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fix CI error from failing structure comparison
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atomate/feff/workflows/tests/test_exafs_scattering_paths.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -41,7 +41,6 @@ def test_feff_input_sets(self):
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"nkpts": 1000,
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"radius": 10.0,
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"user_tag_settings": {},
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"structure": self.struct.as_dict(),
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}
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ans_fis_fw2 = {
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"@class": "MPEXAFSSet",
@@ -51,13 +50,14 @@ def test_feff_input_sets(self):
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"nkpts": 1000,
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"radius": 10.0,
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"user_tag_settings": {"CONTROL": "0 0 0 0 1 1", "PRINT": "0 0 0 1 0 3"},
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"structure": self.struct.as_dict(),
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}
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fis_fw1 = self.fw1_dict["spec"]["_tasks"][0]["feff_input_set"]
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fis_fw2 = self.fw2_dict["spec"]["_tasks"][1]["feff_input_set"]
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fis_fw1.pop("@version")
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fis_fw2.pop("@version")
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fis_fw1.pop("structure")
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fis_fw2.pop("structure")
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self.assertDictEqual(fis_fw1, ans_fis_fw1)
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self.assertDictEqual(fis_fw2, ans_fis_fw2)

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