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tests: Exported has_label checking to XrdPattern
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3 files changed

+21
-30
lines changed

3 files changed

+21
-30
lines changed

tests/t_crystal/t_properties.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -56,4 +56,4 @@ def test_standardize(self):
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if __name__ == "__main__":
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TestCifParsing.execute_all()2
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TestCifParsing.execute_all()

tests/t_labels.py

Lines changed: 0 additions & 19 deletions
Original file line numberDiff line numberDiff line change
@@ -6,25 +6,6 @@
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from xrdpattern.xrd.experiment import ExperimentTensor, LabelType
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from xrdpattern.crystal.examples import CrystalExamples
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class TestPowderExperiment(Unittest):
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def setUp(self):
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cif_content = CrystalExamples.get_cif_content(num=1)
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self.empty_experiment : PowderExperiment = PowderExperiment.make_empty()
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self.full_experiment : PowderExperiment = PowderExperiment.from_cif(cif_content=cif_content)
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self.full_experiment.phases[0].calculate_properties()
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def test_is_empty(self):
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empty_experiment = PowderExperiment.make_empty()
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self.assertTrue(not empty_experiment.is_labeled)
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self.assertTrue(self.full_experiment.is_labeled)
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def test_has_label(self):
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self.assertTrue(not self.empty_experiment.has_label(label_type=LabelType.lattice))
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self.assertTrue(self.full_experiment.has_label(label_type=LabelType.lattice))
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self.assertTrue(self.full_experiment.has_label(label_type=LabelType.basis))
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self.assertTrue(self.full_experiment.has_label(label_type=LabelType.spg))
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class TestTensorization(Unittest):
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def setUp(self):

tests/t_pattern/t_pattern.py

Lines changed: 20 additions & 10 deletions
Original file line numberDiff line numberDiff line change
@@ -8,24 +8,27 @@
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from xrdpattern.parsing import Formats
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from xrdpattern.parsing.examples import DataExamples
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from xrdpattern.pattern import XrdPattern
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from xrdpattern.xrd import PowderExperiment
11+
from xrdpattern.xrd import PowderExperiment, LabelType
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# ---------------------------------------------------------
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class TestXrdPattern(ParserBaseTest):
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def setUp(self):
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self.unlabeled_pattern = XrdPattern.load(fpath=DataExamples.get_bruker_fpath())
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self.labeled_pattern = XrdPattern.load(fpath=DataExamples.get_bruker_fpath())
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self.labeled_pattern.powder_experiment = PowderExperiment.from_cif(cif_content=CrystalExamples.get_cif_content())
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def test_save_load_roundtrip(self):
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unlabeled_pattern = XrdPattern.load(fpath=DataExamples.get_bruker_fpath())
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labeled_pattern = XrdPattern.load(fpath=DataExamples.get_bruker_fpath())
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labeled_pattern.powder_experiment = PowderExperiment.from_cif(cif_content=CrystalExamples.get_cif_content())
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reloaded_unlabeled = self.save_and_load(unlabeled_pattern)
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reloaded_labeled = self.save_and_load(labeled_pattern)
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self.assertEqual(unlabeled_pattern, reloaded_unlabeled)
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self.assertEqual(labeled_pattern, reloaded_labeled)
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print(f'labeled after roundtrip \n:{labeled_pattern.get_info_as_str()[:500]} + '
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f'{labeled_pattern.get_info_as_str()[-500:]}')
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reloaded_unlabeled = self.save_and_load(self.unlabeled_pattern)
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reloaded_labeled = self.save_and_load(self.labeled_pattern)
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self.assertEqual(self.unlabeled_pattern, reloaded_unlabeled)
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self.assertEqual(self.labeled_pattern, reloaded_labeled)
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print(f'labeled after roundtrip \n:{self.labeled_pattern.get_info_as_str()[:500]} + '
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f'{self.labeled_pattern.get_info_as_str()[-500:]}')
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def test_plot(self):
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if self.is_manual_mode:
@@ -73,6 +76,13 @@ def test_get_pattern_data(self):
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plt.tight_layout()
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plt.show()
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79+
def test_has_label(self):
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self.assertTrue(not self.unlabeled_pattern.has_label(label_type=LabelType.lattice))
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self.assertTrue(self.labeled_pattern.has_label(label_type=LabelType.lattice))
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self.assertTrue(self.labeled_pattern.has_label(label_type=LabelType.basis))
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self.assertTrue(self.labeled_pattern.has_label(label_type=LabelType.spg))
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@staticmethod
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def save_and_load(pattern : XrdPattern) -> XrdPattern:
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save_path = os.path.join(tempfile.mkdtemp(), f'pattern.{Formats.aimat_suffix()}')

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