Commit 01689763 authored by Tristen Liu's avatar Tristen Liu
Browse files

removed variable values

parent bfa78270

testcases/molecule_input.py

+3 −3
Original line number Diff line number Diff line
@@ -75,10 +75,10 @@ def writeIsomorphic(mol_name, smiles): 


if __name__ == "__main__":

    # replace with name of molecule

    mol_name = "adenine"

    mol_name = ""

    

    # replace with smiles string of molecule

    smiles = 'c1[nH]c(c-2ncnc2n1)N'

    smiles = ''

    

    writeMolecule(mol_name, smiles)

    writeIsomorphic(mol_name, smiles)