Adds Formatter to Project
This commit is contained in:
@@ -1,18 +1,17 @@
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from diceplayer.shared.interface.dice_interface import DiceInterface
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from diceplayer import logger
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from diceplayer.shared.config.player_config import PlayerConfig
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from diceplayer.shared.environment.atom import Atom
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from diceplayer.shared.environment.molecule import Molecule
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from diceplayer.shared.environment.system import System
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from diceplayer.shared.environment.atom import Atom
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from diceplayer import logger
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import yaml
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import io
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from diceplayer.shared.interface.dice_interface import DiceInterface
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from tests.mocks.mock_inputs import get_config_example
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from tests.mocks.mock_proc import MockConnection, MockProc
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from unittest import mock
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import yaml
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import io
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import unittest
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from unittest import mock
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class TestDiceInterface(unittest.TestCase):
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@@ -20,7 +19,7 @@ class TestDiceInterface(unittest.TestCase):
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logger.set_logger(stream=io.StringIO())
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config = yaml.load(get_config_example(), Loader=yaml.Loader)
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self.config = PlayerConfig.from_dict(config['diceplayer'])
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self.config = PlayerConfig.from_dict(config["diceplayer"])
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def test_class_instantiation(self):
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dice = DiceInterface()
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@@ -44,24 +43,26 @@ class TestDiceInterface(unittest.TestCase):
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dice.configure(self.config, System())
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self.assertTrue(hasattr(dice, 'step'))
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self.assertTrue(hasattr(dice, 'system'))
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self.assertTrue(hasattr(dice, "step"))
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self.assertTrue(hasattr(dice, "system"))
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dice.reset()
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self.assertFalse(hasattr(dice, 'step'))
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self.assertFalse(hasattr(dice, 'system'))
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self.assertFalse(hasattr(dice, "step"))
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self.assertFalse(hasattr(dice, "system"))
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@mock.patch('diceplayer.shared.interface.dice_interface.Process', MockProc())
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@mock.patch('diceplayer.shared.interface.dice_interface.connection', MockConnection)
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@mock.patch("diceplayer.shared.interface.dice_interface.Process", MockProc())
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@mock.patch("diceplayer.shared.interface.dice_interface.connection", MockConnection)
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def test_start(self):
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dice = DiceInterface()
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dice.configure(self.config, System())
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dice.start(1)
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@mock.patch('diceplayer.shared.interface.dice_interface.connection', MockConnection)
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@mock.patch('diceplayer.shared.interface.dice_interface.Process', MockProc(exitcode=1))
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@mock.patch("diceplayer.shared.interface.dice_interface.connection", MockConnection)
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@mock.patch(
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"diceplayer.shared.interface.dice_interface.Process", MockProc(exitcode=1)
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)
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def test_start_with_process_error(self):
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dice = DiceInterface()
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dice.configure(self.config, System())
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@@ -75,10 +76,16 @@ class TestDiceInterface(unittest.TestCase):
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with self.assertRaises(SystemExit):
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dice._simulation_process(1, 1)
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@mock.patch('diceplayer.shared.interface.dice_interface.DiceInterface._make_proc_dir')
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@mock.patch('diceplayer.shared.interface.dice_interface.DiceInterface._make_dice_inputs')
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@mock.patch('diceplayer.shared.interface.dice_interface.DiceInterface._run_dice')
