OrientedLattice¶
This is a Python binding to the C++ class Mantid::Geometry::OrientedLattice. The methods on this class follow naming conventions for parameters as defined in the International Tables for Crystallography. See also the note about orientation.
bases: mantid.geometry.UnitCell
- class mantid.geometry.OrientedLattice¶
- a((UnitCell)self) float : ¶
Returns the length of the
direction of the unit cell in .
- a1((UnitCell)self) float : ¶
Returns the length of the
direction of the unit cell. This is an alias fora()
.
- a2((UnitCell)self) float : ¶
Returns the length of the
direction of the unit cell. This is an alias forb()
.
- a3((UnitCell)self) float : ¶
Returns the length of the
direction of the unit cell. This is an alias forc()
.
- alpha((UnitCell)self) float : ¶
Returns the
angle for this unit cell in degrees.
- alphastar((UnitCell)self) float : ¶
Returns the reciprocal
angle for this unit cell in degrees.
- astar((UnitCell)self) float : ¶
Returns the length of the reciprocal
direction for this unit cell in reciprocal .
- b((UnitCell)self) float : ¶
Returns the length of the
direction of the unit cell in .
- b1((UnitCell)self) float : ¶
Returns the length of the
direction of the unit cell. This is an alias forastar()
.
- b2((UnitCell)self) float : ¶
Returns the length of the
direction of the unit cell. This is an alias forbstar()
.
- b3((UnitCell)self) float : ¶
Returns the length of the
direction of the unit cell. This is an alias forcstar()
.
- beta((UnitCell)self) float : ¶
Returns the
angle for this unit cell in degrees.
- beta1((UnitCell)self) float : ¶
Returns the
angle of the unit cell in radians. See alsoalphastar()
.
- beta2((UnitCell)self) float : ¶
Returns the
angle of the unit cell in radians. See alsobetastar()
.
- beta3((UnitCell)self) float : ¶
Returns the
angle of the unit cell in radians. See alsogammastar()
.
- betastar((UnitCell)self) float : ¶
Returns the
angle for this unit cell in degrees.
- bstar((UnitCell)self) float : ¶
Returns the length of the
direction for this unit cell in reciprocal .
- c((UnitCell)self) float : ¶
Returns the length of the
direction of the unit cell in .
- cosFromDir((OrientedLattice)self, (object)vec) V3D : ¶
Direction cosine from direction vector
- cstar((UnitCell)self) float : ¶
Returns the length of the
direction for this unit cell in reciprocal .
- d((UnitCell)self, (float)h, (float)k, (float)l) float : ¶
Returns
-spacing for a given H, K, L coordinate in .- d( (UnitCell)self, (V3D)hkl) -> float :
Returns
-spacing for a given H, K, L coordinate in .
- dstar((UnitCell)self, (float)h, (float)k, (float)l) float : ¶
Returns
for a given H, K, L coordinate in .
- errora((UnitCell)self) float : ¶
Returns the error in the
unit cell length.
- erroralpha((UnitCell)self[, (int)Unit=0]) float : ¶
Returns the error in the
angle of the unit cell.
- errorb((UnitCell)self) float : ¶
Returns the error in the
unit cell length.
- errorbeta((UnitCell)self[, (int)Unit=0]) float : ¶
Returns the error in
angle of the unit cell.
- errorc((UnitCell)self) float : ¶
Returns the error in the
unit cell length.
- errorgamma((UnitCell)self[, (int)Unit=0]) float : ¶
Returns the error in
angle of the unit cell.
- gamma((UnitCell)self) float : ¶
Returns the
angle for this unit cell in degrees.
- gammastar((UnitCell)self) float : ¶
Returns the
angle for this unit cell in degrees.
- getB((UnitCell)self) numpy.ndarray : ¶
Returns the
matrix for this unit cell. This will be in a right-handed coordinate system and using the Busing-Levy convention. This will return anumpy.ndarray
with shape(3,3)
.
- getBinv((UnitCell)self) numpy.ndarray : ¶
Returns the inverse of the
matrix for this unit cell.This will return anumpy.ndarray
with shape(3,3)
. See alsogetB()
.
- getG((UnitCell)self) numpy.ndarray : ¶
Returns the metric tensor for the unit cell. This will return a
numpy.ndarray
with shape(3,3)
.
- getGstar((UnitCell)self) numpy.ndarray : ¶
Returns the metric tensor for the reciprocal unit cell. This will return a
numpy.ndarray
with shape(3,3)
.
- getMaxOrder((UnitCell)self) int : ¶
Returns the number of modulation vectors. This will return an int.
- getModHKL((UnitCell)self) numpy.ndarray : ¶
Returns the
matrix for this unit cell. This will be in a right-handed coordinate system and using the Busing-Levy convention. This will return anumpy.ndarray
with shape(3,3)
.
- getModUB((OrientedLattice)self) numpy.ndarray : ¶
Returns the
matrix for this oriented lattice. This will return anumpy.ndarray
with shape(3,3)
.
- getModVec((UnitCell)self, (int)i) V3D : ¶
Returns the ith modulation vector
- getU((OrientedLattice)self) numpy.ndarray : ¶
Returns the
rotation matrix. This will return anumpy.ndarray
with shape(3,3)
.
