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Fix a subtablesindex bug that skip last molecule of COLUMN and TBE format
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@ -102,6 +102,7 @@ class dataFileBase(object):
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if str(table[i,0])!="":
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subtablesindex.append((firstindex,i-1))
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firstindex=i
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subtablesindex.append((firstindex,np.size(table,0)))
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for first, last in subtablesindex:
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for col in range(2,np.size(table,1)):
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datacls=dict()
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@ -133,6 +134,7 @@ class dataFileBase(object):
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if str(table[i,0])!="":
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subtablesindex.append((firstindex,i-1))
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firstindex=i
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subtablesindex.append((firstindex,np.size(table,0)))
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for first, last in subtablesindex:
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datacls=dict()
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mymolecule=str(table[first,0])
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