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
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 for a()
.
a2
((UnitCell)self) → float :¶Returns the length of the direction of the unit cell. This is an alias for b()
.
a3
((UnitCell)self) → float :¶Returns the length of the direction of the unit cell. This is an alias for c()
.
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 for astar()
.
b2
((UnitCell)self) → float :¶Returns the length of the direction of the unit cell. This is an alias for bstar()
.
b3
((UnitCell)self) → float :¶Returns the length of the direction of the unit cell. This is an alias for cstar()
.
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 also alphastar()
.
beta2
((UnitCell)self) → float :¶Returns the angle of the unit cell in radians. See also betastar()
.
beta3
((UnitCell)self) → float :¶Returns the angle of the unit cell in radians. See also gammastar()
.
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 .
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 .
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 a numpy.ndarray
with shape (3,3)
.
getBinv
((UnitCell)self) → numpy.ndarray :¶Returns the inverse of the matrix for this unit cell.This will return a numpy.ndarray
with shape (3,3)
. See also getB()
.
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 a numpy.ndarray
with shape (3,3)
.
getModUB
((OrientedLattice)self) → numpy.ndarray :¶Returns the matrix for this oriented lattice. This will return a numpy.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 a numpy.ndarray
with shape (3,3)
.
getUB
((OrientedLattice)self) → numpy.ndarray :¶Returns the matrix for this oriented lattice. This will return a numpy.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 parameter Unit
controls the units for the angles, and can have the value of Degrees
or Radians
. 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 the Unit
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 the Unit
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 a numpy.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 a numpy.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 a numpy.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 a numpy.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 the Unit
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 the Unit
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 the Unit
parameter.
volume
((UnitCell)self) → float :¶Return the volume of the unit cell (in )