Class DihedralControl

  • @PublicAPI
    public class DihedralControl
    extends Control
    This control is to change a dihedral angle that is torsion a GraphicComponent. Dihedral of 4 components is the angle between the 2 planes determinde by the first 3 and the second 3 components. Measuring dihedral has only sense if the 4 elements are 4 atoms of a molecule. In this sense DihedralControl is rotation of a part of a molecule around a bond.
    Marvin 4.0.2
    • Field Detail

      • atomA

        protected int atomA
      • atomB

        protected int atomB
      • center

        protected int center
      • bond

        protected int bond
    • Constructor Detail

      • DihedralControl

        public DihedralControl​(DihedralMonitor monitor)
        Creates a new instance of DihedralControl
    • Method Detail

      • finalize

        public void finalize()
        finalize in class Object
      • setAtoms

        public void setAtoms​(int atomA,
                             int atomB)
        Sets 2 atoms as the 2 end of the torsion bond.
        atomA - index of one of the atoms in the molecule
        atomB - index of the other atom in the molecule
      • flip

        public void flip()
        Torsion will affect the other part of the component.
      • setComponent

        public void setComponent​(GraphicComponent gc)
        Sets the affecting component of the DihedralControl which has to be a MoleculeComponent.
        setComponent in class Control
      • control

        public void control​(int v)
        One part of the molecule being in one of the end of the torsion bond will be rotated around the bond.
        Specified by:
        control in class Control
      • control

        public void control​(int x,
                            int y)
        Does nothing.
        Specified by:
        control in class Control
      • getColor

        public byte[] getColor()
        Returns the color of the control. It is yellow by default.
        Specified by:
        getColor in class Control