diff --git a/tools/lib/data.py b/tools/lib/data.py index 86dee542..944b6ece 100644 --- a/tools/lib/data.py +++ b/tools/lib/data.py @@ -73,7 +73,7 @@ class dataFileBase(object): col=table[:,col] mymolecule=str(col[0]) mymethod=method(str(col[2]),str(col[1])) - finsts=dataFileBase.convertState(table[3:,0],firstState,commands=commands) + finsts=dataFileBase.convertState(table[3:,0],default=default,firstState=firstState,commands=commands) datacls=dict() for index,cell in enumerate(col[3:]): if str(cell)!="": @@ -86,11 +86,11 @@ class dataFileBase(object): else: cl=switcher[dt] data=cl() + datacls[dt]=data data.molecule=mymolecule data.method=mymethod data.excitations.append(excitationValue(firstState,finst[0],val,type=finst[2],isUnsafe=False)) - for datamtbe in datacls.values(): - datalist.append(datamtbe) + datalist.append(data) return datalist elif format==Format.COLUMN: subtablesindex=list()