def make_old_detector_parfile(
results, det_origin=(204.8, 204.8), filename=None
):
tiltAngles = np.array(results['tiltAngles'])
rMat_d = makeDetectorRotMat(tiltAngles)
tVec_d = results['tVec_d'] - results['tVec_s']
beamXYD = old_detector_params_from_new(
np.hstack([tiltAngles.flatten(), tVec_d.flatten()]), det_origin
)
det_plist = np.zeros(12)
det_plist[:3] = beamXYD.flatten()
det_plist[3:6] = tiltAngles
det_plist[6:] = results['dParams']
if filename is not None:
if isinstance(filename, file):
fid = filename
elif isinstance(filename, str) or isinstance(filename, unicode):
fid = open(filename, 'w')
print >> fid, "# DETECTOR PARAMETERS (from new geometry model fit)"
print >> fid, "# \n# <class 'hexrd.xrd.detector.DetectorGeomGE'>\n#"
for i in range(len(det_plist)):
print >> fid, "%1.8e\t%d" % (det_plist[i], 0)
fid.close()
return det_plist
def objFuncSX(pFit, pFull, pFlag, dFunc, dFlag,
xyo_det, hkls_idx, bMat, vInv, wavelength,
bVec, eVec, omePeriod,
simOnly=False, returnScalarValue=returnScalarValue):
"""
"""
npts = len(xyo_det)
refineFlag = np.hstack([pFlag, dFlag])
# pFull[refineFlag] = pFit/scl[refineFlag]
pFull[refineFlag] = pFit
dParams = pFull[-len(dFlag):]
xy_unwarped = dFunc(xyo_det[:, :2], dParams)
# detector quantities
rMat_d = xf.makeDetectorRotMat(pFull[:3])
tVec_d = pFull[3:6].reshape(3, 1)
# sample quantities
chi = pFull[6]
tVec_s = pFull[7:10].reshape(3, 1)
# crystal quantities
rMat_c = xf.makeRotMatOfExpMap(pFull[10:13])
tVec_c = pFull[13:16].reshape(3, 1)
gVec_c = np.dot(bMat, hkls_idx)
vMat_s = mutil.vecMVToSymm(vInv) # stretch tensor comp matrix from MV notation in SAMPLE frame
gVec_s = np.dot(vMat_s, np.dot(rMat_c, gVec_c)) # reciprocal lattice vectors in SAMPLE frame
gHat_s = mutil.unitVector(gVec_s) # unit reciprocal lattice vectors in SAMPLE frame
gHat_c = np.dot(rMat_c.T, gHat_s) # unit reciprocal lattice vectors in CRYSTAL frame
match_omes, calc_omes = matchOmegas(xyo_det, hkls_idx, chi, rMat_c, bMat, wavelength,
vInv=vInv, beamVec=bVec, etaVec=eVec, omePeriod=omePeriod)
calc_xy = np.zeros((npts, 2))
for i in range(npts):
rMat_s = xfcapi.makeOscillRotMat([chi, calc_omes[i]])
calc_xy[i, :] = xfcapi.gvecToDetectorXY(gHat_c[:, i],
rMat_d, rMat_s, rMat_c,
tVec_d, tVec_s, tVec_c,
beamVec=bVec).flatten()
pass
if np.any(np.isnan(calc_xy)):
print "infeasible pFull: may want to scale back finite difference step size"
# return values
if simOnly:
retval = np.hstack([calc_xy, calc_omes.reshape(npts, 1)])
else:
diff_vecs_xy = calc_xy - xy_unwarped[:, :2]
diff_ome = xf.angularDifference( calc_omes, xyo_det[:, 2] )
retval = np.hstack([diff_vecs_xy,
diff_ome.reshape(npts, 1)
]).flatten()
if returnScalarValue:
retval = sum( retval )
return retval
def make_old_detector_parfile(
results, det_origin=(204.8, 204.8), filename=None
):
tiltAngles = np.array(results['tiltAngles'])
rMat_d = makeDetectorRotMat(tiltAngles)
tVec_d = results['tVec_d'] - results['tVec_s']
beamXYD = old_detector_params_from_new(
np.hstack([tiltAngles.flatten(), tVec_d.flatten()]), det_origin
)
det_plist = np.zeros(12)
det_plist[:3] = beamXYD.flatten()
det_plist[3:6] = tiltAngles
det_plist[6:] = results['dParams']
if filename is not None:
if isinstance(filename, file):
fid = filename
elif isinstance(filename, str) or isinstance(filename, unicode):
fid = open(filename, 'w')