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def test_simulation_process(self, mock_run_dice, mock_make_dice_inputs, mock_make_proc_dir):
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@mock.patch(
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"diceplayer.shared.interface.dice_interface.DiceInterface._make_proc_dir"
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)
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@mock.patch(
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"diceplayer.shared.interface.dice_interface.DiceInterface._make_dice_inputs"
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)
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@mock.patch("diceplayer.shared.interface.dice_interface.DiceInterface._run_dice")
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def test_simulation_process(
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self, mock_run_dice, mock_make_dice_inputs, mock_make_proc_dir
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):
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dice = DiceInterface()
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dice._simulation_process(1, 1)
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@@ -87,8 +94,8 @@ class TestDiceInterface(unittest.TestCase):
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self.assertTrue(dice._make_dice_inputs.called)
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self.assertTrue(dice._run_dice.called)
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@mock.patch('diceplayer.shared.interface.dice_interface.Path.mkdir')
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@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists')
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@mock.patch("diceplayer.shared.interface.dice_interface.Path.mkdir")
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@mock.patch("diceplayer.shared.interface.dice_interface.Path.exists")
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def test_make_proc_dir_if_simdir_exists(self, mock_path_exists, mock_path_mkdir):
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dice = DiceInterface()
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dice.configure(self.config, System())
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@@ -99,9 +106,11 @@ class TestDiceInterface(unittest.TestCase):
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self.assertEqual(mock_path_mkdir.call_count, 2)
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@mock.patch('diceplayer.shared.interface.dice_interface.Path.mkdir')
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@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists')
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def test_make_proc_dir_if_simdir_doesnt_exists(self, mock_path_exists, mock_path_mkdir):
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@mock.patch("diceplayer.shared.interface.dice_interface.Path.mkdir")
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@mock.patch("diceplayer.shared.interface.dice_interface.Path.exists")
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def test_make_proc_dir_if_simdir_doesnt_exists(
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self, mock_path_exists, mock_path_mkdir
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):
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dice = DiceInterface()
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dice.configure(self.config, System())
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@@ -145,9 +154,13 @@ class TestDiceInterface(unittest.TestCase):
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self.assertFalse(dice._make_npt_ter.called)
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self.assertFalse(dice._make_npt_eq.called)
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@mock.patch('builtins.open', new_callable=mock.mock_open, read_data='test')
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@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists', return_value=True)
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def test_make_dice_inputs_nstep_len_two_with_randoninit_first_cycle_two(self, mock_path_exists, mock_open):
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@mock.patch("builtins.open", new_callable=mock.mock_open, read_data="test")
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@mock.patch(
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"diceplayer.shared.interface.dice_interface.Path.exists", return_value=True
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)
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def test_make_dice_inputs_nstep_len_two_with_randoninit_first_cycle_two(
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self, mock_path_exists, mock_open
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):
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dice = DiceInterface()
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dice.configure(self.config, System())
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@@ -176,8 +189,12 @@ class TestDiceInterface(unittest.TestCase):
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self.assertFalse(dice._make_npt_ter.called)
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self.assertFalse(dice._make_npt_eq.called)
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@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists', return_value=False)
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def test_make_dice_inputs_raises_exception_on_last_not_found(self, mock_path_exists):
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@mock.patch(
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"diceplayer.shared.interface.dice_interface.Path.exists", return_value=False
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)
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def test_make_dice_inputs_raises_exception_on_last_not_found(
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self, mock_path_exists
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):
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dice = DiceInterface()
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dice.configure(self.config, System())
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@@ -223,10 +240,14 @@ class TestDiceInterface(unittest.TestCase):
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self.assertTrue(dice._make_npt_ter.called)
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self.assertTrue(dice._make_npt_eq.called)
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@mock.patch('diceplayer.shared.interface.dice_interface.os')
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@mock.patch('diceplayer.shared.interface.dice_interface.shutil')
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@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists', return_value=True)
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def test_run_dice_on_first_cycle_run_successful(self, mock_path_exists, mock_shutils, mock_os):
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@mock.patch("diceplayer.shared.interface.dice_interface.os")
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@mock.patch("diceplayer.shared.interface.dice_interface.shutil")
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@mock.patch(
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"diceplayer.shared.interface.dice_interface.Path.exists", return_value=True
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)
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def test_run_dice_on_first_cycle_run_successful(
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self, mock_path_exists, mock_shutils, mock_os
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):
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dice = DiceInterface()
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dice.configure(self.config, System())
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@@ -257,10 +278,14 @@ class TestDiceInterface(unittest.TestCase):
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self.assertEqual(dice.run_dice_file.call_count, 2)
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self.assertTrue(mock_shutils.copy.called)
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@mock.patch('diceplayer.shared.interface.dice_interface.os')
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@mock.patch('diceplayer.shared.interface.dice_interface.shutil')
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@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists', return_value=True)
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def test_run_dice_on_second_cycle_run_successful(self, mock_path_exists, mock_shutils, mock_os):
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@mock.patch("diceplayer.shared.interface.dice_interface.os")
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@mock.patch("diceplayer.shared.interface.dice_interface.shutil")
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@mock.patch(
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"diceplayer.shared.interface.dice_interface.Path.exists", return_value=True
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)
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def test_run_dice_on_second_cycle_run_successful(
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self, mock_path_exists, mock_shutils, mock_os
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):
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dice = DiceInterface()
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dice.configure(self.config, System())
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@@ -287,10 +312,14 @@ class TestDiceInterface(unittest.TestCase):
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self.assertEqual(dice.run_dice_file.call_count, 1)
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self.assertTrue(mock_shutils.copy.called)
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@mock.patch('diceplayer.shared.interface.dice_interface.os')
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@mock.patch('diceplayer.shared.interface.dice_interface.shutil')
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@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists', return_value=False)
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def test_run_dice_on_second_cycle_run_successful(self, mock_path_exists, mock_shutils, mock_os):
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@mock.patch("diceplayer.shared.interface.dice_interface.os")
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@mock.patch("diceplayer.shared.interface.dice_interface.shutil")
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@mock.patch(
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"diceplayer.shared.interface.dice_interface.Path.exists", return_value=False
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)
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def test_run_dice_on_second_cycle_run_successful(
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self, mock_path_exists, mock_shutils, mock_os
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):
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dice = DiceInterface()
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dice.configure(self.config, System())
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@@ -299,7 +328,7 @@ class TestDiceInterface(unittest.TestCase):
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with self.assertRaises(FileNotFoundError):
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dice._run_dice(1, 1)
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@mock.patch('builtins.open', new_callable=mock.mock_open)
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@mock.patch("builtins.open", new_callable=mock.mock_open)
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def test_make_init_file(self, mock_open):
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example_atom = Atom(
