Merge branch 'sans834_integrate_2d_case_into_workflow' into 'next' (e3536ccd) · Commits · sns-hfir-scse / sans / sans-backend

drtsans/tof/eqsans/elastic_reference_normalization.py

+58 −1

Original line number	Diff line number	Diff line
		# Main method in this module implement step 2 of
		# wavelength dependent inelastic incoherent scattering correction
		# https://code.ornl.gov/sns-hfir-scse/sans/sans-backend/-/issues/689
		from drtsans.dataobjects import verify_same_q_bins, IQmod
		from drtsans.dataobjects import verify_same_q_bins, IQmod, IQazimuthal
		import numpy as np


		@@ -216,6 +216,63 @@ def normalize_by_elastic_reference(i_of_q, ref_i_of_q):
		return normalized_i_of_q, k_vec, k_error_vec


		def normalize_by_elastic_reference2D(i_of_q, ref_i_of_q):
		"""Normalize I(Q2D) by elastic reference run

		Parameters
		----------
		i_of_q: ~drtsans.dataobjects.IQmod
		Input I(Q, wavelength) to normalize
		ref_i_of_q: ~drtsans.dataobjects.IQmod
		Input I(Q, wavelength) as elastic reference run

		Returns
		-------
		tuple
		normalized Q(2D), K vector and delta K vector

		"""
		# check i_of_q and ref_i_of_q shall have same binning
		if not verify_same_q_bins(i_of_q, ref_i_of_q):
		raise RuntimeError(
		"Input I(Q) and elastic reference I(Q) have different Q and wavelength binning"
		)

		# skip reshape step of the 1D case?

		k_vec, k_error2_vec, p_vec, s_vec = calculate_K_2d(i_of_q)

		# common grouping mask
		mask = determine_common_mod_q2d_range_mesh(i_of_q.qx, i_of_q.qy, i_of_q.wavelength, i_of_q.intensity)

		ref_wavelength_vec = determine_reference_wavelength_q2d(i_of_q, mask)

		normalized_intensity_array, normalized_error2_array = normalize_intensity_q2d(
		i_of_q.wavelength,
		i_of_q.qx,
		i_of_q.qy,
		i_of_q.intensity,
		i_of_q.error,
		ref_wavelength_vec,
		k_vec,
		p_vec,
		s_vec,
		mask
		)

		normalized_i_of_q = IQazimuthal(
		intensity=normalized_intensity_array,
		error=normalized_error2_array,
		qx=i_of_q.qx,
		qy=i_of_q.qy,
		wavelength=i_of_q.wavelength,
		delta_qx=i_of_q.delta_qx,
		delta_qy=i_of_q.delta_qy
		)

		return normalized_i_of_q, k_vec, k_error2_vec


		def build_i_of_q1d(wl_vector, q_vector, intensity_array, error_array, delta_q_array):
		"""From wavelength, Q, intensity, error and delta Q to build I(Q1D)

drtsans/tof/eqsans/reduction_api.py

+35 −20

Original line number	Diff line number	Diff line
		@@ -22,6 +22,7 @@ from drtsans.tof.eqsans.correction_api import (
		)
		from drtsans.tof.eqsans.elastic_reference_normalization import (
		normalize_by_elastic_reference,
		normalize_by_elastic_reference2D,
		)
		import os
		from collections import namedtuple
		@@ -287,7 +288,7 @@ def bin_i_with_correction(
		)

		# Bin elastic reference run
		if iq1d_elastic_ref_fr:
		if iq1d_elastic_ref_fr or iq2d_elastic_ref_fr:
		# bin the reference elastic runs of the current frame
		iq2d_elastic_wl, iq1d_elastic_wl = bin_all(
		iq2d_elastic_ref_fr[wl_frame],
		@@ -309,6 +310,7 @@ def bin_i_with_correction(
		error_weighted=weighted_errors,
		n_wavelength_bin=None,
		)
		if (iq1d_elastic_ref_fr):
		if len(iq1d_elastic_wl) != 1:
		raise NotImplementedError(
		"Not expected that there are more than 1 IQmod of "
		@@ -329,6 +331,19 @@ def bin_i_with_correction(
		k_error_vec,
		path=os.path.join(output_dir, f"k_{run_number}.dat"),
		)
		else:
		# 2D normalization
		iq2d_wl, k_vec, k_error_vec = normalize_by_elastic_reference2D(
		iq2d_main_wl[0], iq2d_elastic_wl[0]
		)
		iq2d_main_wl[0] = iq2d_wl

		save_k_vector(
		iq2d_wl.wavelength,
		k_vec,
		k_error_vec,
		path=os.path.join(output_dir, f"k_{run_number}.dat"),
		)

		# 1D correction
		b_file_prefix = f"{raw_name}_frame_{wl_frame}"