print >> fid, "# DETECTOR PARAMETERS (from new geometry model fit)"
print >> fid, "# \n# <class 'hexrd.xrd.detector.DetectorGeomGE'>\n#"
for i in range(len(det_plist)):
print >> fid, "%1.8e\t%d" % (det_plist[i], 0)
fid.close()
return det_plist
def objFuncSX(pFit, pFull, pFlag, dFunc, dFlag,
xyo_det, hkls_idx, bMat, vInv, wavelength,
bVec, eVec, omePeriod,
simOnly=False, returnScalarValue=returnScalarValue):
"""
"""
npts = len(xyo_det)
refineFlag = np.hstack([pFlag, dFlag])
# pFull[refineFlag] = pFit/scl[refineFlag]
pFull[refineFlag] = pFit
dParams = pFull[-len(dFlag):]
xy_unwarped = dFunc(xyo_det[:, :2], dParams)
# detector quantities
rMat_d = xf.makeDetectorRotMat(pFull[:3])
tVec_d = pFull[3:6].reshape(3, 1)
# sample quantities
chi = pFull[6]
tVec_s = pFull[7:10].reshape(3, 1)
# crystal quantities
rMat_c = xf.makeRotMatOfExpMap(pFull[10:13])
tVec_c = pFull[13:16].reshape(3, 1)
gVec_c = np.dot(bMat, hkls_idx)
vMat_s = mutil.vecMVToSymm(vInv) # stretch tensor comp matrix from MV notation in SAMPLE frame
gVec_s = np.dot(vMat_s, np.dot(rMat_c, gVec_c)) # reciprocal lattice vectors in SAMPLE frame
gHat_s = mutil.unitVector(gVec_s) # unit reciprocal lattice vectors in SAMPLE frame
gHat_c = np.dot(rMat_c.T, gHat_s) # unit reciprocal lattice vectors in CRYSTAL frame
match_omes, calc_omes = matchOmegas(xyo_det, hkls_idx, chi, rMat_c, bMat, wavelength,
vInv=vInv, beamVec=bVec, etaVec=eVec, omePeriod=omePeriod)
calc_xy = np.zeros((npts, 2))
for i in range(npts):
rMat_s = xfcapi.makeOscillRotMat([chi, calc_omes[i]])
calc_xy[i, :] = xfcapi.gvecToDetectorXY(gHat_c[:, i],
rMat_d, rMat_s, rMat_c,
tVec_d, tVec_s, tVec_c,
beamVec=bVec).flatten()
pass
if np.any(np.isnan(calc_xy)):
print "infeasible pFull: may want to scale back finite difference step size"
# return values
if simOnly:
retval = np.hstack([calc_xy, calc_omes.reshape(npts, 1)])
else:
diff_vecs_xy = calc_xy - xy_unwarped[:, :2]
diff_ome = xf.angularDifference( calc_omes, xyo_det[:, 2] )
retval = np.hstack([diff_vecs_xy,
diff_ome.reshape(npts, 1)
]).flatten()
if returnScalarValue:
retval = sum( retval )
return retval
def tVec_d_from_old_detector_params(old_par, det_origin):
"""
calculate tVec_d from old [xc, yc, D] parameter spec
as loaded the params have 2 columns: [val, bool]
"""
rMat_d = makeDetectorRotMat(old_par[3:6, 0])
#
P2_d = np.c_[old_par[0, 0] - det_origin[0], old_par[1, 0] - det_origin[1], 0.0].T
P2_l = np.c_[0.0, 0.0, -old_par[2, 0]].T
return P2_l - np.dot(rMat_d, P2_d)
def old_detector_params_from_new(new_par, det_origin):
"""
calculate beam position in old parameter spec
*) may need to consider distortion...
"""
rMat_d = makeDetectorRotMat(new_par[:3])
tVec_d = new_par[3:6].reshape(3, 1)
A = np.eye(3); A[:, :2] = rMat_d[:, :2]
return solve(A, -tVec_d) + np.vstack([det_origin[0], det_origin[1], 0])
def tVec_d_from_old_detector_params(old_par, det_origin):
"""
calculate tVec_d from old [xc, yc, D] parameter spec
as loaded the params have 2 columns: [val, bool]
"""
rMat_d = makeDetectorRotMat(old_par[3:6, 0])
#
P2_d = np.c_[old_par[0, 0] - det_origin[0], old_par[1, 0] - det_origin[1],
0.].T
P2_l = np.c_[0., 0., -old_par[2, 0]].T
return P2_l - np.dot(rMat_d, P2_d)
def old_detector_params_from_new(new_par, det_origin):
"""
calculate beam position in old parameter spec
*) may need to consider distortion...
