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cadenmyers13cadenmyers13
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rm np.float64 requirement from test
1 parent 0e5cc9d commit 6259c38

1 file changed

Lines changed: 104 additions & 104 deletions

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‎tests/test_structure.py‎

Lines changed: 104 additions & 104 deletions
Original file line numberDiff line numberDiff line change
@@ -734,103 +734,103 @@ def test_get_anisotropic_displacement_parameters(datafile, return_array):
734734
else:
735735
expected_displacement = {
736736
# Iodine
737-
"I_8_11": np.float64(0.025),
738-
"I_8_12": np.float64(0.0),
739-
"I_8_13": np.float64(0.0226),
740-
"I_8_22": np.float64(0.0234),
741-
"I_8_23": np.float64(0.0),
742-
"I_8_33": np.float64(0.0345),
743-
"I_9_11": np.float64(0.025),
744-
"I_9_12": np.float64(0.0),
745-
"I_9_13": np.float64(0.0226),
746-
"I_9_22": np.float64(0.0234),
747-
"I_9_23": np.float64(0.0),
748-
"I_9_33": np.float64(0.0345),
749-
"I_10_11": np.float64(0.025),
750-
"I_10_12": np.float64(0.0),
751-
"I_10_13": np.float64(0.0226),
752-
"I_10_22": np.float64(0.0234),
753-
"I_10_23": np.float64(0.0),
754-
"I_10_33": np.float64(0.0345),
755-
"I_11_11": np.float64(0.025),
756-
"I_11_12": np.float64(0.0),
757-
"I_11_13": np.float64(0.0226),
758-
"I_11_22": np.float64(0.0234),
759-
"I_11_23": np.float64(0.0),
760-
"I_11_33": np.float64(0.0345),
761-
"I_12_11": np.float64(0.0234),
762-
"I_12_12": np.float64(0.0),
763-
"I_12_13": np.float64(0.0138),
764-
"I_12_22": np.float64(0.0295),
765-
"I_12_23": np.float64(0.0),
766-
"I_12_33": np.float64(0.0253),
767-
"I_13_11": np.float64(0.0234),
768-
"I_13_12": np.float64(0.0),
769-
"I_13_13": np.float64(0.0138),
770-
"I_13_22": np.float64(0.0295),
771-
"I_13_23": np.float64(0.0),
772-
"I_13_33": np.float64(0.0253),
773-
"I_14_11": np.float64(0.0234),
774-
"I_14_12": np.float64(0.0),
775-
"I_14_13": np.float64(0.0138),
776-
"I_14_22": np.float64(0.0295),
777-
"I_14_23": np.float64(0.0),
778-
"I_14_33": np.float64(0.0253),
779-
"I_15_11": np.float64(0.0234),
780-
"I_15_12": np.float64(0.0),
781-
"I_15_13": np.float64(0.0138),
782-
"I_15_22": np.float64(0.0295),
783-
"I_15_23": np.float64(0.0),
784-
"I_15_33": np.float64(0.0253),
737+
"I_8_11": 0.025,
738+
"I_8_12": 0.0,
739+
"I_8_13": 0.0226,
740+
"I_8_22": 0.0234,
741+
"I_8_23": 0.0,
742+
"I_8_33": 0.0345,
743+
"I_9_11": 0.025,
744+
"I_9_12": 0.0,
745+
"I_9_13": 0.0226,
746+
"I_9_22": 0.0234,
747+
"I_9_23": 0.0,
748+
"I_9_33": 0.0345,
749+
"I_10_11": 0.025,
750+
"I_10_12": 0.0,
751+
"I_10_13": 0.0226,
752+
"I_10_22": 0.0234,
753+
"I_10_23": 0.0,
754+
"I_10_33": 0.0345,
755+
"I_11_11": 0.025,
756+
"I_11_12": 0.0,
757+
"I_11_13": 0.0226,
758+
"I_11_22": 0.0234,
759+
"I_11_23": 0.0,
760+
"I_11_33": 0.0345,
761+
"I_12_11": 0.0234,
762+
"I_12_12": 0.0,
763+
"I_12_13": 0.0138,
764+
"I_12_22": 0.0295,
765+
"I_12_23": 0.0,
766+
"I_12_33": 0.0253,
767+
"I_13_11": 0.0234,
768+
"I_13_12": 0.0,
769+
"I_13_13": 0.0138,
770+
"I_13_22": 0.0295,
771+
"I_13_23": 0.0,
772+
"I_13_33": 0.0253,
773+
"I_14_11": 0.0234,
774+
"I_14_12": 0.0,
775+
"I_14_13": 0.0138,
776+
"I_14_22": 0.0295,
777+
"I_14_23": 0.0,
778+
"I_14_33": 0.0253,
779+
"I_15_11": 0.0234,
780+
"I_15_12": 0.0,
781+
"I_15_13": 0.0138,
782+
"I_15_22": 0.0295,
783+
"I_15_23": 0.0,
784+
"I_15_33": 0.0253,
785785
# Tellurium
786-
"Te_0_11": np.float64(0.0211),
787-
"Te_0_12": np.float64(0.0),
788-
"Te_0_13": np.float64(0.0109),
789-
"Te_0_22": np.float64(0.0195),
790-
"Te_0_23": np.float64(0.0),
791-
"Te_0_33": np.float64(0.016),
792-
"Te_1_11": np.float64(0.0211),
793-
"Te_1_12": np.float64(0.0),
794-
"Te_1_13": np.float64(0.0109),
795-
"Te_1_22": np.float64(0.0195),
796-
"Te_1_23": np.float64(0.0),
797-
"Te_1_33": np.float64(0.016),
798-
"Te_2_11": np.float64(0.0211),
799-
"Te_2_12": np.float64(0.0),
800-
"Te_2_13": np.float64(0.0109),
801-
"Te_2_22": np.float64(0.0195),
802-
"Te_2_23": np.float64(0.0),
803-
"Te_2_33": np.float64(0.016),
804-
"Te_3_11": np.float64(0.0211),
805-
"Te_3_12": np.float64(0.0),
806-
"Te_3_13": np.float64(0.0109),
807-
"Te_3_22": np.float64(0.0195),
808-
"Te_3_23": np.float64(0.0),
809-
"Te_3_33": np.float64(0.016),
810-
"Te_4_11": np.float64(0.0223),
811-
"Te_4_12": np.float64(0.0),
812-
"Te_4_13": np.float64(0.0179),
813-
"Te_4_22": np.float64(0.018),
814-
"Te_4_23": np.float64(0.0),
815-
"Te_4_33": np.float64(0.0254),
816-
"Te_5_11": np.float64(0.0223),
817-
"Te_5_12": np.float64(0.0),
818-
"Te_5_13": np.float64(0.0179),
819-
"Te_5_22": np.float64(0.018),
820-
"Te_5_23": np.float64(0.0),
821-
"Te_5_33": np.float64(0.0254),
822-
"Te_6_11": np.float64(0.0223),
823-
"Te_6_12": np.float64(0.0),
824-
"Te_6_13": np.float64(0.0179),
825-
"Te_6_22": np.float64(0.018),
826-
"Te_6_23": np.float64(0.0),
827-
"Te_6_33": np.float64(0.0254),
828-
"Te_7_11": np.float64(0.0223),
829-
"Te_7_12": np.float64(0.0),
830-
"Te_7_13": np.float64(0.0179),
831-
"Te_7_22": np.float64(0.018),
832-
"Te_7_23": np.float64(0.0),
833-
"Te_7_33": np.float64(0.0254),
786+
"Te_0_11": 0.0211,
787+
"Te_0_12": 0.0,
788+
"Te_0_13": 0.0109,
789+
"Te_0_22": 0.0195,
790+
"Te_0_23": 0.0,
791+
"Te_0_33": 0.016,
792+
"Te_1_11": 0.0211,
793+
"Te_1_12": 0.0,
794+
"Te_1_13": 0.0109,
795+
"Te_1_22": 0.0195,
796+
"Te_1_23": 0.0,
797+
"Te_1_33": 0.016,
798+
"Te_2_11": 0.0211,
799+
"Te_2_12": 0.0,
800+
"Te_2_13": 0.0109,
801+
"Te_2_22": 0.0195,
802+
"Te_2_23": 0.0,
803+
"Te_2_33": 0.016,
804+
"Te_3_11": 0.0211,
805+
"Te_3_12": 0.0,
806+
"Te_3_13": 0.0109,
807+
"Te_3_22": 0.0195,
808+
"Te_3_23": 0.0,
809+
"Te_3_33": 0.016,
810+
"Te_4_11": 0.0223,
811+
"Te_4_12": 0.0,
812+
"Te_4_13": 0.0179,
813+
"Te_4_22": 0.018,
814+
"Te_4_23": 0.0,
815+
"Te_4_33": 0.0254,
816+
"Te_5_11": 0.0223,
817+
"Te_5_12": 0.0,
818+
"Te_5_13": 0.0179,
819+
"Te_5_22": 0.018,
820+
"Te_5_23": 0.0,
821+
"Te_5_33": 0.0254,
822+
"Te_6_11": 0.0223,
823+
"Te_6_12": 0.0,
824+
"Te_6_13": 0.0179,
825+
"Te_6_22": 0.018,
826+
"Te_6_23": 0.0,
827+
"Te_6_33": 0.0254,
828+
"Te_7_11": 0.0223,
829+
"Te_7_12": 0.0,
830+
"Te_7_13": 0.0179,
831+
"Te_7_22": 0.018,
832+
"Te_7_23": 0.0,
833+
"Te_7_33": 0.0254,
834834
}
835835
assert actual_displacement == expected_displacement
836836

