| | |
- builtins.object
-
- Bmatrix
- Bragg
- Calcms
- Dhkl
- Hklgen
- Interplanarangle
- Rotxyz
- Vfind
class Bmatrix(builtins.object) |
| |
Bmatrix(lattice)
Convert to Cartesian coordinate system. Returns the Bmatrix and the metric tensors in direct and reciprocal spaces
|
| |
Methods defined here:
- __init__(self, lattice)
- Initialize self. See help(type(self)) for accurate signature.
- bm(self)
- ibm(self)
- mt(self)
- rmt(self)
Data descriptors defined here:
- __dict__
- dictionary for instance variables (if defined)
- __weakref__
- list of weak references to the object (if defined)
|
class Bragg(builtins.object) |
| |
Bragg(lattice, hkl, energy)
|
| |
Methods defined here:
- __init__(self, lattice, hkl, energy)
- returns Bragg angle of a reflection
theta = Bragg(lattice,hkl,energy)
- th(self)
Data descriptors defined here:
- __dict__
- dictionary for instance variables (if defined)
- __weakref__
- list of weak references to the object (if defined)
|
class Calcms(builtins.object) |
| |
Calcms(lattice, hkl, hklint, hkl2, energy, azir, F=[], F2=[])
|
| |
Methods defined here:
- SF(self)
- SF2(self)
- __init__(self, lattice, hkl, hklint, hkl2, energy, azir, F=[], F2=[])
- Initialize self. See help(type(self)) for accurate signature.
- angs(self)
- Angles between ko and beam vectors
- bragg(self)
- bvects(self)
- returns secondary beam vectors
- bvects2(self)
- returns tertiary beam vectors
- ewpsi(self)
- full(self)
- returns hkl2,psi1,psi2,brag1,energ
- geometry(self)
- ko(self)
- kov(self)
- kv(self)
- orig(self)
- Returns reciprocal space origin.
- ov(self)
- returns original vector list.
- pol(self, polv)
- returns hkl2, sig, pi, pfactor
- pol1only(self, polv)
- pol2(self, polv)
- returns hkl3, sig, pi, pfactor
- pol2only(self, polv)
- polfull(self, polv)
- polfull2(self, polv)
- returns hkl2,psi1,psi2,brag1,energy, sig, pi, pfactor, pfactor*F
- ppsi(self)
- prlv(self)
- psi(self)
- psiplaneang(self)
- Angle required to rotate k1 about ko onto the secondary scattering plane
- psiplaneang2(self)
- Angle required to rotate k2 about k1 onto the tertiary scattering plane
- pv1xsf1(self, polv)
- pxf(self, polv)
- rhkangle(self)
- sfonly(self)
- th(self)
- trv(self)
- returns transformed and rotated vectors.
- trvt(self)
- returns transformed and rotated tertiary vectors.
- tv(self)
- tvp(self)
- tvt(self)
Data descriptors defined here:
- __dict__
- dictionary for instance variables (if defined)
- __weakref__
- list of weak references to the object (if defined)
|
class Dhkl(builtins.object) |
| |
Dhkl(lattice, hkl)
calculate d-spacing for reflection from reciprocal metric tensor
d = Dhkl(lattice,HKL)
lattice = [a b c alpha beta gamma] (angles in degrees)
HKL: list of hkl. size(HKL) = n x 3 or 3 x n
!!! if size(HKL) is 3 x 3, HKL must be in the form:
HKL = [h1 k1 l1 ; h2 k2 l2 ; h3 k3 l3]
|
| |
Methods defined here:
- __init__(self, lattice, hkl)
- Initialize self. See help(type(self)) for accurate signature.
- d(self)
Data descriptors defined here:
- __dict__
- dictionary for instance variables (if defined)
- __weakref__
- list of weak references to the object (if defined)
|
class Hklgen(builtins.object) |
| |
Hklgen(depth)
|
| |
Methods defined here:
- __init__(self, depth)
- Initialize self. See help(type(self)) for accurate signature.
- v(self)
Data descriptors defined here:
- __dict__
- dictionary for instance variables (if defined)
- __weakref__
- list of weak references to the object (if defined)
|
class Interplanarangle(builtins.object) |
| |
Interplanarangle(lattice, hkl1, hkl2)
|
| |
Methods defined here:
- __init__(self, lattice, hkl1, hkl2)
- calculates interplanar angles in degrees for reflections using the metric tensor
Example Interplanarangle(lattice,hkl,hkl2) where hkl and hkl2 must have the same column length
Interplanarangle([3,3,3,90,90,120],[[1,2,3],[1,2,3]],[[1,1,3],[1,2,3]])
- ang(self)
Data descriptors defined here:
- __dict__
- dictionary for instance variables (if defined)
- __weakref__
- list of weak references to the object (if defined)
|
class Rotxyz(builtins.object) |
| |
Rotxyz(u, angle)
Example p = Rotxyz(initial_vector, vectorrotateabout, angle)
|
| |
Methods defined here:
- __init__(self, u, angle)
- Initialize self. See help(type(self)) for accurate signature.
- rmat(self)
Data descriptors defined here:
- __dict__
- dictionary for instance variables (if defined)
- __weakref__
- list of weak references to the object (if defined)
|
class Vfind(builtins.object) |
| |
Vfind(vlist, v)
|
| |
Methods defined here:
- __init__(self, vlist, v)
- Initialize self. See help(type(self)) for accurate signature.
- vindex(self)
Data descriptors defined here:
- __dict__
- dictionary for instance variables (if defined)
- __weakref__
- list of weak references to the object (if defined)
| |