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Static Public Member Functions

org::openscience::cdk::geometry::CrystalGeometryTools Class Reference

List of all members.

Static Public Member Functions

static Vector3d[] calcInvertedAxes (Vector3d aAxis, Vector3d bAxis, Vector3d cAxis)
static Point3d cartesianToFractional (Vector3d aAxis, Vector3d bAxis, Vector3d cAxis, Point3d cartPoint)
static double[] cartesianToNotional (Vector3d aAxis, Vector3d bAxis, Vector3d cAxis)
static void fractionalToCartesian (ICrystal crystal)
static Point3d fractionalToCartesian (Vector3d aAxis, Vector3d bAxis, Vector3d cAxis, Point3d frac)
static boolean hasCrystalCoordinates (IAtomContainer container)
static Vector3d[] notionalToCartesian (double alength, double blength, double clength, double alpha, double beta, double gamma)

Detailed Description

A set of static methods for working with crystal coordinates.

.module standard .githash

Author:
Egon Willighagen <egonw@sci.kun.nl>

.keyword fractional coordinates, crystal

Definition at line 50 of file CrystalGeometryTools.java.


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