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update test_shakenbreak accordingly
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ireaml committed Sep 6, 2023
1 parent bb76971 commit 5d00fdb
Showing 1 changed file with 5 additions and 0 deletions.
5 changes: 5 additions & 0 deletions tests/test_shakenbreak.py
Original file line number Diff line number Diff line change
Expand Up @@ -77,6 +77,7 @@ def setUp(self):
energy_lowering_distortions.read_defects_directories()
)
self.defect_charges_dict.pop("vac_1_Ti", None) # Used for magnetization tests
self.defect_charges_dict.pop("v_O_s1", None) # Used for magnetization tests

def tearDown(self):
for i in os.listdir():
Expand Down Expand Up @@ -115,6 +116,7 @@ def test_SnB_integration(self):

defect_charges_dict = energy_lowering_distortions.read_defects_directories()
defect_charges_dict.pop("vac_1_Ti", None) # Used for magnetization tests
defect_charges_dict.pop("v_O_s1", None) # Used for magnetization tests

low_energy_defects = (
energy_lowering_distortions.get_energy_lowering_distortions(
Expand Down Expand Up @@ -316,6 +318,7 @@ def test_plot_fake_vac_1_Cd_m2(self):

defect_charges_dict = energy_lowering_distortions.read_defects_directories()
defect_charges_dict.pop("vac_1_Ti", None) # Used for magnetization tests
defect_charges_dict.pop("v_O_s1", None) # Used for magnetization tests

fig_dict = plotting.plot_all_defects(defect_charges_dict, save_format="png")
return fig_dict["vac_1_Cd_-2"]
Expand Down Expand Up @@ -360,6 +363,7 @@ def test_plot_fake_vac_1_Cd_m1(self):

defect_charges_dict = energy_lowering_distortions.read_defects_directories()
defect_charges_dict.pop("vac_1_Ti", None) # Used for magnetization tests
defect_charges_dict.pop("v_O_s1", None) # Used for magnetization tests

fig_dict = plotting.plot_all_defects(defect_charges_dict, save_format="png")
return fig_dict["vac_1_Cd_-1"]
Expand Down Expand Up @@ -406,6 +410,7 @@ def test_plot_fake_vac_1_Cd_0(self):

defect_charges_dict = energy_lowering_distortions.read_defects_directories()
defect_charges_dict.pop("vac_1_Ti", None) # Used for magnetization tests
defect_charges_dict.pop("v_O_s1", None) # Used for magnetization tests

fig_dict = plotting.plot_all_defects(defect_charges_dict, save_format="png")
return fig_dict["vac_1_Cd_0"]
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