def distanceToFiber(c, s, q, qsym, **kwargs):
"""
"""
csymFlag = False
B = I3
arglen = len(kwargs)
if len(c) != 3 or len(s) != 3:
raise RuntimeError('c and/or s are not 3-vectors')
# argument handling
if arglen > 0:
argkeys = list(kwargs.keys())
for i in range(arglen):
if argkeys[i] == 'centrosymmetry':
csymFlag = kwargs[argkeys[i]]
elif argkeys[i] == 'bmatrix':
B = kwargs[argkeys[i]]
else:
raise RuntimeError("keyword arg \'%s\' is not recognized"
% (argkeys[i]))
c = unitVector(dot(B, asarray(c)))
s = unitVector(asarray(s).reshape(3, 1))
nq = q.shape[1] # number of quaternions
rmats = rotMatOfQuat(q) # (nq, 3, 3)
csym = applySym(c, qsym, csymFlag) # (3, m)
m = csym.shape[1] # multiplicity
if nq == 1:
rc = dot(rmats, csym) # apply q's to c's
sdotrc = dot(s.T, rc).max()
else:
rc = multMatArray(
rmats, tile(csym, (nq, 1, 1))
) # apply q's to c's
sdotrc = dot(
s.T,
rc.swapaxes(1, 2).reshape(nq*m, 3).T
).reshape(nq, m).max(1)
d = arccosSafe(array(sdotrc))
return d
def applySym(vec, qsym, csFlag=False, cullPM=False, tol=1e-8):
"""
apply symmetry group to a single 3-vector (columnar) argument
csFlag : centrosymmetry flag
cullPM : cull +/- flag
"""
nsym = qsym.shape[1]
Rsym = rotMatOfQuat(qsym)
allhkl = multMatArray(Rsym, tile(vec, (nsym, 1, 1))).swapaxes(1, 2).reshape(nsym, 3).T
if csFlag:
allhkl = hstack([allhkl, -1*allhkl])
eqv, uid = findDuplicateVectors(allhkl, tol=tol, equivPM=cullPM)
return allhkl[ix_(range(3), uid)]
def distanceToFiber(c, s, q, qsym, **kwargs):
"""
"""
csymFlag = False
B = I3
arglen = len(kwargs)
if len(c) != 3 or len(s) != 3:
raise RuntimeError, 'c and/or s are not 3-vectors'
# argument handling
if arglen > 0:
argkeys = kwargs.keys()
for i in range(arglen):
if argkeys[i] == 'centrosymmetry':
csymFlag = kwargs[argkeys[i]]
elif argkeys[i] == 'bmatrix':
B = kwargs[argkeys[i]]
else:
raise RuntimeError('keyword arg \'%s\' is not recognized' \
% (argkeys[i]))
c = unitVector( dot(B, asarray(c)) )
s = unitVector( asarray(s).reshape(3, 1) )
nq = q.shape[1] # number of quaternions
rmats = rotMatOfQuat(q) # (nq, 3, 3)
csym = applySym(c, qsym, csymFlag) # (3, m)
m = csym.shape[1] # multiplicity
if nq == 1:
rc = dot(rmats, csym) # apply q's to c's
sdotrc = dot( s.T, rc ).max()
else:
rc = multMatArray( rmats, tile(csym, (nq, 1, 1)) ) # apply q's to c's
sdotrc = dot( s.T, rc.swapaxes(1, 2).reshape(nq*m, 3).T ).reshape(nq, m).max(1)
d = arccosSafe( array(sdotrc) )
return d
