public class CrystalTransform
extends java.lang.Object
implements java.io.Serializable
Modifier and Type | Field and Description |
---|---|
static Matrix4d |
IDENTITY |
Constructor and Description |
---|
CrystalTransform(CrystalTransform transform)
Copy constructor
|
CrystalTransform(SpaceGroup sg)
Creates a new CrystalTransform representing the identity transform
in cell (0,0,0)
|
CrystalTransform(SpaceGroup sg,
int transformId)
Represents the n-th transform
|
Modifier and Type | Method and Description |
---|---|
Point3i |
getCrystalTranslation() |
Matrix4d |
getMatTransform() |
int |
getTransformId() |
TransformType |
getTransformType()
Returns the TransformType of this transformation: AU, crystal translation, fractional translation
, 2 3 4 6-fold rotations, 2 3 4 6-fold screw rotations, -1 -3 -2 -4 -6 inversions/rotoinversions.
|
Vector3d |
getTranslScrewComponent() |
static Vector3d |
getTranslScrewComponent(Matrix4d m)
Given a transformation matrix containing a rotation and translation returns the
screw component of the rotation.
|
boolean |
isEquivalent(CrystalTransform other)
Returns true if the given CrystalTransform is equivalent to this one.
|
boolean |
isFractionalTranslation()
Tells whether this transformation contains a fractional translational
component (whatever its rotational component).
|
boolean |
isIdentity()
Tells whether this transformation is the identity: no rotation and no translation
|
boolean |
isPureCrystalTranslation()
Tells whether this transformation is a pure crystal lattice translation,
i.e. no rotational component and an integer translation vector.
|
boolean |
isPureTranslation()
Tells whether this transformation is a pure translation:
either a pure crystal (lattice) translation or a fractional (within
unit cell) translation: space groups Ixxx, Cxxx, Fxxx have operators
with fractional translations within the unit cell.
|
boolean |
isRotation()
Tells whether this transformation is a rotation disregarding the translational component,
i.e. either pure rotation or screw rotation, but not improper rotation.
|
void |
setMatTransform(Matrix4d matTransform) |
void |
setTransformId(int transformId) |
java.lang.String |
toString() |
java.lang.String |
toXYZString()
Expresses this transformation in terms of x,y,z fractional coordinates.
|
void |
translate(Point3i translation) |
public CrystalTransform(SpaceGroup sg)
public CrystalTransform(SpaceGroup sg, int transformId)
sg
- transformId
- public CrystalTransform(CrystalTransform transform)
transform
- public Matrix4d getMatTransform()
public void setMatTransform(Matrix4d matTransform)
public Point3i getCrystalTranslation()
public void translate(Point3i translation)
public boolean isEquivalent(CrystalTransform other)
other
- public boolean isPureCrystalTranslation()
public boolean isIdentity()
public boolean isPureTranslation()
public boolean isFractionalTranslation()
public boolean isRotation()
public TransformType getTransformType()
public Vector3d getTranslScrewComponent()
public int getTransformId()
public void setTransformId(int transformId)
public java.lang.String toString()
toString
in class java.lang.Object
public java.lang.String toXYZString()
public static Vector3d getTranslScrewComponent(Matrix4d m)
m
-