def discretefiber_reduced(params_in):
"""
input parameters are [hkl_id, com_ome, com_eta]
"""
bMat = paramMP['bMat']
chi = paramMP['chi']
csym = paramMP['csym']
fiber_ndiv = paramMP['fiber_ndiv']
hkl = params_in[:3].reshape(3, 1)
gVec_s = xfcapi.anglesToGVec(
np.atleast_2d(params_in[3:]),
chi=chi,
).T
tmp = mutil.uniqueVectors(
rot.discreteFiber(
hkl,
gVec_s,
B=bMat,
ndiv=fiber_ndiv,
invert=False,
csym=csym
)[0]
)
return tmp
def run_paintGrid(pd,
omeEta,
seed_hkl_ids,
threshold,
fiber_ndiv,
omeTol=None,
etaTol=None,
omeRange=None,
etaRange=None,
omePeriod=(-np.pi, np.pi),
qTol=1e-7,
doMultiProc=True,
nCPUs=multiprocessing.cpu_count(),
useGrid=None):
"""
wrapper for indexer.paintGrid
"""
del_ome = omeEta.omegas[1] - omeEta.omegas[0]
del_eta = omeEta.etas[1] - omeEta.etas[0]
# tolerances in degrees... I know, pathological
if omeTol is None:
omeTol = 360. / float(fiber_ndiv)
if etaTol is None:
etaTol = 360. / float(fiber_ndiv)
# must be consistent
pd_hkl_ids = omeEta.iHKLList[seed_hkl_ids]
tTh = pd.getTTh()
bMat = pd.latVecOps['B']
csym = pd.getLaueGroup()
qsym = pd.getQSym()
if useGrid is not None:
try:
print "loading quaternion grid file: %s" % (useGrid)
qfib = np.loadtxt(useGrid).T
except:
raise RuntimeError, "unable to load quaternion grid file"
else:
structureNDI_label = ndimage.generate_binary_structure(2, 2)
qfib = []
ii = 0
jj = fiber_ndiv
print "labeling maps..."
labels = []
numSpots = []
coms = []
for i in seed_hkl_ids:
labels_t, numSpots_t = ndimage.label(
omeEta.dataStore[i] > threshold, structureNDI_label)
coms_t = np.atleast_2d(
ndimage.center_of_mass(omeEta.dataStore[i],
labels=labels_t,
index=np.arange(1,
np.amax(labels_t) + 1)))
labels.append(labels_t)
numSpots.append(numSpots_t)
coms.append(coms_t)
pass
# second pass for generation
print "generating quaternions..."
qfib_tmp = np.empty((4, fiber_ndiv * sum(numSpots)))
for i in range(len(pd_hkl_ids)):
for ispot in range(numSpots[i]):
if not np.isnan(coms[i][ispot][0]):
ome_c = omeEta.omeEdges[0] + (0.5 +
coms[i][ispot][0]) * del_ome
eta_c = omeEta.etaEdges[0] + (0.5 +
coms[i][ispot][1]) * del_eta
gVec_s = xrdutil.makeMeasuredScatteringVectors(
tTh[pd_hkl_ids[i]], eta_c, ome_c)
qfib_tmp[:, ii:jj] = rot.discreteFiber(
pd.hkls[:, pd_hkl_ids[i]].reshape(3, 1),
gVec_s,
B=bMat,
ndiv=fiber_ndiv,
invert=False,
csym=csym)[0]
ii = jj
jj += fiber_ndiv
pass
pass
qfib.append(mutil.uniqueVectors(qfib_tmp))
pass
qfib = np.hstack(qfib)
print "Running paintGrid on %d orientations" % (qfib.shape[1])
complPG = idx.paintGrid(qfib,
omeEta,
omegaRange=omeRange,
etaRange=etaRange,
omeTol=d2r * omeTol,
etaTol=d2r * etaTol,
omePeriod=omePeriod,
threshold=threshold,
doMultiProc=doMultiProc,
nCPUs=nCPUs)
return complPG, qfib
def fiberSearch(spotsArray, hklList,
iPhase=0,
nsteps=120,
minCompleteness=0.60,
minPctClaimed=0.95,
preserveClaims=False,
friedelOnly=True,
dspTol=None,
etaTol=0.025,
omeTol=0.025,
etaTolF=0.00225,
omeTolF=0.00875,
nStdDev=2,
quitAfter=None,
doRefinement=True,
debug=True,
doMultiProc=True,
nCPUs=None,
outputGrainList=False
):
"""
This indexer finds grains by performing 1-d searches along the fibers under the
valid spots associated with each reflection order specified in hklList. The set
of spots used to generate the candidate orientations may be restricted to Friedel
pairs only.