"""
rMat_d = makeDetectorRotMat(new_par[:3])
tVec_d = new_par[3:6].reshape(3, 1)
A = np.eye(3); A[:, :2] = rMat_d[:, :2]
return solve(A, -tVec_d) + np.vstack([det_origin[0], det_origin[1], 0])
def write_old_parfile(filename, results):
if isinstance(filename, file):
fid = filename
elif isinstance(filename, str) or isinstance(filename, unicode):
fid = open(filename, 'w')
pass
rMat_d = xf.makeDetectorRotMat(results['tiltAngles'])
tVec_d = results['tVec_d'] - results['tVec_s']
beamXYD = beamXYD_from_tVec_d(rMat_d, tVec_d, bVec_ref, detOrigin)
det_plist = np.zeros(12)
det_plist[:3] = beamXYD.flatten()
det_plist[3:6] = results['tiltAngles']
det_plist[6:] = results['dParams']
print >> fid, "# DETECTOR PARAMETERS (from new geometry model fit)"
print >> fid, "# \n# <class 'hexrd.xrd.detector.DetectorGeomGE'>\n#"
for i in range(len(det_plist)):
print >> fid, "%1.8e\t%d" % (det_plist[i], 0)
fid.close()
return
def write_old_parfile(filename, results):
if isinstance(filename, file):
fid = filename
elif isinstance(filename, str) or isinstance(filename, unicode):
fid = open(filename, 'w')
pass
rMat_d = xf.makeDetectorRotMat(results['tiltAngles'])
tVec_d = results['tVec_d'] - results['tVec_s']
beamXYD = beamXYD_from_tVec_d(rMat_d, tVec_d, bVec_ref, detOrigin)
det_plist = np.zeros(12)
det_plist[:3] = beamXYD.flatten()
det_plist[3:6] = results['tiltAngles']
det_plist[6:] = results['dParams']
print >> fid, "# DETECTOR PARAMETERS (from new geometry model fit)"
print >> fid, "# \n# <class 'hexrd.xrd.detector.DetectorGeomGE'>\n#"
for i in range(len(det_plist)):
print >> fid, "%1.8e\t%d" % (det_plist[i], 0)
fid.close()
return
def tVec_d_from_old_parfile(old_par, detOrigin):
beamXYD = old_par[:3, 0]
rMat_d = xf.makeDetectorRotMat(old_par[3:6, 0])
args = (rMat_d, beamXYD, detOrigin, bVec_ref)
tvd_xy = opt.leastsq(objFun_tVec_d, -beamXYD[:2], args=args)[0]
return np.hstack([tvd_xy, -beamXYD[2]]).reshape(3, 1)
import sys, os, time
import numpy as np
from hexrd.xrd import transforms as xf
from hexrd.xrd import transforms_CAPI as xfcapi
# input parameters
bVec_ref = xf.bVec_ref
tilt_angles = (0.0011546340766314521, -0.0040527538387122993,
-0.0026221336905160211)
rMat_d = xf.makeDetectorRotMat(tilt_angles)
tVec_d = np.array([[-1.44904], [-3.235616], [-1050.74026]])
chi = -0.0011591608938627839
tVec_s = np.array([[-0.15354144], [0.], [-0.23294777]])
rMat_c = xf.makeRotMatOfExpMap(
np.array([[0.66931818], [-0.98578066], [0.73593251]]))
tVec_c = np.array([[0.07547626], [0.08827523], [-0.02131205]])
rMat_s = xf.makeOscillRotMat([chi, 0.])
# ######################################################################
# Calculate pixel coordinates
#
pvec = 204.8 * np.linspace(-1, 1, 2048)
dcrds = np.meshgrid(pvec, pvec)
XY = np.ascontiguousarray(
np.vstack([dcrds[0].flatten(), dcrds[1].flatten()]).T)
import sys, os, time
import numpy as np
from hexrd.xrd import transforms as xf
from hexrd.xrd import transforms_CAPI as xfcapi
# input parameters
bVec_ref = xf.bVec_ref
rMat_d = xf.makeDetectorRotMat(
(0.0011546340766314521, -0.0040527538387122993, -0.0026221336905160211))
tVec_d = np.array([[-1.44904], [-3.235616], [-1050.74026]])
chi = -0.0011591608938627839
tVec_s = np.array([[-0.15354144], [0.], [-0.23294777]])
rMat_c = xf.makeRotMatOfExpMap(
np.array([[0.66931818], [-0.98578066], [0.73593251]]))
tVec_c = np.array([[0.07547626], [0.08827523], [-0.02131205]])
rMat_s = xf.makeOscillRotMat([chi, 0.])
# ######################################################################
# Calculate pixel coordinates
#
pvec = 204.8 * np.linspace(-1, 1, 2048)
dcrds = np.meshgrid(pvec, pvec)
XY = np.ascontiguousarray(
np.vstack([dcrds[0].flatten(), dcrds[1].flatten()]).T)
# Check the timings
def tVec_d_from_old_parfile(old_par, detOrigin):
beamXYD = old_par[:3, 0]
rMat_d = xf.makeDetectorRotMat(old_par[3:6, 0])
args=(rMat_d, beamXYD, detOrigin, bVec_ref)
tvd_xy = opt.leastsq(objFun_tVec_d, -beamXYD[:2], args=args)[0]
return np.hstack([tvd_xy, -beamXYD[2]]).reshape(3, 1)
import sys, os, time, random import numpy as np from hexrd.xrd import transforms as xf from hexrd.xrd import transforms_CAPI as xfcapi epsf = 2.2e-16 vec = np.array([[random.uniform(-np.pi,np.pi),random.uniform(-np.pi,np.pi),random.uniform(-np.pi,np.pi)]]) vHat1 = xf.unitVector(vec.T) vHat2 = xfcapi.unitRowVector(vec) print "unitVector results match: ",np.linalg.norm(vHat1.T-vHat2)/np.linalg.norm(vHat1) < epsf tAng = np.array([0.0011546340766314521,-0.0040527538387122993,-0.0026221336905160211]) rMat1 = xf.makeDetectorRotMat(tAng) rMat2 = xfcapi.makeDetectorRotMat(tAng) print "makeDetectorRotMat results match: ",np.linalg.norm(rMat1-rMat2)/np.linalg.norm(rMat1) < epsf oAng = np.array([-0.0011591608938627839,0.0011546340766314521]) rMat1 = xf.makeOscillRotMat(oAng) rMat2 = xfcapi.makeOscillRotMat(oAng) print "makeOscillRotMat results match: ",np.linalg.norm(rMat1-rMat2)/np.linalg.norm(rMat1) < epsf eMap = np.array([ 0.66931818,-0.98578066,0.73593251]) rMat1 = xf.makeRotMatOfExpMap(eMap) rMat2 = xfcapi.makeRotMatOfExpMap(eMap) print "makeRotMatOfExpMap results match: ",np.linalg.norm(rMat1-rMat2)/np.linalg.norm(rMat1) < epsf axis = np.array([ 0.66931818,-0.98578066,0.73593251]) rMat1 = xf.makeBinaryRotMat(axis) rMat2 = xfcapi.makeBinaryRotMat(axis)
