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 Detail

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.