hexrd.fitting.grains module
Grain fitting functions
- hexrd.fitting.grains.fitGrain(gFull, instrument, reflections_dict, bMat, wavelength, gFlag=array([True, True, True, True, True, True, True, True, True, True, True, True]), gScl=array([True, True, True, True, True, True, True, True, True, True, True, True]), omePeriod=None, factor=0.1, xtol=1.4901161193847656e-08, ftol=1.4901161193847656e-08)[source]
Perform least-squares optimization of grain parameters.
Parameters
- gFullTYPE
DESCRIPTION.
- instrumentTYPE
DESCRIPTION.
- reflections_dictTYPE
DESCRIPTION.
- bMatTYPE
DESCRIPTION.
- wavelengthTYPE
DESCRIPTION.
- gFlagTYPE, optional
DESCRIPTION. The default is gFlag_ref.
- gSclTYPE, optional
DESCRIPTION. The default is gScl_ref.
- omePeriodTYPE, optional
DESCRIPTION. The default is None.
- factorTYPE, optional
DESCRIPTION. The default is 0.1.
- xtolTYPE, optional
DESCRIPTION. The default is sqrt_epsf.
- ftolTYPE, optional
DESCRIPTION. The default is sqrt_epsf.
Raises
- RuntimeError
DESCRIPTION.
Returns
- retvalTYPE
DESCRIPTION.
- hexrd.fitting.grains.matchOmegas(xyo_det, hkls_idx, chi, rMat_c, bMat, wavelength, vInv=array([1., 1., 1., 0., 0., 0.]), beamVec=array([[-0.], [-0.], [-1.]]), etaVec=array([[1.], [0.], [0.]]), omePeriod=None)[source]
For a given list of (x, y, ome) points, outputs the index into the results from oscillAnglesOfHKLs, including the calculated omega values.
- hexrd.fitting.grains.objFuncFitGrain(gFit, gFull, gFlag, instrument, reflections_dict, bMat, wavelength, omePeriod, simOnly=False, return_value_flag=None)[source]
Calculate residual between measured and simulated ff-HEDM G-vectors.
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]
OLD CALL objFuncFitGrain(gFit, gFull, gFlag,
detectorParams, xyo_det, hkls_idx, bMat, wavelength, bVec, eVec, dFunc, dParams, omePeriod, simOnly=False, return_value_flag=return_value_flag)
Parameters
- gFitTYPE
DESCRIPTION.
- gFullTYPE
DESCRIPTION.
- gFlagTYPE
DESCRIPTION.
- instrumentTYPE
DESCRIPTION.
- reflections_dictTYPE
DESCRIPTION.
- bMatTYPE
DESCRIPTION.
- wavelengthTYPE
DESCRIPTION.
- omePeriodTYPE
DESCRIPTION.
- simOnlyTYPE, optional
DESCRIPTION. The default is False.
- return_value_flagTYPE, optional
DESCRIPTION. The default is return_value_flag.
Raises
- RuntimeError
DESCRIPTION.
Returns
- retvalTYPE
DESCRIPTION.