forked from enviPath/enviPy
If Molecule contains a ~ load it as SMARTS (#71)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch> Reviewed-on: enviPath/enviPy#71
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@ -682,6 +682,9 @@ class IndigoUtils(object):
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i.setOption("render-image-size", width, height)
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i.setOption("render-bond-line-width", 2.0)
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if '~' in mol_data:
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mol = i.loadSmarts(mol_data)
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else:
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mol = i.loadMolecule(mol_data)
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if len(functional_groups.keys()) > 0:
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