Class DefaultBondMatcher

  • All Implemented Interfaces:
    BondMatcher

    @Deprecated
    public class DefaultBondMatcher
    extends Object
    implements BondMatcher
    Deprecated.
    This class is part of SMSD and either duplicates functionality elsewhere in the CDK or provides public access to internal implementation details. SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.
    Checks if a bond is matching between query and target molecules.
    Author:
    Syed Asad Rahman <asad@ebi.ac.uk>
    Source code:
    main
    Belongs to CDK module:
    smsd
    • Constructor Detail

      • DefaultBondMatcher

        public DefaultBondMatcher()
        Deprecated.
        Constructor
      • DefaultBondMatcher

        public DefaultBondMatcher​(IAtomContainer queryMol,
                                  IBond queryBond,
                                  boolean shouldMatchBonds)
        Deprecated.
        Constructor
        Parameters:
        queryMol - query Molecule
        queryBond - query Molecule
        shouldMatchBonds - bond match flag
      • DefaultBondMatcher

        public DefaultBondMatcher​(IQueryBond queryBond)
        Deprecated.
        Constructor
        Parameters:
        queryBond - query Molecule
    • Method Detail

      • matches

        public boolean matches​(IAtomContainer targetContainer,
                               IBond targetBond)
        Deprecated.
        Specified by:
        matches in interface BondMatcher
        Parameters:
        targetContainer - target container
        targetBond - target bond
        Returns:
        true if bonds match
      • isBondMatchFlag

        public boolean isBondMatchFlag()
        Deprecated.
        Returns:
        the shouldMatchBonds
      • setBondMatchFlag

        public final void setBondMatchFlag​(boolean shouldMatchBonds)
        Deprecated.
        Parameters:
        shouldMatchBonds - the shouldMatchBonds to set