Class RosenbluthChi0Move

java.lang.Object
ffx.algorithms.mc.RosenbluthChi0Move
All Implemented Interfaces:
MCMove

public class RosenbluthChi0Move extends Object implements MCMove
Represents a random chi[0] spin of the target residue. For use with RosenbluthRotamerMC.
Author:
Stephen D. LuCore
  • Field Details

    • theta

      public final double theta
      The value of theta.
  • Method Details

    • move

      public void move()
      Performs the move associated with this MCMove.

      Performs the move associated with this MCMove. Also updates chi values in associated Torsion objects.

      Specified by:
      move in interface MCMove
    • revertMove

      public void revertMove()
      Reverts the last applied move() call. Returns the same energy change as described above (with the same sign).

      Reverts the last applied move() call.

      Specified by:
      revertMove in interface MCMove
    • toString

      public String toString()
      Overrides:
      toString in class Object