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lbl=1,
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@@ -312,10 +341,10 @@ class TestDiceInterface(unittest.TestCase):
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sig=1.0,
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)
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main_molecule = Molecule('main_molecule')
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main_molecule = Molecule("main_molecule")
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main_molecule.add_atom(example_atom)
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secondary_molecule = Molecule('secondary_molecule')
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secondary_molecule = Molecule("secondary_molecule")
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secondary_molecule.add_atom(example_atom)
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system = System()
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@@ -328,15 +357,17 @@ class TestDiceInterface(unittest.TestCase):
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dice.step.dice.nmol = [1, 1]
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last_xyz_file = io.StringIO()
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last_xyz_file.writelines([
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' TEST\n',
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' Configuration number : TEST = TEST TEST TEST\n',
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' H 1.00000 1.00000 1.00000\n',
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' H 1.00000 1.00000 1.00000\n',
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])
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last_xyz_file.writelines(
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[
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" TEST\n",
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" Configuration number : TEST = TEST TEST TEST\n",
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" H 1.00000 1.00000 1.00000\n",
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" H 1.00000 1.00000 1.00000\n",
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]
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)
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last_xyz_file.seek(0)
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dice._make_init_file('test', last_xyz_file)
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dice._make_init_file("test", last_xyz_file)
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mock_handler = mock_open()
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calls = mock_handler.write.call_args_list
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@@ -344,14 +375,14 @@ class TestDiceInterface(unittest.TestCase):
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lines = list(map(lambda x: x[0][0], calls))
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expected_lines = [
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' 1.000000 1.000000 1.000000\n',
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' 1.000000 1.000000 1.000000\n',
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'$end'
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" 1.000000 1.000000 1.000000\n",
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" 1.000000 1.000000 1.000000\n",
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"$end",
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]
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self.assertEqual(lines, expected_lines)
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@mock.patch('builtins.open', new_callable=mock.mock_open)
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@mock.patch("builtins.open", new_callable=mock.mock_open)
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def test_new_density(self, mock_open):
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example_atom = Atom(
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lbl=1,
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@@ -364,10 +395,10 @@ class TestDiceInterface(unittest.TestCase):
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sig=1.0,
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)
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main_molecule = Molecule('main_molecule')
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main_molecule = Molecule("main_molecule")
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main_molecule.add_atom(example_atom)
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secondary_molecule = Molecule('secondary_molecule')
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secondary_molecule = Molecule("secondary_molecule")
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secondary_molecule.add_atom(example_atom)
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system = System()
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@@ -378,95 +409,166 @@ class TestDiceInterface(unittest.TestCase):
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dice.configure(self.config, system)
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last_xyz_file = io.StringIO()
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last_xyz_file.writelines([
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' TEST\n',
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' Configuration number : TEST = 1 1 1\n',
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' H 1.00000 1.00000 1.00000\n',
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' H 1.00000 1.00000 1.00000\n',
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])
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last_xyz_file.writelines(
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[
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" TEST\n",
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" Configuration number : TEST = 1 1 1\n",
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" H 1.00000 1.00000 1.00000\n",
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" H 1.00000 1.00000 1.00000\n",
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]
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)
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last_xyz_file.seek(0)
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density = dice._new_density(last_xyz_file)
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self.assertEqual(density, 85.35451545000001)
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@mock.patch('builtins.open', new_callable=mock.mock_open)
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@mock.patch('diceplayer.shared.interface.dice_interface.random')
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@mock.patch("builtins.open", new_callable=mock.mock_open)
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@mock.patch("diceplayer.shared.interface.dice_interface.random")
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def test_make_nvt_ter(self, mock_random, mock_open):
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mock_random.random.return_value = 1
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dice = DiceInterface()
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dice.configure(self.config, System())
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dice._make_nvt_ter(1, 'test')
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dice._make_nvt_ter(1, "test")
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mock_handler = mock_open()
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calls = mock_handler.write.call_args_list
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lines = list(map(lambda x: x[0][0], calls))
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expected_lines = ['title = Diceplayer run - NVT Thermalization\n', 'ncores = 4\n', 'ljname = phb.ljc\n', 'outname = phb\n', 'nmol = 1 50\n', 'dens = 0.75\n', 'temp = 300.0\n', 'init = yes\n', 'nstep = 2000\n', 'vstep = 0\n', 'mstop = 1\n', 'accum = no\n', 'iprint = 1\n', 'isave = 0\n', 'irdf = 0\n', 'seed = 1000000\n', 'upbuf = 360']
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expected_lines = [
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"title = Diceplayer run - NVT Thermalization\n",
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"ncores = 4\n",
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"ljname = phb.ljc\n",
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"outname = phb\n",
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"nmol = 1 50\n",
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"dens = 0.75\n",
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"temp = 300.0\n",
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"init = yes\n",
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"nstep = 2000\n",
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"vstep = 0\n",
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"mstop = 1\n",
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"accum = no\n",
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"iprint = 1\n",
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"isave = 0\n",
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"irdf = 0\n",
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"seed = 1000000\n",
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"upbuf = 360",
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]
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self.assertEqual(lines, expected_lines)
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@mock.patch('builtins.open', new_callable=mock.mock_open)
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@mock.patch('diceplayer.shared.interface.dice_interface.random')
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@mock.patch("builtins.open", new_callable=mock.mock_open)
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@mock.patch("diceplayer.shared.interface.dice_interface.random")
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def test_make_nvt_eq(self, mock_random, mock_open):
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mock_random.random.return_value = 1
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dice = DiceInterface()
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dice.configure(self.config, System())
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dice._make_nvt_eq(1, 'test')
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dice._make_nvt_eq(1, "test")
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mock_handler = mock_open()
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calls = mock_handler.write.call_args_list
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lines = list(map(lambda x: x[0][0], calls))
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expected_lines = ['title = Diceplayer run - NVT Production\n', 'ncores = 4\n', 'ljname = phb.ljc\n', 'outname = phb\n', 'nmol = 1 50\n', 'dens = 0.75\n', 'temp = 300.0\n', 'init = no\n', 'nstep = 3000\n', 'vstep = 0\n', 'mstop = 1\n', 'accum = no\n', 'iprint = 1\n', 'isave = 1000\n', 'irdf = 40\n', 'seed = 1000000\n']
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expected_lines = [
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"title = Diceplayer run - NVT Production\n",
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"ncores = 4\n",
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"ljname = phb.ljc\n",
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"outname = phb\n",
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"nmol = 1 50\n",
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"dens = 0.75\n",
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"temp = 300.0\n",
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"init = no\n",
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"nstep = 3000\n",
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"vstep = 0\n",
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"mstop = 1\n",
