Class MCSFast


  • public class MCSFast
    extends java.lang.Object
    • Constructor Detail

      • MCSFast

        public MCSFast()
      • MCSFast

        public MCSFast​(int ringStatus)
    • Method Detail

      • getAllCommonSubstructures

        public java.util.List<StereoMolecule> getAllCommonSubstructures()
        All molecules which are sub structures of an other molecule in the list are removed.
        Returns:
      • getMCS

        public StereoMolecule getMCS()
        Returns:
        maximum common substructure at top of list or null of none common MCS was found.
      • getScore

        public double getScore()
      • isConsiderAromaticRings

        public boolean isConsiderAromaticRings()
      • isConsiderRings

        public boolean isConsiderRings()