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Methods defined here:
- __init__(self, lattice_parameters, symmetry='P', verbose=0)
- Unit cell class
supply a list (tuple etc) of a,b,c,alpha,beta,gamma
optionally a symmetry, one of "P","A","B","C","I","F","R"
- anglehkls(self, h1, h2)
- Compute the angle between reciprocal lattice vectors h1, h2
- ds(self, h)
- computes 1/d for this hkl = hgh
- getanglehkls(self, ring1, ring2)
- Cache the last pair called for
- gethkls(self, dsmax)
- Generate hkl list
Argument dsmax is the d* limit (eg 1/d)
Default of zero gives only the (000) reflection
assumes [h|k|l] < 200
- makerings(self, limit, tol=0.001)
- Makes a list of computed powder rings
The tolerance is the difference in d* to decide
if two peaks overlap
- orient(self, ring1, g1, ring2, g2, verbose=0)
- Compute an orientation matrix using cell parameters and the indexing
of two reflections
Orientation matrix:
A matrix such that h = A^1 g
define 3 vectors t1,t2,t3
t1 is parallel to first peak (unit vector along g1)
t2 is in the plane of both (unit vector along g1x(g1xg2))
t3 is perpendicular to both (unit vector along g1xg2)
- tostring(self)
- Write out a line containing unit cell information
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