Class InteractionAtomTypeCalculator


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

      • InteractionAtomTypeCalculator

        public InteractionAtomTypeCalculator()
    • Method Detail

      • getAtomType

        public static int getAtomType​(StereoMolecule mol,
                                      int atom)
      • getString

        public static java.lang.String getString​(int atomType)
      • getAtomicNumber

        public static int getAtomicNumber​(int atomType)
      • isCarbonInteraction

        public static boolean isCarbonInteraction​(int atomType)
      • isAromatic

        public static boolean isAromatic​(int atomType)
      • setInteractionTypes

        public static void setInteractionTypes​(Molecule3D mol)
      • getGenericDonor

        public static int getGenericDonor()
      • getGenericAcceptor

        public static int getGenericAcceptor()
      • getGenericPosCharge

        public static int getGenericPosCharge()
      • getGenericNegCharge

        public static int getGenericNegCharge()