hklList *must* have length > 0;
Dach hkl entry in hklList *must* be a tuple, not a list
the output is a concatenated list of orientation matrices ((n, 3, 3) numpy.ndarray).
"""
assert hasattr(hklList, '__len__'), "the HKL list must have length, and len(hklList) > 0."
nHKLs = len(hklList)
grainList = []
nGrains = 0
planeData = spotsArray.getPlaneData(iPhase)
csym = planeData.getLaueGroup()
bMat = planeData.latVecOps['B']
if dspTol is None:
dspTol = planeData.strainMag
centroSymRefl = planeData.getCentroSymHKLs()
candidate = Grain(spotsArray, rMat=None,
etaTol=etaTol, omeTol=omeTol)
multiProcMode = xrdbase.haveMultiProc and doMultiProc
#
global foundFlagShared
global multiProcMode_MP
global spotsArray_MP
global candidate_MP
global dspTol_MP
global minCompleteness_MP
global doRefinement_MP
global nStdDev_MP
multiProcMode_MP = multiProcMode
spotsArray_MP = spotsArray
candidate_MP = candidate
dspTol_MP = dspTol
minCompleteness_MP = minCompleteness
doRefinement_MP = doRefinement
nStdDev_MP = nStdDev
"""
set up for shared memory multiprocessing
"""
if multiProcMode:
nCPUs = nCPUs or xrdbase.dfltNCPU
spotsArray.multiprocMode = True
pool = multiprocessing.Pool(nCPUs)
"""
HKL ITERATOR
"""
if isinstance(quitAfter, dict):
n_hkls_to_search = quitAfter['nHKLs']
else:
n_hkls_to_search = nHKLs
if isinstance(quitAfter, int):
quit_after_ngrains = quitAfter
else:
quit_after_ngrains = 0
numTotal = len(spotsArray)
pctClaimed = 0.
time_to_quit = False
tic = time.time()
for iHKL in range(n_hkls_to_search):
print "\n#####################\nProcessing hkl %d of %d\n" % (iHKL+1, nHKLs)
thisHKLID = planeData.getHKLID(hklList[iHKL])
thisRingSpots0 = spotsArray.getHKLSpots(thisHKLID)
thisRingSpots0W = num.where(thisRingSpots0)[0]
unclaimedOfThese = -spotsArray.checkClaims(indices=thisRingSpots0W)
thisRingSpots = copy.deepcopy(thisRingSpots0)
thisRingSpots[thisRingSpots0W] = unclaimedOfThese
if friedelOnly:
# first, find Friedel Pairs
spotsArray.findFriedelPairsHKL(hklList[iHKL],
etaTol=etaTolF,
omeTol=omeTolF)
spotsIteratorI = spotsArray.getIterHKL(hklList[iHKL], unclaimedOnly=True, friedelOnly=True)
# make some stuff for counters
maxSpots = 0.5*(sum(thisRingSpots) - sum(spotsArray.friedelPair[thisRingSpots] == -1))
else:
spotsIteratorI = spotsArray.getIterHKL(hklList[iHKL], unclaimedOnly=True, friedelOnly=False)
maxSpots = sum(thisRingSpots)
"""
SPOT ITERATOR
- this is where we iterate over all 'valid' spots for the current HKL as
subject to the conditions of claims and ID as a friedel pair (when requested)
"""
for iRefl, stuff in enumerate(spotsIteratorI):
unclaimedOfThese = -spotsArray.checkClaims(indices=thisRingSpots0W)
thisRingSpots = copy.deepcopy(thisRingSpots0)
thisRingSpots[thisRingSpots0W] = unclaimedOfThese
if friedelOnly:
iSpot, jSpot, angs_I, angs_J = stuff
Gplus = makeMeasuredScatteringVectors(*angs_I)
Gminus = makeMeasuredScatteringVectors(*angs_J)
Gvec = 0.5*(Gplus - Gminus)
maxSpots = 0.5*(sum(thisRingSpots) - sum(spotsArray.friedelPair[thisRingSpots] == -1))
else:
iSpot, angs_I = stuff
Gvec = makeMeasuredScatteringVectors(*angs_I)
maxSpots = sum(thisRingSpots)
print "\nProcessing reflection %d (spot %d), %d remain unclaimed\n" % (iRefl+1, iSpot, maxSpots)
if multiProcMode and debugMultiproc > 1:
marks = spotsArray._Spots__marks[:]
print 'marks : '+str(marks)
# make the fiber;
qfib = discreteFiber(hklList[iHKL], Gvec,
B=bMat,
ndiv=nsteps,
invert=False,
csym=csym, ssym=None)[0]
# if +/- hkl aren't in the symmetry group, need '-' fiber
if not centroSymRefl[thisHKLID]:
