Package ffx.crystal

Class SpaceGroupConversions

java.lang.Object

ffx.crystal.SpaceGroupConversions

public class SpaceGroupConversions
extends Object

This class holds the functionality to convert between equivalent space groups.

Method Summary

Modifier and Type	Method	Description
static Crystal	hrConversion(double a, double b, double c, double alpha, double beta, double gamma, SpaceGroup currentSG)	Convert between hexagonal and rhombohedral space groups.
static Crystal	hrConversion(Crystal crystal)	Convert between hexagonal and rhombohedral space groups.

Methods inherited from class java.lang.Object

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

Method Details

hrConversion

public static Crystal hrConversion(Crystal crystal)

Convert between hexagonal and rhombohedral space groups.

Parameters:

crystal - Crystal parameters to be converted.

Returns:

Converted crystal.

hrConversion

public static Crystal hrConversion(double a,
 double b,
 double c,
 double alpha,
 double beta,
 double gamma,
 SpaceGroup currentSG)

Convert between hexagonal and rhombohedral space groups.

Parameters:

a - proposed axis length

b - proposed axis length

c - proposed axis length

alpha - proposed angle

beta - proposed angle

gamma - proposed angle

currentSG - Space group to be converted

Returns:

Converted crystal satisfying other lattice system.