xoppylib.crystals.tools

Crystal diffraction tools: Bragg metric tensor, structure factors, and related utilities.

Functions

TemperFactor(sinTheta_lambda, anisos[, ...])	Calculation isotropic & anisotropic temerature factors.
bragg_calc([descriptor, hh, kk, ll, temper, ...])	OBSOLETE.
bragg_calc2([descriptor, hh, kk, ll, ...])	Preprocessor for Structure Factor (FH) calculations.
bragg_metrictensor(a, b, c, a1, a2, a3[, ...])	Returns the metric tensor in the reciprocal space.
calc_temperature_factor(temperature[, ...])	Calculates the (Debye) temperature factor for single crystals.
crystal_fh(input_dictionary, phot_in[, ...])	Calculates the crystal structure factors.
lorentz(theta_bragg_deg[, return_what])	This function returns the Lorentz factor, polarization factor (unpolarized beam), geometric factor, or a combination of them.
mare_calc(descriptor, H, K, L, HMAX, KMAX, ...)	Calculates:
run_diff_pat(bragg_dict[, ...])