minusHKL = -num.r_[hklList[iHKL]]
qfibM = discreteFiber(minusHKL, Gvec,
B=bMat,
ndiv=nsteps,
invert=False,
csym=csym, ssym=None)[0]
qfib = num.hstack([qfib, qfibM])
pass
# cull out duplicate orientations
qfib = mUtil.uniqueVectors(qfib, tol=1e-4)
numTrials = qfib.shape[1]
"""
THIS IS THE BIGGIE; THE LOOP OVER THE DISCRETE ORIENTATIONS IN THE CURRENT FIBER
"""
if multiProcMode:
foundFlagShared.value = False
qfibList = map(num.array, qfib.T.tolist())
#if debugMultiproc:
# print 'qfibList : '+str(qfibList)
results = num.array(pool.map(testThisQ, qfibList, chunksize=1))
trialGrains = results[num.where(num.array(results, dtype=bool))]
# for trialGrain in trialGrains:
# trialGrain.restore(candidate)
else:
trialGrains = []
for iR in range(numTrials):
foundGrainData = testThisQ(qfib[:, iR])
if foundGrainData is not None:
trialGrains.append(foundGrainData)
break
'end of if multiProcMode'
if len(trialGrains) == 0:
print "No grain found containing spot %d\n" % (iSpot)
# import pdb;pdb.set_trace()
else:
asMaster = multiProcMode
'sort based on completeness'
trialGrainCompletenesses = [tgd['completeness'] for tgd in trialGrains]
order = num.argsort(trialGrainCompletenesses)[-1::-1]
for iTrialGrain in order:
foundGrainData = trialGrains[iTrialGrain]
foundGrain = Grain(spotsArray, grainData=foundGrainData, claimingSpots=False)
'check completeness before accepting, especially important for multiproc'
foundGrain.checkClaims() # updates completeness
if debugMultiproc:
print 'final completeness of candidate is %g' % (foundGrain.completeness)
if foundGrain.completeness >= minCompleteness:
conflicts = foundGrain.claimSpots(asMaster=asMaster)
numConfl = num.sum(conflicts)
if numConfl > 0:
'tried to claim %d spots that are already claimed' % (numConfl)
grainList.append(foundGrain)
nGrains += 1
numUnClaimed = num.sum(-spotsArray.checkClaims())
numClaimed = numTotal - numUnClaimed
pctClaimed = num.float(numClaimed) / numTotal
print "Found %d grains so far, %f%% claimed" % (nGrains,100*pctClaimed)
time_to_quit = (pctClaimed > minPctClaimed) or\
((quit_after_ngrains > 0) and (nGrains >= quit_after_ngrains))
if time_to_quit:
break
'end of iRefl loop'
if time_to_quit:
break
'end of iHKL loop'
rMats = num.empty((len(grainList), 3, 3))
for i in range(len(grainList)):
rMats[i, :, :] = grainList[i].rMat
if outputGrainList:
retval = (rMats, grainList)
else:
retval = rMats
if not preserveClaims:
spotsArray.resetClaims()
toc = time.time()
print 'fiberSearch execution took %g seconds' % (toc-tic)
if multiProcMode:
pool.close()
spotsArray.multiprocMode = False
foundFlagShared.value = False
# global foundFlagShared
# global multiProcMode_MP
# global spotsArray_MP
# global candidate_MP
# global dspTol_MP
# global minCompleteness_MP
# global doRefinement_MP
multiProcMode_MP = None
spotsArray_MP = None
candidate_MP = None
dspTol_MP = None
minCompleteness_MP = None
doRefinement_MP = None
return retval
def fiberSearch(spotsArray,
hklList,
iPhase=0,
nsteps=120,
minCompleteness=0.60,
minPctClaimed=0.95,
preserveClaims=False,
friedelOnly=True,
dspTol=None,
etaTol=0.025,
omeTol=0.025,
etaTolF=0.00225,
omeTolF=0.00875,
nStdDev=2,
quitAfter=None,
doRefinement=True,
debug=True,
doMultiProc=True,
nCPUs=None,
outputGrainList=False):
"""
This indexer finds grains by performing 1-d searches along the fibers under the
valid spots associated with each reflection order specified in hklList. The set
of spots used to generate the candidate orientations may be restricted to Friedel
pairs only.
