Class AtomPair

    • Constructor Detail

      • AtomPair

        public AtomPair()
    • Method Detail

      • generateValidationMessage

        public final String generateValidationMessage()
        Generate a validation message if the distance between this atom pair is larger than 150% of the maximum expected bond length (see Bond.length(AtomType, AtomType)).
        Returns:
        A message detailing the invalid distance or empty string ("") if all is fine.
      • distance

        @Lazy
        protected double distance()
      • bondLength

        @Lazy
        protected BondLength bondLength()