- getUB((OrientedLattice)self) numpy.ndarray : ¶
Returns the
matrix for this oriented lattice. This will return anumpy.ndarray
with shape(3,3)
.
- getuVector((OrientedLattice)self) V3D : ¶
Returns the vector along the beam direction when
Goniometer
s are at 0.
- getvVector((OrientedLattice)self) V3D : ¶
Returns the vector along the horizontal plane, perpendicular to the beam direction when
Goniometer
s are at 0.
- hklFromQ((OrientedLattice)self, (object)vec) V3D : ¶
value from vector
- qFromHKL((OrientedLattice)self, (object)vec) V3D : ¶
vector from vector
- recAngle((UnitCell)self, (float)h1, (float)k1, (float)l1, (float)h2, (float)k2, (float)l2[, (int)Unit=0]) float : ¶
Returns the angle in reciprocal space between vectors given by (
) and ( ) (in degrees or radians). The optional parameterUnit
controls the units for the angles, and can have the value ofDegrees
orRadians
. By default Unit = Degrees
- recVolume((UnitCell)self) float : ¶
Return the volume of the reciprocal unit cell (in
)
- recalculateFromGstar((UnitCell)self, (object)NewGstar) None : ¶
Recalculate the unit cell parameters from a metric tensor. This method accepts a
numpy.ndarray
with shape(3,3)
.
- set((UnitCell)self, (float)_a, (float)_b, (float)_c, (float)_alpha, (float)_beta, (float)_gamma[, (int)Unit=0]) None : ¶
Set the parameters of the unit cell. Angles can be set in eitherdegrees or radians using the
Unit
parameter (0 = degrees, 1 = radians)
- setError((UnitCell)self, (float)_aerr, (float)_berr, (float)_cerr, (float)_alphaerr, (float)_betaerr, (float)_gammaerr[, (int)Unit=0]) None : ¶
Set the errors in the unit cell parameters.
- setErrora((UnitCell)self, (float)_aerr) None : ¶
Set the error in the length of the
direction of the unit cell.
- setErroralpha((UnitCell)self, (float)_alphaerr[, (int)Unit=0]) None : ¶
Set the error in the
angle of the unit cell.
- setErrorb((UnitCell)self, (float)_berr) None : ¶
Set the error in the length of the
direction of the unit cell.
- setErrorbeta((UnitCell)self, (float)_betaerr[, (int)Unit=0]) None : ¶
Set the error in the
angle of the unit cell using theUnit
parameter.
- setErrorc((UnitCell)self, (float)_cerr) None : ¶
Set the error in the length of the
direction of the unit cell.
- setErrorgamma((UnitCell)self, (float)_gammaerr[, (int)Unit=0]) None : ¶
Set the error in the
angle of the unit cell using theUnit
parameter.
- setMaxOrder((UnitCell)arg1, (int)arg2) None : ¶
Set the maximum order of modulated vectors searched
- setModUB((OrientedLattice)self, (object)newModUB) None : ¶
Set the
matrix. This methiod will calculate first the lattice parameters, then the matrix, and then . This method expects anumpy.ndarray
with shape(3,3)
.
- setModVec1((UnitCell)self, (V3D)vec) None : ¶
Set the first modulated structure vector
- setModVec2((UnitCell)self, (V3D)vec) None : ¶
Set the second modulated structure vector
- setModVec3((UnitCell)self, (V3D)vec) None : ¶
Set the third modulated structure vector
- setU((OrientedLattice)self, (object)newU[, (bool)force=True]) None : ¶
Set the
rotation matrix. This method expects anumpy.ndarray
with shape(3,3)
.
- setUB((OrientedLattice)self, (object)newUB) None : ¶
Set the
matrix. This methiod will calculate first the lattice parameters, then the matrix, and then . This method expects anumpy.ndarray
with shape(3,3)
.
- setUFromVectors((OrientedLattice)self, (object)u, (object)v) None : ¶
Set the
rotation matrix using two vectors to define a new coordinate system. This method with return the new matrix as anumpy.ndarray
with shape(3,3)
.
- seta((UnitCell)self, (float)_a) None : ¶
Set the length of the
direction of the unit cell.
- setalpha((UnitCell)self, (float)_alpha[, (int)Unit=0]) None : ¶
Set the
angle of the unit cell. The angle can be set either in degrees or radians using theUnit
parameter.
- setb((UnitCell)self, (float)_b) None : ¶
Set the length of the
direction of the unit cell.
- setbeta((UnitCell)self, (float)_beta[, (int)Unit=0]) None : ¶
Set the
angle of the unit cell. The angle can be set either in degrees or radians using theUnit
parameter.
- setc((UnitCell)self, (float)_c) None : ¶
Set the length of the
direction of the unit cell.
- setgamma((UnitCell)self, (float)_gamma[, (int)Unit=0]) None : ¶
Set the
angle of the unit cell. The angle can be set either in degrees or radians using theUnit
parameter.
- volume((UnitCell)self) float : ¶
Return the volume of the unit cell (in
)