hklList *must* have length > 0;
Dach hkl entry in hklList *must* be a tuple, not a list
the output is a concatenated list of orientation matrices ((n, 3, 3) numpy.ndarray).
"""
assert hasattr(
hklList,
'__len__'), "the HKL list must have length, and len(hklList) > 0."
nHKLs = len(hklList)
grainList = []
nGrains = 0
planeData = spotsArray.getPlaneData(iPhase)
csym = planeData.getLaueGroup()
bMat = planeData.latVecOps['B']
if dspTol is None:
dspTol = planeData.strainMag
centroSymRefl = planeData.getCentroSymHKLs()
candidate = Grain(spotsArray, rMat=None, etaTol=etaTol, omeTol=omeTol)
multiProcMode = xrdbase.haveMultiProc and doMultiProc
#
global foundFlagShared
global multiProcMode_MP
global spotsArray_MP
global candidate_MP
global dspTol_MP
global minCompleteness_MP
global doRefinement_MP
global nStdDev_MP
multiProcMode_MP = multiProcMode
spotsArray_MP = spotsArray
candidate_MP = candidate
dspTol_MP = dspTol
minCompleteness_MP = minCompleteness
doRefinement_MP = doRefinement
nStdDev_MP = nStdDev
"""
set up for shared memory multiprocessing
"""
if multiProcMode:
nCPUs = nCPUs or xrdbase.dfltNCPU
spotsArray.multiprocMode = True
pool = multiprocessing.Pool(nCPUs)
"""
HKL ITERATOR
"""
if isinstance(quitAfter, dict):
n_hkls_to_search = quitAfter['nHKLs']
else:
n_hkls_to_search = nHKLs
if isinstance(quitAfter, int):
quit_after_ngrains = quitAfter
else:
quit_after_ngrains = 0
numTotal = len(spotsArray)
pctClaimed = 0.
