diff --git a/tools/lib/data.py b/tools/lib/data.py index bc2312af..39ff4c4a 100644 --- a/tools/lib/data.py +++ b/tools/lib/data.py @@ -141,7 +141,7 @@ class dataFileBase(object): for first, last in subtablesindex: mymolecule=table[first,0] mytrans=table[first:first+1,1] - for i,mystr in enumerate(mytrans)): + for i,mystr in enumerate(mytrans): mystr=mytrans[i] try: mathsoup=TexSoup(mystr) @@ -170,7 +170,7 @@ class dataFileBase(object): for i,item in enumerate(infin): m=re.match(r"^(?P\d)\\[,:;\s]\s*\^(?P\d)(?P\S*)",item) infin[i]=state(m.group("number"),m.group("multiplicity"),m.group("sym")) - data.excitations.append(excitationValue(infin[0],infin[0],val,type=mytrans[1],isUnsafe=unsafe)) + data.excitations.append(excitationValue(infin[0],infin[1],val,type=mytrans[1],isUnsafe=unsafe,T1=T1)) for value in datacls.values(): datalist.append(value) elif format==Format.TBE: