def __init__(self, latVec, recipVec):
self.latVec = mU.normalized(latVec)
self.recipVec = mU.normalized(recipVec)
self.qBase = q1 = Quat(RotInv('align',
self.latVec,
self.recipVec)
)
e1 = q1.q
rFiber = RotInv(0.5, self.recipVec) # 0.5 is a very arbitary distance along the fiber
q2 = Quat(rFiber)
q12 = (q2*q1).q
e2 = mU.normalized(q12 - num.dot(q12,e1) * e1)
#
self.e1 = e1
self.e2 = e2
return
def rotMatrixFromCrystalVectors(cvs1=None, cvs2=None, cvs3=None):
"""\
Make a rotation matrix in the RotationParameterization convention
from components of crystal vectors that are along given sample directions
"""
mat = zeros([3,3], dtype='float64')
if cvs1 == None:
if ((cvs2 == None) or (cvs3 == None)):
print >> sys.stderr, "need more inputs"
raise RuntimeError, "unrecoverable error"
cvs1 = cross(cvs2,cvs3)
cvs1 = normalized(cvs1)
if cvs2 == None:
if ((cvs1 == None) or (cvs3 == None)):
print >> sys.stderr, "need more inputs"
raise RuntimeError, "unrecoverable error"
cvs2 = cross(cvs1,cvs3)
cvs2 = normalized(cvs2)
if cvs3 == None:
if ((cvs1 == None) or (cvs2 == None)):
print >> sys.stderr, "need more inputs"
raise RuntimeError, "unrecoverable error"
cvs3 = cross(cvs1,cvs2)
cvs3 = normalized(cvs3)
mat[0,:] = cvs1[:]
mat[1,:] = cvs2[:]
mat[2,:] = cvs3[:]
det = determinant3(mat)
if (abs(det-1.0) < 1e-12):
return mat
elif (abs(det+1.0) < 1e-12):
mat = -mat
return mat
else:
print >> sys.stderr, "vectors not close enough to orthonormal"
raise RuntimeError, "unrecoverable error"