time_to_quit = False
tic = time.time()
for iHKL in range(n_hkls_to_search):
print "\n#####################\nProcessing hkl %d of %d\n" % (iHKL + 1,
nHKLs)
thisHKLID = planeData.getHKLID(hklList[iHKL])
thisRingSpots0 = spotsArray.getHKLSpots(thisHKLID)
thisRingSpots0W = num.where(thisRingSpots0)[0]
unclaimedOfThese = -spotsArray.checkClaims(indices=thisRingSpots0W)
thisRingSpots = copy.deepcopy(thisRingSpots0)
thisRingSpots[thisRingSpots0W] = unclaimedOfThese
if friedelOnly:
# first, find Friedel Pairs
spotsArray.findFriedelPairsHKL(hklList[iHKL],
etaTol=etaTolF,
omeTol=omeTolF)
spotsIteratorI = spotsArray.getIterHKL(hklList[iHKL],
unclaimedOnly=True,
friedelOnly=True)
# make some stuff for counters
maxSpots = 0.5 * (sum(thisRingSpots) -
sum(spotsArray.friedelPair[thisRingSpots] == -1))
else:
spotsIteratorI = spotsArray.getIterHKL(hklList[iHKL],
unclaimedOnly=True,
friedelOnly=False)
maxSpots = sum(thisRingSpots)
"""
SPOT ITERATOR
- this is where we iterate over all 'valid' spots for the current HKL as
subject to the conditions of claims and ID as a friedel pair (when requested)
"""
for iRefl, stuff in enumerate(spotsIteratorI):
unclaimedOfThese = -spotsArray.checkClaims(indices=thisRingSpots0W)
thisRingSpots = copy.deepcopy(thisRingSpots0)
thisRingSpots[thisRingSpots0W] = unclaimedOfThese
if friedelOnly:
iSpot, jSpot, angs_I, angs_J = stuff
Gplus = makeMeasuredScatteringVectors(*angs_I)
Gminus = makeMeasuredScatteringVectors(*angs_J)
Gvec = 0.5 * (Gplus - Gminus)
maxSpots = 0.5 * (sum(thisRingSpots) - sum(
spotsArray.friedelPair[thisRingSpots] == -1))
else:
iSpot, angs_I = stuff
Gvec = makeMeasuredScatteringVectors(*angs_I)
maxSpots = sum(thisRingSpots)
print "\nProcessing reflection %d (spot %d), %d remain unclaimed\n" % (
iRefl + 1, iSpot, maxSpots)
if multiProcMode and debugMultiproc > 1:
marks = spotsArray._Spots__marks[:]
print 'marks : ' + str(marks)
# make the fiber;
qfib = discreteFiber(hklList[iHKL],
Gvec,
B=bMat,
ndiv=nsteps,
invert=False,
csym=csym,
ssym=None)[0]
# if +/- hkl aren't in the symmetry group, need '-' fiber
if not centroSymRefl[thisHKLID]:
minusHKL = -num.r_[hklList[iHKL]]
qfibM = discreteFiber(minusHKL,
Gvec,
B=bMat,
ndiv=nsteps,
invert=False,
csym=csym,
ssym=None)[0]
qfib = num.hstack([qfib, qfibM])
pass
# cull out duplicate orientations
qfib = mUtil.uniqueVectors(qfib, tol=1e-4)
numTrials = qfib.shape[1]
"""
THIS IS THE BIGGIE; THE LOOP OVER THE DISCRETE ORIENTATIONS IN THE CURRENT FIBER
"""
if multiProcMode:
foundFlagShared.value = False
qfibList = map(num.array, qfib.T.tolist())
#if debugMultiproc:
# print 'qfibList : '+str(qfibList)
results = num.array(pool.map(testThisQ, qfibList, chunksize=1))
trialGrains = results[num.where(num.array(results,
dtype=bool))]
# for trialGrain in trialGrains:
# trialGrain.restore(candidate)
else:
trialGrains = []
for iR in range(numTrials):
foundGrainData = testThisQ(qfib[:, iR])
if foundGrainData is not None:
trialGrains.append(foundGrainData)
break
'end of if multiProcMode'
if len(trialGrains) == 0:
print "No grain found containing spot %d\n" % (iSpot)
# import pdb;pdb.set_trace()
else:
asMaster = multiProcMode
'sort based on completeness'
trialGrainCompletenesses = [
tgd['completeness'] for tgd in trialGrains
]
order = num.argsort(trialGrainCompletenesses)[-1::-1]
for iTrialGrain in order:
foundGrainData = trialGrains[iTrialGrain]
foundGrain = Grain(spotsArray,
grainData=foundGrainData,
claimingSpots=False)
'check completeness before accepting, especially important for multiproc'
foundGrain.checkClaims() # updates completeness
if debugMultiproc:
print 'final completeness of candidate is %g' % (
foundGrain.completeness)
if foundGrain.completeness >= minCompleteness:
conflicts = foundGrain.claimSpots(asMaster=asMaster)
numConfl = num.sum(conflicts)
if numConfl > 0:
'tried to claim %d spots that are already claimed' % (
numConfl)
grainList.append(foundGrain)
nGrains += 1
numUnClaimed = num.sum(-spotsArray.checkClaims())
numClaimed = numTotal - numUnClaimed
pctClaimed = num.float(numClaimed) / numTotal
print "Found %d grains so far, %f%% claimed" % (nGrains, 100 *
pctClaimed)
time_to_quit = (pctClaimed > minPctClaimed) or\
((quit_after_ngrains > 0) and (nGrains >= quit_after_ngrains))
if time_to_quit:
break
'end of iRefl loop'
if time_to_quit:
break
'end of iHKL loop'
rMats = num.empty((len(grainList), 3, 3))
for i in range(len(grainList)):
rMats[i, :, :] = grainList[i].rMat
if outputGrainList:
retval = (rMats, grainList)
else:
retval = rMats
if not preserveClaims:
spotsArray.resetClaims()
toc = time.time()
print 'fiberSearch execution took %g seconds' % (toc - tic)
if multiProcMode:
pool.close()
spotsArray.multiprocMode = False
foundFlagShared.value = False
# global foundFlagShared
# global multiProcMode_MP
# global spotsArray_MP
# global candidate_MP
# global dspTol_MP
# global minCompleteness_MP
# global doRefinement_MP
multiProcMode_MP = None
spotsArray_MP = None
candidate_MP = None
dspTol_MP = None
minCompleteness_MP = None
doRefinement_MP = None
return retval
def generate_orientation_fibers(eta_ome, chi, threshold, seed_hkl_ids, fiber_ndiv, filt_stdev=0.8):
"""
From ome-eta maps and hklid spec, generate list of
quaternions from fibers
"""
# seed_hkl_ids must be consistent with this...
pd_hkl_ids = eta_ome.iHKLList[seed_hkl_ids]
# grab angular grid infor from maps
del_ome = eta_ome.omegas[1] - eta_ome.omegas[0]
del_eta = eta_ome.etas[1] - eta_ome.etas[0]
# labeling mask
structureNDI_label = ndimage.generate_binary_structure(2, 1)
# crystallography data from the pd object
pd = eta_ome.planeData
tTh = pd.getTTh()
bMat = pd.latVecOps['B']
csym = pd.getLaueGroup()
############################################
## Labeling of spots from seed hkls ##
############################################
qfib = []
labels = []
numSpots = []
coms = []
for i in seed_hkl_ids:
# First apply filter
this_map_f = -ndimage.filters.gaussian_laplace(eta_ome.dataStore[i], filt_stdev)
labels_t, numSpots_t = ndimage.label(
this_map_f > threshold,
structureNDI_label
)
coms_t = np.atleast_2d(
ndimage.center_of_mass(
this_map_f,
labels=labels_t,
index=np.arange(1, np.amax(labels_t)+1)
)
)
labels.append(labels_t)
numSpots.append(numSpots_t)
coms.append(coms_t)
pass
############################################
## Generate discrete fibers from labels ##
############################################
for i in range(len(pd_hkl_ids)):
ii = 0
qfib_tmp = np.empty((4, fiber_ndiv*numSpots[i]))
for ispot in range(numSpots[i]):
if not np.isnan(coms[i][ispot][0]):
ome_c = eta_ome.omeEdges[0] \
+ (0.5 + coms[i][ispot][0])*del_ome
eta_c = eta_ome.etaEdges[0] \
+ (0.5 + coms[i][ispot][1])*del_eta
#gVec_s = xrdutil.makeMeasuredScatteringVectors(
# tTh[pd_hkl_ids[i]], eta_c, ome_c
# )
gVec_s = xfcapi.anglesToGVec(
np.atleast_2d(
[tTh[pd_hkl_ids[i]], eta_c, ome_c]
),
chi=chi
).T
tmp = mutil.uniqueVectors(
rot.discreteFiber(
pd.hkls[:, pd_hkl_ids[i]].reshape(3, 1),
gVec_s,
B=bMat,
ndiv=fiber_ndiv,
invert=False,
csym=csym
)[0]
)
jj = ii + tmp.shape[1]
qfib_tmp[:, ii:jj] = tmp
ii += tmp.shape[1]
pass
pass
qfib.append(qfib_tmp[:, :ii])
pass
return np.hstack(qfib)
def run_paintGrid(pd, omeEta, seed_hkl_ids, threshold, fiber_ndiv,
omeTol=None, etaTol=None,
omeRange=None, etaRange=None,
omePeriod=(-np.pi, np.pi),
qTol=1e-7,
doMultiProc=True, nCPUs=multiprocessing.cpu_count(),
useGrid=None):
"""
wrapper for indexer.paintGrid
"""
del_ome = omeEta.omegas[1] - omeEta.omegas[0]
del_eta = omeEta.etas[1] - omeEta.etas[0]
# tolerances in degrees... I know, pathological
if omeTol is None:
omeTol = 360. / float(fiber_ndiv)
if etaTol is None:
etaTol = 360. / float(fiber_ndiv)
# must be consistent
pd_hkl_ids = omeEta.iHKLList[seed_hkl_ids]
tTh = pd.getTTh()
bMat = pd.latVecOps['B']
csym = pd.getLaueGroup()
qsym = pd.getQSym()
if useGrid is not None:
try:
print "loading quaternion grid file: %s" % (useGrid)
qfib = np.loadtxt(useGrid).T
except:
raise RuntimeError, "unable to load quaternion grid file"
else:
structureNDI_label = ndimage.generate_binary_structure(2, 2)
qfib = []
ii = 0
jj = fiber_ndiv
print "labeling maps..."
