Package pl.poznan.put.circular.conversion

Class CartesianUtilities

java.lang.Object
pl.poznan.put.circular.conversion.CartesianUtilities
public final class CartesianUtilities extends Object
A set of utility functions on the edge between cartesian and trigonometric representations.

  • Method Summary

    Modifier and Type
    Method
    Description
    static org.apache.commons.math3.geometry.euclidean.threed.Vector3D
    nextPlacement(org.apache.commons.math3.geometry.euclidean.threed.Vector3D coordA, org.apache.commons.math3.geometry.euclidean.threed.Vector3D coordB, org.apache.commons.math3.geometry.euclidean.threed.Vector3D coordC, double lengthCD, Angle angleBCD, Angle torsionABCD)
    Computes position of atom D, if you know positions of A, B and C, and the length of bond B-C, and the angle B-C-D and the torsion angle A-B-C-D.

    Methods inherited from class java.lang.Object

    clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

  • Method Details

    • nextPlacement

      public static org.apache.commons.math3.geometry.euclidean.threed.Vector3D nextPlacement(org.apache.commons.math3.geometry.euclidean.threed.Vector3D coordA, org.apache.commons.math3.geometry.euclidean.threed.Vector3D coordB, org.apache.commons.math3.geometry.euclidean.threed.Vector3D coordC, double lengthCD, Angle angleBCD, Angle torsionABCD)
      Computes position of atom D, if you know positions of A, B and C, and the length of bond B-C, and the angle B-C-D and the torsion angle A-B-C-D.
      Parameters:
      coordA - Coordinates of atom A.
      coordB - Coordinates of atom B.
      coordC - Coordinates of atom C.
      lengthCD - Length of bond C-D.
      angleBCD - Angle between atoms B-C-D.
      torsionABCD - Torsion angle between atoms A-B-C-D.
      Returns:
      Coordinate of atom D.