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Tests: plotter save_irc_traj_animation()
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Lines changed: 13 additions & 1 deletion

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arc/plotter_test.py

Lines changed: 13 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -209,6 +209,16 @@ def test_delete_multi_species_output_file(self):
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self.assertFalse(os.path.isfile(os.path.join(ARC_PATH, 'arc', 'testing', 'acetylene.log')))
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self.assertFalse(os.path.isfile(os.path.join(ARC_PATH, 'arc', 'testing', 'N-Valeric_Acid.log')))
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def test_save_irc_traj_animation(self):
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"""Test the save_irc_traj_animation function"""
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irc_f_path = os.path.join(ARC_PATH, 'arc', 'testing', 'irc', 'rxn_1_irc_1.out')
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irc_r_path = os.path.join(ARC_PATH, 'arc', 'testing', 'irc', 'rxn_1_irc_2.out')
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out_path = os.path.join(ARC_PATH, 'arc', 'testing', 'irc', 'rxn_1_irc_animation.out')
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self.assertFalse(os.path.isfile(out_path))
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plotter.save_irc_traj_animation(irc_f_path, irc_r_path, out_path)
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self.assertTrue(os.path.isfile(out_path))
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@classmethod
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def tearDownClass(cls):
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"""A function that is run ONCE after all unit tests in this class."""
@@ -218,7 +228,9 @@ def tearDownClass(cls):
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files_to_remove = [os.path.join(ARC_PATH, 'arc', 'testing', 'bde_report_test.txt'),
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os.path.join(ARC_PATH, 'arc', 'testing', 'water.log'),
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os.path.join(ARC_PATH, 'arc', 'testing', 'acetylene.log'),
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os.path.join(ARC_PATH, 'arc', 'testing', 'N-Valeric_Acid.log'),]
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os.path.join(ARC_PATH, 'arc', 'testing', 'N-Valeric_Acid.log'),
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os.path.join(ARC_PATH, 'arc', 'testing', 'irc', 'rxn_1_irc_animation.out'),
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]
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for file_path in files_to_remove:
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if os.path.isfile(file_path):
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os.remove(file_path)

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