Package com.actelion.research.chem.mcs
Class BondVector2IdCode
- java.lang.Object
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- com.actelion.research.chem.mcs.BondVector2IdCode
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public class BondVector2IdCode extends java.lang.Object
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Constructor Summary
Constructors Constructor Description BondVector2IdCode(StereoMolecule mol)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description boolean
containsFragmentOpenRing(IBitArray fragDefByBonds)
Fragment
getFragment(IBitArray fragDefByBonds)
Fragment
getFragment(IBitArray fragDefByBonds, boolean addWildcards)
java.lang.String
getFragmentIdCode(IBitArray fragDefByBonds)
java.lang.String
getFragmentIdCodeCarbonSkeleton(IBitArray fragDefByBonds)
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Constructor Detail
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BondVector2IdCode
public BondVector2IdCode(StereoMolecule mol)
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Method Detail
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containsFragmentOpenRing
public boolean containsFragmentOpenRing(IBitArray fragDefByBonds)
- Parameters:
fragDefByBonds
-- Returns:
- true if the fragment contains parts of a ring.
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getFragmentIdCode
public java.lang.String getFragmentIdCode(IBitArray fragDefByBonds)
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getFragmentIdCodeCarbonSkeleton
public java.lang.String getFragmentIdCodeCarbonSkeleton(IBitArray fragDefByBonds)
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