@PublicAPI public class CIPStereoCalculator extends java.lang.Object
Modifier and Type | Method and Description |
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static java.util.Collection<CIPStereoDescriptorIface> |
calculateCIPStereoDescriptors(MoleculeGraph mol) |
static java.util.Collection<CIPStereoDescriptorIface> |
calculateCIPStereoDescriptors(MoleculeGraph mol,
boolean iupac) |
static java.util.Collection<CIPStereoDescriptorIface> |
calculateCIPStereoDescriptors(MoleculeGraph mol,
java.util.EnumSet<CIPStereoDescriptorIface.CIPType> types,
boolean iupac)
Calculates the stereo descriptors of the given molecule.
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public static java.util.Collection<CIPStereoDescriptorIface> calculateCIPStereoDescriptors(MoleculeGraph mol)
public static java.util.Collection<CIPStereoDescriptorIface> calculateCIPStereoDescriptors(MoleculeGraph mol, boolean iupac)
public static java.util.Collection<CIPStereoDescriptorIface> calculateCIPStereoDescriptors(MoleculeGraph mol, java.util.EnumSet<CIPStereoDescriptorIface.CIPType> types, boolean iupac)
mol
- molecule to process