def objFuncSX(pFit, pFull, pFlag, dFunc, dFlag,
xyo_det, hkls_idx, bMat, vInv, wavelength,
bVec, eVec, omePeriod, simOnly=False):
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)
xy_det = np.zeros((npts, 2))
for i in range(npts):
rMat_s = xf.makeOscillRotMat([chi, calc_omes[i]])
# rMat_s = xf.makeOscillRotMat([chi, meas_omes[i]])
xy_det[i, :] = xf.gvecToDetectorXY(gHat_c[:, i].reshape(3, 1),
rMat_d, rMat_s, rMat_c,
tVec_d, tVec_s, tVec_c,
beamVec=bVec).flatten()
pass
if np.any(np.isnan(xy_det)):
print "infeasible pFull: may want to scale back finite difference step size"
# return values
# retval = np.sum((xy_det - xy_unwarped[:, :2])**2)
if simOnly:
retval = np.hstack([xy_det, calc_omes.reshape(npts, 1)])
else:
# retval = np.sum( (xy_det - xy_unwarped[:, :2])**2, axis=1)
retval = np.sum( (np.hstack([xy_det, calc_omes.reshape(npts, 1)])
- np.hstack([xy_unwarped[:, :2], xyo_det[:, 2].reshape(npts, 1)])
)**2, axis=1)
return retval
print "Time for CAPI detectorXYToGvec: %f"%(elapsed2) # maxDiff_tTh = np.linalg.norm(tTh_d1-tTh_d2,np.inf) # print "Maximum disagreement in tTh: %f"%maxDiff_tTh # maxDiff_eta = np.linalg.norm(eta_d1-eta_d2,np.inf) ## print "Maximum disagreement in eta: %f"%maxDiff_eta # maxDiff_gVec = np.linalg.norm(np.sqrt(np.sum(np.asarray(gVec_l1.T-gVec_l2)**2,1)),np.inf) # print "Maximum disagreement in gVec: %f"%maxDiff_gVec gVec_c1 = np.dot(rMat_c.T,np.dot(rMat_s.T,gVec_l1)) gVec_c2 = np.ascontiguousarray(np.dot(rMat_c.T,np.dot(rMat_s.T,gVec_l2.T)).T) start3 = timer() # time this xy1 = xf.gvecToDetectorXY(gVec_c1,rMat_d,rMat_s,rMat_c,tVec_d,tVec_s,tVec_c,beamVec=bVec_ref) elapsed3 = (timer() - start3) print "Time for Python gvecToDetectorXY: %f"%(elapsed3) start4 = timer() # time this xy2 = xfcapi.gvecToDetectorXY(gVec_c2,rMat_d,rMat_s,rMat_c,tVec_d,tVec_s,tVec_c,beamVec=bVec_ref) elapsed4 = (timer() - start4) print "Time for CAPI gvecToDetectorXY: %f"%(elapsed4) print 'cudadevice: ', numba.cuda.get_current_device().name # setup or numba version # should be able to run in nopython mode bHat_l = np.zeros(3)
def objFuncFitGrain(gFit, gFull, gFlag,
detectorParams,
xyo_det, hkls_idx, bMat, wavelength,
bVec, eVec,
dFunc, dParams,
omePeriod,
simOnly=False):
"""
gFull[0] = expMap_c[0]
gFull[1] = expMap_c[1]
gFull[2] = expMap_c[2]
gFull[3] = tVec_c[0]
gFull[4] = tVec_c[1]
gFull[5] = tVec_c[2]
gFull[6] = vInv_MV[0]
gFull[7] = vInv_MV[1]
gFull[8] = vInv_MV[2]
gFull[9] = vInv_MV[3]
gFull[10] = vInv_MV[4]
gFull[11] = vInv_MV[5]
detectorParams[0] = tiltAngles[0]
detectorParams[1] = tiltAngles[1]
detectorParams[2] = tiltAngles[2]
detectorParams[3] = tVec_d[0]
detectorParams[4] = tVec_d[1]
detectorParams[5] = tVec_d[2]
detectorParams[6] = chi
detectorParams[7] = tVec_s[0]
detectorParams[8] = tVec_s[1]
detectorParams[9] = tVec_s[2]
"""
