild_chain_pos
-
-
 #=======================================================================
 #%% load libraries
 import os, sys

scripts/or_kinship_link.py

@@ -104,7 +104,7 @@ or_df.columns
 
 #%% snp_info file: master and gene specific ones
 # gene info
-info_df2  = pd.read_csv(gene_info, sep = '\t', header = 0) #447, 10 
+info_df2  = pd.read_csv(gene_info, sep = '\t', header = 0) #447, 11
 #info_df2  = pd.read_csv(gene_info, sep = ',', header = 0) #447 10   
 mis_mut_cover = (info_df2['chromosome_number'].nunique()/info_df2['chromosome_number'].count()) * 100
 print('*****RESULT*****'
@@ -212,7 +212,7 @@ else:
 
 #PENDING Jody's reply 
 # !!!!!!!! 
-# drop nan from dfm2_mis as these are not useful
+# drop nan from dfm2_mis as these are not useful and JP confirmed the same
 print('Dropping NAs before further processing...')
 dfm2_mis = dfm2[dfm2['mut_type'].notnull()]
 # !!!!!!!!