Interface IPharmacophorePoint

    • Method Detail

      • updateCoordinates

        void updateCoordinates​(Coordinates[] coords)
      • getRotatedDirectionality

        Coordinates getRotatedDirectionality​(double[][] m,
                                             double scaleFactor)
      • encode

        java.lang.String encode()
      • getCenterID

        int getCenterID()
      • setCenterID

        void setCenterID​(int id)
      • setDirectionality

        void setDirectionality​(Coordinates directionality)
      • updateAtomIndeces

        void updateAtomIndeces​(int[] map)
      • getDirectionalityDerivativeCartesian

        void getDirectionalityDerivativeCartesian​(double[] grad,
                                                  double[] v,
                                                  Coordinates di,
                                                  double sim)
      • getFunctionalityIndex

        int getFunctionalityIndex()
      • applyTransformation

        default void applyTransformation​(Transformation transform)