npts = len(xyo_det)
gFull[gFlag] = gFit
xy_unwarped = dFunc(xyo_det[:, :2], dParams)
rMat_d = xfcapi.makeDetectorRotMat(detectorParams[:3])
tVec_d = detectorParams[3:6].reshape(3, 1)
chi = detectorParams[6]
tVec_s = detectorParams[7:10].reshape(3, 1)
rMat_c = xfcapi.makeRotMatOfExpMap(gFull[:3])
tVec_c = gFull[3:6].reshape(3, 1)
vInv_s = gFull[6:]
vMat_s = mutil.vecMVToSymm(vInv_s) # NOTE: Inverse of V from F = V * R
gVec_c = np.dot(bMat, hkls_idx) # gVecs with magnitudes in CRYSTAL frame
gVec_s = np.dot(vMat_s, np.dot(rMat_c, gVec_c)) # stretched gVecs in SAMPLE frame
gHat_c = mutil.unitVector(
np.dot(rMat_c.T, gVec_s)) # unit reciprocal lattice vectors in CRYSTAL frame
match_omes, calc_omes = matchOmegas(xyo_det, hkls_idx, chi, rMat_c, bMat, wavelength,
vInv=vInv_s, beamVec=bVec, etaVec=eVec,
omePeriod=omePeriod)
xy_det = np.zeros((npts, 2))
for i in range(npts):
rMat_s = xfcapi.makeOscillRotMat(np.r_[chi, calc_omes[i]])
xy_det[i, :] = xf.gvecToDetectorXY(gHat_c[:, i].reshape(3, 1),
rMat_d, rMat_s, rMat_c,
tVec_d, tVec_s, tVec_c,
beamVec=bVec).flatten()
pass
if np.any(np.isnan(xy_det)):
print "infeasible pFull"
# return values
# retval = np.sum((xy_det - xy_unwarped[:, :2])**2)
if simOnly:
retval = np.hstack([xy_det, calc_omes.reshape(npts, 1)])
else:
# retval = np.sum( (xy_det - xy_unwarped[:, :2])**2, axis=1)
retval = np.sum( (np.hstack([xy_det, calc_omes.reshape(npts, 1)])
- np.hstack([xy_unwarped[:, :2], xyo_det[:, 2].reshape(npts, 1)])
)**2, axis=1)
return retval
eta_d2 = dangs2[0][1] gVec_l2 = dangs2[1] elapsed2 = (time.clock() - start2) print "Time for CAPI detectorXYToGvec: %f"%(elapsed2) maxDiff_tTh = np.linalg.norm(tTh_d1-tTh_d2,np.inf) print "Maximum disagreement in tTh: %f"%maxDiff_tTh maxDiff_eta = np.linalg.norm(eta_d1-eta_d2,np.inf) print "Maximum disagreement in eta: %f"%maxDiff_eta maxDiff_gVec = np.linalg.norm(np.sqrt(np.sum(np.asarray(gVec_l1.T-gVec_l2)**2,1)),np.inf) print "Maximum disagreement in gVec: %f"%maxDiff_gVec gVec_c1 = np.dot(rMat_c.T,np.dot(rMat_s.T,gVec_l1)) gVec_c2 = np.ascontiguousarray(np.dot(rMat_c.T,np.dot(rMat_s.T,gVec_l2.T)).T) start3 = time.clock() # time this xy1 = xf.gvecToDetectorXY(gVec_c1,rMat_d,rMat_s,rMat_c,tVec_d,tVec_s,tVec_c,beamVec=bVec_ref) elapsed3 = (time.clock() - start3) print "Time for Python gvecToDetectorXY: %f"%(elapsed3) maxDiff_xy = np.linalg.norm(np.sqrt(np.sum(np.asarray(XY-xy1)**2,1)),np.inf) print "Maximum disagreement in gVec: %f"%maxDiff_xy start4 = time.clock() # time this xy2 = xfcapi.gvecToDetectorXY(gVec_c2,rMat_d,rMat_s,rMat_c,tVec_d,tVec_s,tVec_c,beamVec=bVec_ref) elapsed4 = (time.clock() - start4) print "Time for CAPI gvecToDetectorXY: %f"%(elapsed4) maxDiff_xy = np.linalg.norm(np.sqrt(np.sum(np.asarray(XY-xy2)**2,1)),np.inf) print "Maximum disagreement in gVec: %f"%maxDiff_xy
