Class DefaultBondMatcher

java.lang.Object
org.openscience.cdk.smsd.algorithm.matchers.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 Details

    • 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 Details

    • 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