@@ -856,14 +856,14 @@ def test_get_isotropic_displacement_parameters(datafile, return_array):
856856
assert np.allclose(actual_isotropic_displacement, expected_isotropic_displacement)
857857
else:
858858
expected_isotropic_displacement = {
859-
"Pb_1_Uiso": np.float64(0.0225566),
860-
"Pb_2_Uiso": np.float64(0.0225566),
861-
"Pb_3_Uiso": np.float64(0.0225566),
862-
"Pb_4_Uiso": np.float64(0.0225566),
863-
"Te_5_Uiso": np.float64(0.0155528),
864-
"Te_6_Uiso": np.float64(0.0155528),
865-
"Te_7_Uiso": np.float64(0.0155528),
866-
"Te_8_Uiso": np.float64(0.0155528),
859+
"Pb_1_Uiso": 0.0225566,
860+
"Pb_2_Uiso": 0.0225566,
861+
"Pb_3_Uiso": 0.0225566,
862+
"Pb_4_Uiso": 0.0225566,
863+
"Te_5_Uiso": 0.0155528,
864+
"Te_6_Uiso": 0.0155528,
865+
"Te_7_Uiso": 0.0155528,
866+
"Te_8_Uiso": 0.0155528,
867867
}
868868
assert actual_isotropic_displacement == expected_isotropic_displacement
869869

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