def check_indexing_plots(cfg_filename,
plot_trials=False,
plot_from_grains=False):
cfg = config.open(cfg_filename)[0] # use first block, like indexing
working_dir = cfg.working_dir
analysis_dir = os.path.join(working_dir, cfg.analysis_name)
#instrument parameters
icfg = get_instrument_parameters(cfg)
chi = icfg['oscillation_stage']['chi']
# load maps that were used
oem = cPickle.load(open(cfg.find_orientations.orientation_maps.file, 'r'))
nmaps = len(oem.dataStore)
omeEdges = np.degrees(oem.omeEdges)
nome = len(omeEdges) - 1
etaEdges = np.degrees(oem.etaEdges)
neta = len(etaEdges) - 1
delta_ome = abs(omeEdges[1] - omeEdges[0])
full_ome_range = xf.angularDifference(omeEdges[0], omeEdges[-1]) == 0
full_eta_range = xf.angularDifference(etaEdges[0], etaEdges[-1]) == 0
# grab plane data and figure out IDs of map HKLS
pd = oem.planeData
gvids = [
pd.hklDataList[i]['hklID']
for i in np.where(pd.exclusions == False)[0].tolist()
]
# load orientations
quats = np.atleast_2d(
np.loadtxt(os.path.join(working_dir, 'accepted_orientations.dat')))
if plot_trials:
scored_trials = np.load(
os.path.join(working_dir, 'scored_orientations.dat'))
quats = scored_orientations[:4, scored_orientations[
-1, :] >= cfg.find_orientations.clustering.completeness]
pass
expMaps = np.tile(2. * np.arccos(quats[:, 0]),
(3, 1)) * unitVector(quats[:, 1:].T)
##########################################
# SPECIAL CASE FOR FIT GRAINS #
##########################################
if plot_from_grains:
distortion = (GE_41RT, icfg['detector']['distortion']['parameters'])
#
grain_table = np.atleast_2d(
np.loadtxt(os.path.join(analysis_dir, 'grains.out')))
ngrains = len(grain_table)
#
expMaps = grain_table[:, 3:6]
tVec_c = grain_table[:, 6:9]
vInv = grain_table[:, 6:12]
#
rMat_d = xf.makeDetectorRotMat(
icfg['detector']['transform']['tilt_angles'])
tVec_d = np.vstack(icfg['detector']['transform']['t_vec_d'])
#
chi = icfg['oscillation_stage']['chi']
tVec_s = np.vstack(icfg['oscillation_stage']['t_vec_s'])
#
oes = np.zeros(oem.dataStore.shape)
for i_grn in range(ngrains):
spots_table = np.loadtxt(
os.path.join(analysis_dir, 'spots_%05d.out' % i_grn))
idx_m = spots_table[:, 0] >= 0
for i_map in range(nmaps):
idx_g = spots_table[:, 1] == gvids[i_map]
idx = np.logical_and(idx_m, idx_g)
nrefl = sum(idx)
omes_fit = xf.mapAngle(spots_table[idx, 9],
np.radians(
cfg.find_orientations.omega.period),
units='radians')
xy_det = spots_table[idx, -3:]
xy_det[:, 2] = np.zeros(nrefl)
rMat_s_array = xfcapi.makeOscillRotMatArray(chi, omes_fit)
# form in-plane vectors for detector points list in DETECTOR FRAME
P2_d = xy_det.T
# in LAB FRAME
P2_l = np.dot(rMat_d, P2_d) + tVec_d # point on detector
P0_l = np.hstack([
tVec_s +
np.dot(rMat_s_array[j], tVec_c[i_grn, :].reshape(3, 1))
for j in range(nrefl)
]) # origin of CRYSTAL FRAME
# diffraction unit vector components in LAB FRAME
dHat_l = unitVector(P2_l - P0_l)
P2_l = np.dot(rMat_d, xy_det.T) + tVec_d
# angles for reference frame
dHat_ref_l = unitVector(P2_l)
# append etas and omes
etas_fit = np.arctan2(dHat_ref_l[1, :],
dHat_ref_l[0, :]).flatten()
# find indices, then truncate or wrap
i_ome = cellIndices(oem.omeEdges, omes_fit)
if full_ome_range:
i_ome[i_ome < 0] = np.mod(i_ome, nome) + 1
i_ome[i_ome >= nome] = np.mod(i_ome, nome)
else:
incl = np.logical_or(i_ome >= 0, i_ome < nome)
i_ome = i_ome[incl]
j_eta = cellIndices(oem.etaEdges, etas_fit)
if full_eta_range:
j_eta[j_eta < 0] = np.mod(j_eta, neta) + 1
j_eta[j_eta >= neta] = np.mod(j_eta, neta)
else:
incl = np.logical_or(j_eta >= 0, j_eta < neta)
j_eta = j_eta[incl]
#if np.max(i_ome) >= nome or np.min(i_ome) < 0 or np.max(j_eta) >= neta or np.min(j_eta) < 0:
# import pdb; pdb.set_trace()
# add to map
oes[i_map][i_ome, j_eta] = 1
pass
pass
# simulate quaternion points
if not plot_from_grains:
oes = simulateOmeEtaMaps(omeEdges,
etaEdges,
pd,
expMaps,
chi=chi,
etaTol=0.01,
omeTol=0.01,
etaRanges=None,
omeRanges=None,
bVec=xf.bVec_ref,
eVec=xf.eta_ref,
vInv=xf.vInv_ref)
# tick labling
omes = np.degrees(oem.omeEdges)
etas = np.degrees(oem.etaEdges)
num_ticks = 7
xmin = np.amin(etas)
xmax = np.amax(etas)
dx = (xmax - xmin) / (num_ticks - 1.)
