Package ffx.crystal

Enum Class LatticeSystem

java.lang.Object

java.lang.Enum<LatticeSystem>

ffx.crystal.LatticeSystem

All Implemented Interfaces:

Serializable, Comparable<LatticeSystem>, Constable

public enum LatticeSystem
extends Enum<LatticeSystem>

Enumeration of the 7 lattice systems.

Currently, the SpaceGroup class uses the HEXAGONAL_LATTICE in all cases where its also possible to use a RHOMBOHEDRAL_LATTICE.

This includes space groups 146, 148, 155, 160, 161, 166 and 167.

Since:

1.0

Author:

Michael J. Schnieders

Nested Class Summary

Nested classes/interfaces inherited from class java.lang.Enum

Enum.EnumDesc<E extends Enum<E>>

Enum Constant Summary

Enum Constants

Enum Constant	Description
CUBIC_LATTICE	Cubic lattice system.
HEXAGONAL_LATTICE	Hexagonal lattice system.
MONOCLINIC_LATTICE	Monoclinic lattice system.
ORTHORHOMBIC_LATTICE	Orthorhombic lattice system.
RHOMBOHEDRAL_LATTICE	Rhombohedral lattice system.
TETRAGONAL_LATTICE	Tetragonal lattice system.
TRICLINIC_LATTICE	Triclinic lattice system.

Method Summary

Modifier and Type	Method	Description
static boolean	check(double x1, double x2)	If the two passed values are the same, within the tolerance, return true.
double[]	fixParameters(double a, double b, double c, double alpha, double beta, double gamma)	Change the lattice parameters to satisfy the restrictions of the lattice system.
double	getDefaultAlpha()	Returns the default alpha for the lattice system.
double	getDefaultBAxis(double aaxis)	Returns the default b-axis for the lattice system.
double	getDefaultBeta()	Returns the default beta for the lattice system.
double	getDefaultCAxis(double aaxis, double baxis)	Returns the default c-axis for the lattice system.
double	getDefaultGamma()	Returns the default gamma for the lattice system.
double[]	resetUnitCellParams()	Reset lattice parameters for the given lattice systems.
boolean	validParameters(double a, double b, double c, double alpha, double beta, double gamma)	Check that the lattice parameters satisfy the restrictions of the lattice systems.
static LatticeSystem	valueOf(String name)	Returns the enum constant of this class with the specified name.
static LatticeSystem[]	values()	Returns an array containing the constants of this enum class, in the order they are declared.

Methods inherited from class java.lang.Enum

clone, compareTo, describeConstable, equals, finalize, getDeclaringClass, hashCode, name, ordinal, toString, valueOf

Methods inherited from class java.lang.Object

getClass, notify, notifyAll, wait, wait, wait

Enum Constant Details

TRICLINIC_LATTICE

public static final LatticeSystem TRICLINIC_LATTICE

Triclinic lattice system.

MONOCLINIC_LATTICE

public static final LatticeSystem MONOCLINIC_LATTICE

Monoclinic lattice system.

ORTHORHOMBIC_LATTICE

public static final LatticeSystem ORTHORHOMBIC_LATTICE

Orthorhombic lattice system.

TETRAGONAL_LATTICE

public static final LatticeSystem TETRAGONAL_LATTICE

Tetragonal lattice system.

RHOMBOHEDRAL_LATTICE

public static final LatticeSystem RHOMBOHEDRAL_LATTICE

Rhombohedral lattice system.

HEXAGONAL_LATTICE

public static final LatticeSystem HEXAGONAL_LATTICE

Hexagonal lattice system.

CUBIC_LATTICE

public static final LatticeSystem CUBIC_LATTICE

Cubic lattice system.

Method Details

values

public static LatticeSystem[] values()

Returns an array containing the constants of this enum class, in the order they are declared.

Returns:

an array containing the constants of this enum class, in the order they are declared

valueOf

public static LatticeSystem valueOf(String name)

Returns the enum constant of this class with the specified name. The string must match exactly an identifier used to declare an enum constant in this class. (Extraneous whitespace characters are not permitted.)

Parameters:

name - the name of the enum constant to be returned.

Returns:

the enum constant with the specified name

Throws:

IllegalArgumentException - if this enum class has no constant with the specified name

NullPointerException - if the argument is null

check

public static boolean check(double x1,
 double x2)

If the two passed values are the same, within the tolerance, return true.

Parameters:

x1 - First value.

x2 - Second value.

Returns:

Return true if the two values are the same within specified tolerance.

resetUnitCellParams

public double[] resetUnitCellParams()

Reset lattice parameters for the given lattice systems.

Returns:

New unit cell parameters.

validParameters

public boolean validParameters(double a,
 double b,
 double c,
 double alpha,
 double beta,
 double gamma)

Check that the lattice parameters satisfy the restrictions of the lattice systems.

Parameters:

a - the a-axis length.

b - the b-axis length.

c - the c-axis length.

alpha - the alpha angle.

beta - the beta angle.

gamma - the gamma angle.

Returns:

True if the restrictions are satisfied, false otherwise.

fixParameters

public double[] fixParameters(double a,
 double b,
 double c,
 double alpha,
 double beta,
 double gamma)

Change the lattice parameters to satisfy the restrictions of the lattice system.

Parameters:

a - the proposed a-axis length.

b - the proposed b-axis length.

c - the proposed c-axis length.

alpha - the proposed alpha angle.

beta - the proposed beta angle.

gamma - the proposed gamma angle.

Returns:

Adjusted parameters if the restrictions are satisfied, original parameters otherwise.

getDefaultBAxis

public double getDefaultBAxis(double aaxis)

Returns the default b-axis for the lattice system.

Parameters:

aaxis - the a-axis length is the best guess for b-axis.

Returns:

default b-axis value

getDefaultCAxis

public double getDefaultCAxis(double aaxis,
 double baxis)

Returns the default c-axis for the lattice system.

Parameters:

aaxis - the a-axis length.

baxis - the b-axis length.

Returns:

default c-axis value

getDefaultAlpha

public double getDefaultAlpha()

Returns the default alpha for the lattice system.

Returns:

default alpha value

getDefaultBeta

public double getDefaultBeta()

Returns the default beta for the lattice system.

Returns:

default beta value

getDefaultGamma

public double getDefaultGamma()

Returns the default gamma for the lattice system.

Returns:

default gamma value