labels = []
numSpots = []
coms = []
for i in seed_hkl_ids:
labels_t, numSpots_t = ndimage.label(omeEta.dataStore[i] > threshold, structureNDI_label)
coms_t = np.atleast_2d(ndimage.center_of_mass(omeEta.dataStore[i],
labels=labels_t,
index=np.arange(1, np.amax(labels_t)+1)))
labels.append(labels_t)
numSpots.append(numSpots_t)
coms.append(coms_t)
pass
# second pass for generation
print "generating quaternions..."
qfib_tmp = np.empty((4, fiber_ndiv*sum(numSpots)))
for i in range(len(pd_hkl_ids)):
for ispot in range(numSpots[i]):
if not np.isnan(coms[i][ispot][0]):
ome_c = omeEta.omeEdges[0] + (0.5 + coms[i][ispot][0])*del_ome
eta_c = omeEta.etaEdges[0] + (0.5 + coms[i][ispot][1])*del_eta
gVec_s = xrdutil.makeMeasuredScatteringVectors(tTh[pd_hkl_ids[i]], eta_c, ome_c)
qfib_tmp[:, ii:jj] = rot.discreteFiber(pd.hkls[:, pd_hkl_ids[i]].reshape(3, 1),
gVec_s, B=bMat, ndiv=fiber_ndiv,
invert=False, csym=csym)[0]
ii = jj
jj += fiber_ndiv
pass
pass
qfib.append(mutil.uniqueVectors(qfib_tmp))
pass
qfib = np.hstack(qfib)
print "Running paintGrid on %d orientations" % (qfib.shape[1])
complPG = idx.paintGrid(qfib,
omeEta,
omegaRange=omeRange, etaRange=etaRange,
omeTol=d2r*omeTol, etaTol=d2r*etaTol,
omePeriod=omePeriod, threshold=threshold,
doMultiProc=doMultiProc,
nCPUs=nCPUs)
return complPG, qfib
def generate_orientation_fibers(eta_ome, threshold, seed_hkl_ids, fiber_ndiv):
""" From ome-eta maps and hklid spec, generate list of
quaternions from fibers
** passing of BOTH pd and eta_ome object is redundant; flag for fix!
"""