dx1 = (len(etas) - 1) / (num_ticks - 1.)
xtlab = ["%.0f" % (xmin + i * dx) for i in range(num_ticks)]
xtloc = np.array([i * dx1 for i in range(num_ticks)]) - 0.5
ymin = np.amin(omes)
ymax = np.amax(omes)
dy = (ymax - ymin) / (num_ticks - 1.)
dy1 = (len(omes) - 1) / (num_ticks - 1.)
ytlab = ["%.0f" % (ymin + i * dy) for i in range(num_ticks)]
ytloc = np.array([i * dy1 for i in range(num_ticks)]) - 0.5
# Plot the three kernel density estimates
n_maps = len(oem.iHKLList)
fig_list = [plt.figure(num=i + 1) for i in range(n_maps)]
ax_list = [fig_list[i].gca() for i in range(n_maps)]
for i_map in range(n_maps):
y, x = np.where(oes[i_map] > 0)
ax_list[i_map].hold(True)
ax_list[i_map].imshow(oem.dataStore[i_map] > 0.1, cmap=cm.bone)
ax_list[i_map].set_title(r'Map for $\{%d %d %d\}$' %
tuple(pd.hkls[:, i_map]))
ax_list[i_map].set_xlabel(
r'Azimuth channel, $\eta$; $\Delta\eta=%.3f$' % delta_ome)
ax_list[i_map].set_ylabel(
r'Rotation channel, $\omega$; $\Delta\omega=%.3f$' % delta_ome)
ax_list[i_map].plot(x, y, 'c+')
ax_list[i_map].xaxis.set_ticks(xtloc)
ax_list[i_map].xaxis.set_ticklabels(xtlab)
ax_list[i_map].yaxis.set_ticks(ytloc)
ax_list[i_map].yaxis.set_ticklabels(ytlab)
ax_list[i_map].axis('tight')
plt.show()
return fig_list, oes
def check_indexing_plots(cfg_filename, plot_trials=False, plot_from_grains=False):
cfg = config.open(cfg_filename)[0] # use first block, like indexing
working_dir = cfg.working_dir
analysis_dir = os.path.join(working_dir, cfg.analysis_name)
#instrument parameters
icfg = get_instrument_parameters(cfg)
chi = icfg['oscillation_stage']['chi']
# load maps that were used
oem = cPickle.load(
open(cfg.find_orientations.orientation_maps.file, 'r')
)
nmaps = len(oem.dataStore)
omeEdges = np.degrees(oem.omeEdges); nome = len(omeEdges) - 1
etaEdges = np.degrees(oem.etaEdges); neta = len(etaEdges) - 1
delta_ome = abs(omeEdges[1]-omeEdges[0])
full_ome_range = xf.angularDifference(omeEdges[0], omeEdges[-1]) == 0
full_eta_range = xf.angularDifference(etaEdges[0], etaEdges[-1]) == 0
# grab plane data and figure out IDs of map HKLS
pd = oem.planeData
gvids = [pd.hklDataList[i]['hklID'] for i in np.where(pd.exclusions == False)[0].tolist()]
# load orientations
quats = np.atleast_2d(np.loadtxt(os.path.join(working_dir, 'accepted_orientations.dat')))
if plot_trials:
scored_trials = np.load(os.path.join(working_dir, 'scored_orientations.dat'))
quats = scored_orientations[:4, scored_orientations[-1, :] >= cfg.find_orientations.clustering.completeness]
pass
expMaps = np.tile(2. * np.arccos(quats[:, 0]), (3, 1))*unitVector(quats[:, 1:].T)
##########################################
# SPECIAL CASE FOR FIT GRAINS #
##########################################
if plot_from_grains:
distortion = (GE_41RT, icfg['detector']['distortion']['parameters'])
#
grain_table = np.atleast_2d(np.loadtxt(os.path.join(analysis_dir, 'grains.out')))
