hexrd.fitting.calibration.structureless module

class hexrd.fitting.calibration.structureless.StructurelessCalibrator(instr, data, tth_distortion=None, engineering_constraints=None, relative_constraints_type=RelativeConstraintsType.none, euler_convention=('zxz', False))[source]

Bases: object

this class implements the equivalent of the powder calibrator but without constraining the optimization to a structure. in this implementation, the location of the constant two theta line that a set of points lie on is also an optimization parameter.

unlike the previous implementations, this routine is based on the lmfit module to implement the more complicated constraints for the TARDIS box

if TARDIS_constraints are set to True, then the following additional linear constraint is added to the calibration

22.83 mm <= |IMAGE-PLATE-2 tvec[1]| + |IMAGE-PLATE-2 tvec[1]| <= 23.43 mm

calc_residual(params)[source]

property data

property engineering_constraints

property instr

make_lmfit_params()[source]

property meas_angles: dict: this property will return a dictionary of angles based on current instrument parameters.

property relative_constraints: RelativeConstraints

property relative_constraints_type

property residual

run_calibration(method='least_squares', odict=None)[source]: odict is the options dictionary

set_minimizer()[source]

property tth_correction: dict

property tth_distortion

property two_XRS