Replace multiple casNumbers in one row into single casNumber in multiple rows.

Convert-DTUCAG/Convert-DTUCAG.py

 #!/usr/bin/python
 
-__version_info__ = ('1', '0', '0')
+__version_info__ = ('1', '1', '0')
 __version__ = '.'.join(__version_info__)
 
 #############################################################################
@@ -88,6 +88,19 @@ capeg['casNumber'].replace('na', '7440-50-8', inplace=True)
 # capeg.drop(capeg.loc[capeg['casNumber']
 # .str.contains('[\(\)/]', regex=True)].index, inplace=True)
 
+# Handle every obscure case separate, just to be explicit.
+# First case: 824-39-5/26498-36-2
+# beceomes 824-39-5 and 26498-36-2
+capeg = capeg.mcra.dup_reggroups('casNumber', '([0-9\-]*)\s?/\s?([0-9\-]*)')
+# Second case: 468-44-0 + 510-75-8 (mixture 8030-53-3)
+# becomes 468-44-0 and 510-75-8
+capeg = capeg.mcra.dup_reggroups('casNumber', '([0-9\-]*)\s?\+\s?([0-9\-]*)')
+# Third case: 71751-41-2 (65195-55-3 B1a, 65195-56-4 B1b)
+# becomes 65195-55-3, 65195-56-4
+capeg = capeg.mcra.dup_reggroups('casNumber', '\(([0-9\-]*).*\,\s+([0-9\-]*)')
+# Fourth case: 8018-01-7 (formerly 8065-67-6)
+# becomes 8018-01-7
+capeg = capeg.mcra.dup_reggroups('casNumber', '^([0-9\-]*)')
 # Max length of strings (second argument)
 max_len = slice(0,99)
 

Convert-DTUCAG/dataconversion.py

@@ -17,7 +17,7 @@ import textwrap
 import getpass
 import re
 
-__version_info__ = ('0', '9', '0')
+__version_info__ = ('0', '9', '1')
 __version__ = '.'.join(__version_info__)
 
 # For debugging purposes
@@ -118,6 +118,16 @@ class McraAccessor:
         elif ext == '.xlsx':
             self._obj.to_excel(filename, sheet_name='Dump', index=False)
 
+    def dup_reggroups(self, column, regex):
+        temp_col = column+'__temp__'
+        dups=self._obj[column].str.extractall(regex)
+        dups[temp_col]=dups.values.tolist()
+        dups=dups.reset_index(level=[1])
+        self._obj=self._obj.join(dups[temp_col]).explode(temp_col).reset_index(drop=True)
+        self._obj.loc[(self._obj[temp_col].notna()),column]=self._obj[temp_col]
+        self._obj.drop(columns=temp_col, inplace=True)
+        return self._obj
+
 
 class DataFile:
     '''