ngrains = len(grain_table)
#
expMaps = grain_table[:, 3:6]
tVec_c = grain_table[:, 6:9]
vInv = grain_table[:, 6:12]
#
rMat_d = xf.makeDetectorRotMat(icfg['detector']['transform']['tilt_angles'])
tVec_d = np.vstack(icfg['detector']['transform']['t_vec_d'])
#
chi = icfg['oscillation_stage']['chi']
tVec_s = np.vstack(icfg['oscillation_stage']['t_vec_s'])
#
oes = np.zeros(oem.dataStore.shape)
for i_grn in range(ngrains):
spots_table = np.loadtxt(os.path.join(analysis_dir, 'spots_%05d.out' %i_grn))
idx_m = spots_table[:, 0] >= 0
for i_map in range(nmaps):
idx_g = spots_table[:, 1] == gvids[i_map]
idx = np.logical_and(idx_m, idx_g)
nrefl = sum(idx)
omes_fit = xf.mapAngle(spots_table[idx, 9], np.radians(cfg.find_orientations.omega.period), units='radians')
xy_det = spots_table[idx, -3:]
xy_det[:, 2] = np.zeros(nrefl)
rMat_s_array = xfcapi.makeOscillRotMatArray(chi, omes_fit)
# form in-plane vectors for detector points list in DETECTOR FRAME
P2_d = xy_det.T
# in LAB FRAME
P2_l = np.dot(rMat_d, P2_d) + tVec_d # point on detector
P0_l = np.hstack(
[tVec_s + np.dot(rMat_s_array[j], tVec_c[i_grn, :].reshape(3, 1)) for j in range(nrefl)]
) # origin of CRYSTAL FRAME
# diffraction unit vector components in LAB FRAME
dHat_l = unitVector(P2_l - P0_l)
P2_l = np.dot(rMat_d, xy_det.T) + tVec_d
# angles for reference frame
dHat_ref_l = unitVector(P2_l)
# append etas and omes
etas_fit = np.arctan2(dHat_ref_l[1, :], dHat_ref_l[0, :]).flatten()
# find indices, then truncate or wrap
i_ome = cellIndices(oem.omeEdges, omes_fit)
if full_ome_range:
i_ome[i_ome < 0] = np.mod(i_ome, nome) + 1
i_ome[i_ome >= nome] = np.mod(i_ome, nome)
else:
incl = np.logical_or(i_ome >= 0, i_ome < nome)
i_ome = i_ome[incl]
j_eta = cellIndices(oem.etaEdges, etas_fit)
if full_eta_range:
j_eta[j_eta < 0] = np.mod(j_eta, neta) + 1
j_eta[j_eta >= neta] = np.mod(j_eta, neta)
else:
incl = np.logical_or(j_eta >= 0, j_eta < neta)
j_eta = j_eta[incl]
#if np.max(i_ome) >= nome or np.min(i_ome) < 0 or np.max(j_eta) >= neta or np.min(j_eta) < 0:
# import pdb; pdb.set_trace()
# add to map
oes[i_map][i_ome, j_eta] = 1
pass
pass
# simulate quaternion points
if not plot_from_grains:
oes = simulateOmeEtaMaps(omeEdges, etaEdges, pd,
expMaps,
chi=chi,
etaTol=0.01, omeTol=0.01,
etaRanges=None, omeRanges=None,
bVec=xf.bVec_ref, eVec=xf.eta_ref, vInv=xf.vInv_ref)
# tick labling
omes = np.degrees(oem.omeEdges)
etas = np.degrees(oem.etaEdges)
num_ticks = 7
xmin = np.amin(etas); xmax = np.amax(etas)
dx = (xmax - xmin) / (num_ticks - 1.); dx1 = (len(etas) - 1) / (num_ticks - 1.)
xtlab = ["%.0f" % (xmin + i*dx) for i in range(num_ticks)]
xtloc = np.array([i*dx1 for i in range(num_ticks)]) - 0.5
ymin = np.amin(omes); ymax = np.amax(omes)
dy = (ymax - ymin) / (num_ticks - 1.); dy1 = (len(omes) - 1) / (num_ticks - 1.)