# seed_hkl_ids must be consistent with this...
pd_hkl_ids = eta_ome.iHKLList[seed_hkl_ids]
# grab angular grid infor from maps
del_ome = eta_ome.omegas[1] - eta_ome.omegas[0]
del_eta = eta_ome.etas[1] - eta_ome.etas[0]
# labeling mask
structureNDI_label = ndimage.generate_binary_structure(2, 2)
# crystallography data from the pd object
pd = eta_ome.planeData
tTh = pd.getTTh()
bMat = pd.latVecOps['B']
csym = pd.getLaueGroup()
qsym = pd.getQSym()
############################################
## Labeling of spots from seed hkls ##
############################################
ii = 0
jj = fiber_ndiv
qfib = []
labels = []
numSpots = []
coms = []
for i in seed_hkl_ids:
labels_t, numSpots_t = ndimage.label(
eta_ome.dataStore[i] > threshold,
structureNDI_label
)
coms_t = np.atleast_2d(
ndimage.center_of_mass(
eta_ome.dataStore[i],
labels=labels_t,
index=np.arange(1, np.amax(labels_t)+1)
)
)
labels.append(labels_t)
numSpots.append(numSpots_t)
coms.append(coms_t)
pass
############################################
## Generate discrete fibers from labels ##
############################################
qfib_tmp = np.empty((4, fiber_ndiv*sum(numSpots)))
for i in range(len(pd_hkl_ids)):
for ispot in range(numSpots[i]):
if not np.isnan(coms[i][ispot][0]):
ome_c = eta_ome.omeEdges[0] \
+ (0.5 + coms[i][ispot][0])*del_ome
eta_c = eta_ome.etaEdges[0] \
+ (0.5 + coms[i][ispot][1])*del_eta
gVec_s = xrdutil.makeMeasuredScatteringVectors(
tTh[pd_hkl_ids[i]], eta_c, ome_c
)
qfib_tmp[:, ii:jj] = rot.discreteFiber(
pd.hkls[:, pd_hkl_ids[i]].reshape(3, 1),
gVec_s,
B=bMat,
ndiv=fiber_ndiv,
invert=False,
csym=csym
)[0]
ii = jj
jj += fiber_ndiv
pass
pass
qfib.append(mutil.uniqueVectors(qfib_tmp))
pass
return np.hstack(qfib)
def generate_orientation_fibers(eta_ome, threshold, seed_hkl_ids, fiber_ndiv):
""" From ome-eta maps and hklid spec, generate list of
quaternions from fibers
** passing of BOTH pd and eta_ome object is redundant; flag for fix!
"""
# seed_hkl_ids must be consistent with this...
pd_hkl_ids = eta_ome.iHKLList[seed_hkl_ids]
# grab angular grid infor from maps
del_ome = eta_ome.omegas[1] - eta_ome.omegas[0]
del_eta = eta_ome.etas[1] - eta_ome.etas[0]
# labeling mask
structureNDI_label = ndimage.generate_binary_structure(2, 2)
# crystallography data from the pd object
pd = eta_ome.planeData
tTh = pd.getTTh()
bMat = pd.latVecOps['B']
csym = pd.getLaueGroup()
qsym = pd.getQSym()
############################################
## Labeling of spots from seed hkls ##
############################################
qfib = []
labels = []
numSpots = []
coms = []
for i in seed_hkl_ids:
labels_t, numSpots_t = ndimage.label(eta_ome.dataStore[i] > threshold,
structureNDI_label)
coms_t = np.atleast_2d(
ndimage.center_of_mass(eta_ome.dataStore[i],
labels=labels_t,
index=np.arange(1,
np.amax(labels_t) + 1)))
labels.append(labels_t)
numSpots.append(numSpots_t)
coms.append(coms_t)
pass
############################################
## Generate discrete fibers from labels ##
############################################
for i in range(len(pd_hkl_ids)):
ii = 0
qfib_tmp = np.empty((4, fiber_ndiv * numSpots[i]))
for ispot in range(numSpots[i]):
if not np.isnan(coms[i][ispot][0]):
ome_c = eta_ome.omeEdges[0] \
+ (0.5 + coms[i][ispot][0])*del_ome
eta_c = eta_ome.etaEdges[0] \
+ (0.5 + coms[i][ispot][1])*del_eta
gVec_s = xrdutil.makeMeasuredScatteringVectors(
tTh[pd_hkl_ids[i]], eta_c, ome_c)
tmp = mutil.uniqueVectors(
rot.discreteFiber(pd.hkls[:, pd_hkl_ids[i]].reshape(3, 1),
gVec_s,
B=bMat,
ndiv=fiber_ndiv,
invert=False,
csym=csym)[0])
jj = ii + tmp.shape[1]
qfib_tmp[:, ii:jj] = tmp
ii += tmp.shape[1]
pass
pass
qfib.append(qfib_tmp[:, :ii])
pass
return np.hstack(qfib)