diff --git a/exspy/misc/eels/gosh_gos.py b/exspy/misc/eels/gosh_gos.py index 122d2e794..74f355df6 100644 --- a/exspy/misc/eels/gosh_gos.py +++ b/exspy/misc/eels/gosh_gos.py @@ -76,6 +76,7 @@ class GoshGOS(TabulatedGOS): "qaxis": None, "element": None, "subshell": None, + "subshell_factor": None, } def __init__(self, element_subshell, gos_file_path=None): diff --git a/exspy/misc/eels/hartree_slater_gos.py b/exspy/misc/eels/hartree_slater_gos.py index 8c891afd7..8439136fa 100644 --- a/exspy/misc/eels/hartree_slater_gos.py +++ b/exspy/misc/eels/hartree_slater_gos.py @@ -107,6 +107,7 @@ class HartreeSlaterGOS(TabulatedGOS): "qaxis": None, "element": None, "subshell": None, + "subshell_factor": None, } def read_elements(self): diff --git a/exspy/tests/components/coreloss_spectrum.msa b/exspy/tests/components/coreloss_spectrum.msa new file mode 100644 index 000000000..7ed567b70 --- /dev/null +++ b/exspy/tests/components/coreloss_spectrum.msa @@ -0,0 +1,2062 @@ +#FORMAT : EMSA/MAS Spectral 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A PARTICULAR PURPOSE. See the -# GNU General Public License for more details. -# -# You should have received a copy of the GNU General Public License -# along with eXSpy. If not, see . - - -def test_eels_cl_edge(): - pass diff --git a/exspy/tests/components/test_eels_cl_edge.py b/exspy/tests/components/test_eels_cl_edge.py new file mode 100644 index 000000000..88eb9e111 --- /dev/null +++ b/exspy/tests/components/test_eels_cl_edge.py @@ -0,0 +1,51 @@ +# -*- coding: utf-8 -*- +# Copyright 2007-2024 The eXSpy developers +# +# This file is part of eXSpy. +# +# eXSpy is free software: you can redistribute it and/or modify +# it under the terms of the GNU General Public License as published by +# the Free Software Foundation, either version 3 of the License, or +# (at your option) any later version. +# +# eXSpy is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +# GNU General Public License for more details. +# +# You should have received a copy of the GNU General Public License +# along with eXSpy. If not, see . + +from pathlib import Path + +import hyperspy.api as hs +import numpy as np + + +TEST_DATA_DIR = Path(__file__).parent + + +def test_restore_EELS_model(tmp_path): + s = hs.load(TEST_DATA_DIR / "coreloss_spectrum.msa", signal_type="EELS") + ll = hs.load(TEST_DATA_DIR / "lowloss_spectrum.msa", signal_type="EELS") + + s.add_elements(("Mn", "O")) + s.set_microscope_parameters( + beam_energy=300, convergence_angle=24.6, collection_angle=13.6 + ) + + m = s.create_model(low_loss=ll) + m.enable_fine_structure() + m.multifit(kind="smart") + + model_name = "fit1" + m.store(model_name) + fname = tmp_path / "test_save_eelsmodel.hspy" + s.save(tmp_path / fname) + m2 = s.models.restore(model_name) + + np.testing.assert_allclose(m.as_signal(), m2.as_signal()) + + s2 = hs.load(fname) + m3 = s2.models.restore(model_name) + np.testing.assert_allclose(m.as_signal(), m3.as_signal()) diff --git a/pyproject.toml b/pyproject.toml index f57cff804..7ac9c9dcf 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -120,7 +120,8 @@ include = ["exspy*"] [tool.setuptools.package-data] "*" = [ "*hspy", - "*.yaml" + "*.yaml", + "*.msa", ] [tool.setuptools_scm]