ytlab = ["%.0f" % (ymin + i*dy) for i in range(num_ticks)]
ytloc = np.array([i*dy1 for i in range(num_ticks)]) - 0.5
# Plot the three kernel density estimates
n_maps = len(oem.iHKLList)
fig_list =[plt.figure(num=i+1) for i in range(n_maps)]
ax_list = [fig_list[i].gca() for i in range(n_maps)]
for i_map in range(n_maps):
y, x = np.where(oes[i_map] > 0)
ax_list[i_map].hold(True)
ax_list[i_map].imshow(oem.dataStore[i_map] > 0.1, cmap=cm.bone)
ax_list[i_map].set_title(r'Map for $\{%d %d %d\}$' %tuple(pd.hkls[:, i_map]))
ax_list[i_map].set_xlabel(r'Azimuth channel, $\eta$; $\Delta\eta=%.3f$' %delta_ome)
ax_list[i_map].set_ylabel(r'Rotation channel, $\omega$; $\Delta\omega=%.3f$' %delta_ome)
ax_list[i_map].plot(x, y, 'c+')
ax_list[i_map].xaxis.set_ticks(xtloc)
ax_list[i_map].xaxis.set_ticklabels(xtlab)
ax_list[i_map].yaxis.set_ticks(ytloc)
ax_list[i_map].yaxis.set_ticklabels(ytlab)
ax_list[i_map].axis('tight')
plt.show()
return fig_list, oes
def objFuncSX(pFit,
pFull,
pFlag,
dFunc,
dFlag,
xyo_det,
hkls_idx,
bMat,
vInv,
bVec,
eVec,
omePeriod,
simOnly=False,
return_value_flag=return_value_flag):
"""
"""
npts = len(xyo_det)
refineFlag = np.array(np.hstack([pFlag, dFlag]), dtype=bool)
print refineFlag
# pFull[refineFlag] = pFit/scl[refineFlag]
pFull[refineFlag] = pFit
if dFunc is not None:
dParams = pFull[-len(dFlag):]
xys = dFunc(xyo_det[:, :2], dParams)
else:
xys = xyo_det[:, :2]
# detector quantities
wavelength = pFull[0]
rMat_d = xf.makeDetectorRotMat(pFull[1:4])
tVec_d = pFull[4:7].reshape(3, 1)
# sample quantities
chi = pFull[7]
tVec_s = pFull[8:11].reshape(3, 1)
# crystal quantities
rMat_c = xf.makeRotMatOfExpMap(pFull[11:14])
tVec_c = pFull[14:17].reshape(3, 1)
# stretch tensor comp matrix from MV notation in SAMPLE frame
vMat_s = mutil.vecMVToSymm(vInv)
# g-vectors:
# 1. calculate full g-vector components in CRYSTAL frame from B
# 2. rotate into SAMPLE frame and apply stretch
# 3. rotate back into CRYSTAL frame and normalize to unit magnitude
# IDEA: make a function for this sequence of operations with option for
# choosing ouput frame (i.e. CRYSTAL vs SAMPLE vs LAB)
gVec_c = np.dot(bMat, hkls_idx)
gVec_s = np.dot(vMat_s, np.dot(rMat_c, gVec_c))
gHat_c = mutil.unitVector(np.dot(rMat_c.T, gVec_s))
match_omes, calc_omes = matchOmegas(xyo_det,
hkls_idx,
chi,
rMat_c,
bMat,
wavelength,
vInv=vInv,
beamVec=bVec,
etaVec=eVec,
omePeriod=omePeriod)
calc_xy = np.zeros((npts, 2))
for i in range(npts):
rMat_s = xfcapi.makeOscillRotMat([chi, calc_omes[i]])
calc_xy[i, :] = xfcapi.gvecToDetectorXY(gHat_c[:, i],
rMat_d,
rMat_s,
rMat_c,
tVec_d,
tVec_s,
tVec_c,
beamVec=bVec).flatten()
pass
if np.any(np.isnan(calc_xy)):
raise RuntimeError("infeasible pFull: may want to scale" +
"back finite difference step size")
# return values
if simOnly:
# return simulated values
retval = np.hstack([calc_xy, calc_omes.reshape(npts, 1)])
else:
# return residual vector
# IDEA: try angles instead of xys?
diff_vecs_xy = calc_xy - xys[:, :2]
diff_ome = xf.angularDifference(calc_omes, xyo_det[:, 2])
retval = np.hstack([diff_vecs_xy, diff_ome.reshape(npts, 1)]).flatten()
if return_value_flag == 1:
# return scalar sum of squared residuals
retval = sum(abs(retval))
elif return_value_flag == 2:
# return DOF-normalized chisq
# TODO: check this calculation
denom = npts - len(pFit) - 1.
if denom != 0:
nu_fac = 1. / denom
else:
nu_fac = 1.
nu_fac = 1 / (npts - len(pFit) - 1.)
retval = nu_fac * sum(retval**2)
return retval
def objFuncSX(pFit, pFull, pFlag, dFunc, dFlag,
xyo_det, hkls_idx, bMat, vInv,
bVec, eVec, omePeriod,
simOnly=False, return_value_flag=return_value_flag):
"""
"""
npts = len(xyo_det)
refineFlag = np.array(np.hstack([pFlag, dFlag]), dtype=bool)
print refineFlag
# pFull[refineFlag] = pFit/scl[refineFlag]
pFull[refineFlag] = pFit
if dFunc is not None:
dParams = pFull[-len(dFlag):]
xys = dFunc(xyo_det[:, :2], dParams)
else:
xys = xyo_det[:, :2]
# detector quantities
wavelength = pFull[0]
rMat_d = xf.makeDetectorRotMat(pFull[1:4])
tVec_d = pFull[4:7].reshape(3, 1)
# sample quantities
chi = pFull[7]
tVec_s = pFull[8:11].reshape(3, 1)
# crystal quantities
rMat_c = xf.makeRotMatOfExpMap(pFull[11:14])
tVec_c = pFull[14:17].reshape(3, 1)
# stretch tensor comp matrix from MV notation in SAMPLE frame
vMat_s = mutil.vecMVToSymm(vInv)
# g-vectors:
# 1. calculate full g-vector components in CRYSTAL frame from B
# 2. rotate into SAMPLE frame and apply stretch
# 3. rotate back into CRYSTAL frame and normalize to unit magnitude
# IDEA: make a function for this sequence of operations with option for
# choosing ouput frame (i.e. CRYSTAL vs SAMPLE vs LAB)
gVec_c = np.dot(bMat, hkls_idx)
gVec_s = np.dot(vMat_s, np.dot(rMat_c, gVec_c))
gHat_c = mutil.unitVector(np.dot(rMat_c.T, gVec_s))
match_omes, calc_omes = matchOmegas(
xyo_det, hkls_idx, chi, rMat_c, bMat, wavelength,
vInv=vInv, beamVec=bVec, etaVec=eVec, omePeriod=omePeriod)
calc_xy = np.zeros((npts, 2))
for i in range(npts):
rMat_s = xfcapi.makeOscillRotMat([chi, calc_omes[i]])
calc_xy[i, :] = xfcapi.gvecToDetectorXY(gHat_c[:, i],
rMat_d, rMat_s, rMat_c,
tVec_d, tVec_s, tVec_c,
beamVec=bVec).flatten()
pass
if np.any(np.isnan(calc_xy)):
raise RuntimeError(
"infeasible pFull: may want to scale" +
"back finite difference step size")
# return values
if simOnly:
# return simulated values
retval = np.hstack([calc_xy, calc_omes.reshape(npts, 1)])
else:
# return residual vector
# IDEA: try angles instead of xys?
diff_vecs_xy = calc_xy - xys[:, :2]
diff_ome = xf.angularDifference(calc_omes, xyo_det[:, 2])
retval = np.hstack([diff_vecs_xy,
diff_ome.reshape(npts, 1)
]).flatten()
if return_value_flag == 1:
# return scalar sum of squared residuals
retval = sum(abs(retval))
elif return_value_flag == 2:
# return DOF-normalized chisq
# TODO: check this calculation
denom = npts - len(pFit) - 1.
if denom != 0:
nu_fac = 1. / denom
else:
nu_fac = 1.
nu_fac = 1 / (npts - len(pFit) - 1.)
retval = nu_fac * sum(retval**2)
return retval
import sys, os, time
import numpy as np
from hexrd.xrd import transforms as xf
from hexrd.xrd import transforms_CAPI as xfcapi
# input parameters
bVec_ref = xf.bVec_ref
tilt_angles = ( 0.0011546340766314521,
-0.0040527538387122993,
-0.0026221336905160211 )
rMat_d = xf.makeDetectorRotMat( tilt_angles )
tVec_d = np.array( [ [ -1.44904 ],
[ -3.235616],
[-1050.74026 ] ] )
chi = -0.0011591608938627839
tVec_s = np.array([ [-0.15354144],
[ 0. ],
[-0.23294777] ] )
rMat_c = xf.makeRotMatOfExpMap(np.array( [ [ 0.66931818],
[-0.98578066],
[ 0.73593251] ] ) )
tVec_c = np.array( [ [ 0.07547626],
[ 0.08827523],
[-0.02131205] ] )
rMat_s = xf.makeOscillRotMat([chi, 0.])
from timeit import default_timer as timer
import sys, os, time
import numpy as np
from hexrd.xrd import transforms as xf
from hexrd.xrd import transforms_CAPI as xfcapi
from hexrd.xrd import pycfuncs_transforms as pycfuncs
import numba.cuda
# input parameters
bVec_ref = xf.bVec_ref
rMat_d = xf.makeDetectorRotMat( ( 0.0011546340766314521,
-0.0040527538387122993,
-0.0026221336905160211 ) )
tVec_d = np.array( [ [ -1.44904 ],
[ -3.235616],
[-1050.74026 ] ] )
chi = -0.0011591608938627839
tVec_s = np.array([ [-0.15354144],
[ 0. ],
[-0.23294777] ] )
rMat_c = xf.makeRotMatOfExpMap(np.array( [ [ 0.66931818],
[-0.98578066],
[ 0.73593251] ] ) )
tVec_c = np.array( [ [ 0.07547626],
[ 0.08827523],
[-0.02131205] ] )
epsf = 2.2e-16
vec = np.array([[
random.uniform(-np.pi, np.pi),
random.uniform(-np.pi, np.pi),
random.uniform(-np.pi, np.pi)
]])
vHat1 = xf.unitVector(vec.T)
vHat2 = xfcapi.unitRowVector(vec)
print "unitVector results match: ", np.linalg.norm(
vHat1.T - vHat2) / np.linalg.norm(vHat1) < epsf
tAng = np.array(
[0.0011546340766314521, -0.0040527538387122993, -0.0026221336905160211])
rMat1 = xf.makeDetectorRotMat(tAng)
rMat2 = xfcapi.makeDetectorRotMat(tAng)
print "makeDetectorRotMat results match: ", np.linalg.norm(
rMat1 - rMat2) / np.linalg.norm(rMat1) < epsf
oAng = np.array([-0.0011591608938627839, 0.0011546340766314521])
rMat1 = xf.makeOscillRotMat(oAng)
rMat2 = xfcapi.makeOscillRotMat(oAng)
print "makeOscillRotMat results match: ", np.linalg.norm(
rMat1 - rMat2) / np.linalg.norm(rMat1) < epsf
eMap = np.array([0.66931818, -0.98578066, 0.73593251])
rMat1 = xf.makeRotMatOfExpMap(eMap)
rMat2 = xfcapi.makeRotMatOfExpMap(eMap)
print "makeRotMatOfExpMap results match: ", np.linalg.norm(
rMat1 - rMat2) / np.linalg.norm(rMat1) < epsf