Class DefaultVFBondMatcher

java.lang.Object
org.openscience.cdk.smsd.algorithm.matchers.DefaultVFBondMatcher
All Implemented Interfaces:
VFBondMatcher

@Deprecated public class DefaultVFBondMatcher extends Object implements VFBondMatcher
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

    • DefaultVFBondMatcher

      public DefaultVFBondMatcher()
      Deprecated.
      Constructor
    • DefaultVFBondMatcher

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

      public DefaultVFBondMatcher(IQueryBond queryBond)
      Deprecated.
      Constructor
      Parameters:
      queryBond - query Molecule
  • Method Details

    • matches

      public boolean matches(TargetProperties targetConatiner, IBond targetBond)
      Deprecated.
      Specified by:
      matches in interface VFBondMatcher
      Parameters:
      targetConatiner - 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