Package org.openscience.cdk.interfaces

Examples of org.openscience.cdk.interfaces.IMolecule.clone()


    } else if(dealkylmatcher.matches()) {
      StereoInChIToMolecule.primeCacheForInChI(inchi);
      IMolecule mol = ConverterToInChI.getMolFromInChI(inchi);
      StructureConverter.configureMolecule(mol);
      //System.out.println(mol.getAtomCount());
      mol = (IMolecule)mol.clone();

      String atomStr = dealkylmatcher.group(2);
      //if(atomStr == null) return null;
      int alkylSize = 0;
      String groupStr = dealkylmatcher.group(3);
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