Changeset 3185 for trunk/GSASIIdataGUI.py
- Timestamp:
- Dec 9, 2017 8:14:28 AM (5 years ago)
- File:
-
- 1 edited
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trunk/GSASIIdataGUI.py
r3182 r3185 3968 3968 for item in Comments: #grab chemical formula from Comments 3969 3969 if 'formula' in item[:15].lower(): 3970 formula = item.split('=')[1]. replace('"','').split()3970 formula = item.split('=')[1].strip('"\n').split() 3971 3971 try: 3972 if len(formula) < 2: 3973 formula = ['C',] 3974 raise ValueError 3972 3975 elems = formula[::2] 3973 3976 nums = formula[1::2] … … 3982 3985 except ValueError: 3983 3986 ElData = G2elem.GetElInfo(formula[0],Parms) 3987 sumnum = 1.0 3984 3988 ElData['FormulaNo'] = 1.0 3985 3989 ElList[elem] = ElData 3986 3990 ElLists.append(ElList) 3991 print(sumnum) 3987 3992 id, cookie = self.GPXtree.GetNextChild(self.root, cookie) 3988 3993 if len(TextList) < 1:
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