chore: better project structure
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@@ -1,7 +1,7 @@
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from diceplayer import logger
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from diceplayer.config.player_config import PlayerConfig
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from diceplayer.shared.environment.system import System
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from diceplayer.shared.interface.gaussian_interface import GaussianInterface
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from diceplayer.environment import System
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from diceplayer.interface import GaussianInterface
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from tests.mocks.mock_inputs import get_config_example
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import yaml
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@@ -46,8 +46,8 @@ class TestGaussianInterface(unittest.TestCase):
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self.assertFalse(hasattr(gaussian_interface, "step"))
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self.assertFalse(hasattr(gaussian_interface, "system"))
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@mock.patch("diceplayer.shared.interface.gaussian_interface.Path.mkdir")
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@mock.patch("diceplayer.shared.interface.gaussian_interface.Path.exists")
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@mock.patch("diceplayer.interface.gaussian_interface.Path.mkdir")
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@mock.patch("diceplayer.interface.gaussian_interface.Path.exists")
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def test_make_qm_dir(self, mock_exists, mock_mkdir):
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mock_exists.return_value = False
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@@ -59,8 +59,8 @@ class TestGaussianInterface(unittest.TestCase):
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mock_exists.assert_called_once()
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mock_mkdir.assert_called_once()
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@mock.patch("diceplayer.shared.interface.gaussian_interface.shutil.copy")
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@mock.patch("diceplayer.shared.interface.gaussian_interface.Path.exists")
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@mock.patch("diceplayer.interface.gaussian_interface.shutil.copy")
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@mock.patch("diceplayer.interface.gaussian_interface.Path.exists")
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def test_copy_chk_file_from_previous_step(self, mock_exists, mock_copy):
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gaussian_interface = GaussianInterface()
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gaussian_interface.configure(self.config, System())
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@@ -72,8 +72,8 @@ class TestGaussianInterface(unittest.TestCase):
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self.assertTrue(mock_exists.called)
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self.assertTrue(mock_copy.called)
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@mock.patch("diceplayer.shared.interface.gaussian_interface.shutil.copy")
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@mock.patch("diceplayer.shared.interface.gaussian_interface.Path.exists")
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@mock.patch("diceplayer.interface.gaussian_interface.shutil.copy")
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@mock.patch("diceplayer.interface.gaussian_interface.Path.exists")
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def test_copy_chk_file_from_previous_step_no_previous_step(
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self, mock_exists, mock_copy
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):
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@@ -85,8 +85,8 @@ class TestGaussianInterface(unittest.TestCase):
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with self.assertRaises(FileNotFoundError):
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gaussian_interface._copy_chk_file_from_previous_step(2)
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@mock.patch("diceplayer.shared.interface.gaussian_interface.shutil.copy")
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@mock.patch("diceplayer.shared.interface.gaussian_interface.Path.exists")
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@mock.patch("diceplayer.interface.gaussian_interface.shutil.copy")
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@mock.patch("diceplayer.interface.gaussian_interface.Path.exists")
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def test_copy_chk_file_from_previous_step_current_exists(
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self, mock_exists, mock_copy
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):
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