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"accum = no\n",
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"iprint = 1\n",
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"isave = 1000\n",
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"irdf = 40\n",
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"seed = 1000000\n",
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]
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self.assertEqual(lines, expected_lines)
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||||
@mock.patch('builtins.open', new_callable=mock.mock_open)
|
||||
@mock.patch('diceplayer.shared.interface.dice_interface.random')
|
||||
@mock.patch("builtins.open", new_callable=mock.mock_open)
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||||
@mock.patch("diceplayer.shared.interface.dice_interface.random")
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||||
def test_make_npt_ter(self, mock_random, mock_open):
|
||||
mock_random.random.return_value = 1
|
||||
|
||||
dice = DiceInterface()
|
||||
dice.configure(self.config, System())
|
||||
|
||||
dice._make_npt_ter(1, 'test')
|
||||
dice._make_npt_ter(1, "test")
|
||||
|
||||
mock_handler = mock_open()
|
||||
calls = mock_handler.write.call_args_list
|
||||
|
||||
lines = list(map(lambda x: x[0][0], calls))
|
||||
|
||||
expected_lines = ['title = Diceplayer run - NPT Thermalization\n', 'ncores = 4\n', 'ljname = phb.ljc\n', 'outname = phb\n', 'nmol = 1 50\n', 'press = 1.0\n', 'temp = 300.0\n', 'init = no\n', 'vstep = 600\n', 'nstep = 5\n', 'mstop = 1\n', 'accum = no\n', 'iprint = 1\n', 'isave = 0\n', 'irdf = 0\n', 'seed = 1000000\n']
|
||||
expected_lines = [
|
||||
"title = Diceplayer run - NPT Thermalization\n",
|
||||
"ncores = 4\n",
|
||||
"ljname = phb.ljc\n",
|
||||
"outname = phb\n",
|
||||
"nmol = 1 50\n",
|
||||
"press = 1.0\n",
|
||||
"temp = 300.0\n",
|
||||
"init = no\n",
|
||||
"vstep = 600\n",
|
||||
"nstep = 5\n",
|
||||
"mstop = 1\n",
|
||||
"accum = no\n",
|
||||
"iprint = 1\n",
|
||||
"isave = 0\n",
|
||||
"irdf = 0\n",
|
||||
"seed = 1000000\n",
|
||||
]
|
||||
|
||||
self.assertEqual(lines, expected_lines)
|
||||
|
||||
@mock.patch('builtins.open', new_callable=mock.mock_open)
|
||||
@mock.patch('diceplayer.shared.interface.dice_interface.random')
|
||||
@mock.patch("builtins.open", new_callable=mock.mock_open)
|
||||
@mock.patch("diceplayer.shared.interface.dice_interface.random")
|
||||
def test_make_npt_eq(self, mock_random, mock_open):
|
||||
mock_random.random.return_value = 1
|
||||
|
||||
dice = DiceInterface()
|
||||
dice.configure(self.config, System())
|
||||
|
||||
dice._make_npt_eq('test')
|
||||
dice._make_npt_eq("test")
|
||||
|
||||
mock_handler = mock_open()
|
||||
calls = mock_handler.write.call_args_list
|
||||
|
||||
lines = list(map(lambda x: x[0][0], calls))
|
||||
|
||||
expected_lines = ['title = Diceplayer run - NPT Production\n', 'ncores = 4\n', 'ljname = phb.ljc\n', 'outname = phb\n', 'nmol = 1 50\n', 'press = 1.0\n', 'temp = 300.0\n', 'nstep = 5\n', 'vstep = 800\n', 'init = no\n', 'mstop = 1\n', 'accum = no\n', 'iprint = 1\n', 'isave = 1000\n', 'irdf = 40\n', 'seed = 1000000\n']
|
||||
expected_lines = [
|
||||
"title = Diceplayer run - NPT Production\n",
|
||||
"ncores = 4\n",
|
||||
"ljname = phb.ljc\n",
|
||||
"outname = phb\n",
|
||||
"nmol = 1 50\n",
|
||||
"press = 1.0\n",
|
||||
"temp = 300.0\n",
|
||||
"nstep = 5\n",
|
||||
"vstep = 800\n",
|
||||
"init = no\n",
|
||||
"mstop = 1\n",
|
||||
"accum = no\n",
|
||||
"iprint = 1\n",
|
||||
"isave = 1000\n",
|
||||
"irdf = 40\n",
|
||||
"seed = 1000000\n",
|
||||
]
|
||||
|
||||
self.assertEqual(lines, expected_lines)
|
||||
|
||||
@mock.patch('builtins.open', new_callable=mock.mock_open)
|
||||
@mock.patch("builtins.open", new_callable=mock.mock_open)
|
||||
def test_make_potentials(self, mock_open):
|
||||
example_atom = Atom(
|
||||
lbl=1,
|
||||
@@ -479,10 +581,10 @@ class TestDiceInterface(unittest.TestCase):
|
||||
sig=1.0,
|
||||
)
|
||||
|
||||
main_molecule = Molecule('main_molecule')
|
||||
main_molecule = Molecule("main_molecule")
|
||||
main_molecule.add_atom(example_atom)
|
||||
|
||||
secondary_molecule = Molecule('secondary_molecule')
|
||||
secondary_molecule = Molecule("secondary_molecule")
|
||||
secondary_molecule.add_atom(example_atom)
|
||||
|
||||
system = System()
|
||||
@@ -492,49 +594,68 @@ class TestDiceInterface(unittest.TestCase):
|
||||
dice = DiceInterface()
|
||||
dice.configure(self.config, system)
|
||||
|
||||
dice._make_potentials('test')
|
||||
dice._make_potentials("test")
|
||||
|
||||
mock_handler = mock_open()
|
||||
calls = mock_handler.write.call_args_list
|
||||
|
||||
lines = list(map(lambda x: x[0][0], calls))
|
||||
|
||||
expected_lines = ['*\n', '2\n', '1 main_molecule\n', '1 1 1.00000 1.00000 1.00000 1.000000 1.00000 1.0000\n', '1 secondary_molecule\n', '1 1 1.00000 1.00000 1.00000 1.000000 1.00000 1.0000\n']
|
||||
expected_lines = [
|
||||
"*\n",
|
||||
"2\n",
|
||||
"1 main_molecule\n",
|
||||
"1 1 1.00000 1.00000 1.00000 1.000000 1.00000 1.0000\n",
|
||||
"1 secondary_molecule\n",
|
||||
"1 1 1.00000 1.00000 1.00000 1.000000 1.00000 1.0000\n",
|
||||
]
|
||||
|
||||
self.assertEqual(lines, expected_lines)
|
||||
|
||||
@mock.patch('diceplayer.shared.interface.dice_interface.subprocess')
|
||||
@mock.patch('builtins.open', new_callable=mock.mock_open, read_data='End of simulation\nBLABLA')
|
||||
@mock.patch("diceplayer.shared.interface.dice_interface.subprocess")
|
||||
@mock.patch(
|
||||
"builtins.open",
|
||||
new_callable=mock.mock_open,
|
||||
read_data="End of simulation\nBLABLA",
|
||||
)
|
||||
def test_run_dice_file(self, mock_open, mock_subprocess):
|
||||
mock_subprocess.call.return_value = 0
|
||||
dice = DiceInterface()
|
||||
dice.configure(self.config, System())
|
||||
|
||||
dice.run_dice_file(1, 1, 'test')
|
||||
dice.run_dice_file(1, 1, "test")
|
||||
|
||||
self.assertTrue(mock_subprocess.call.called)
|
||||
self.assertTrue(mock_open.called)
|
||||
|
||||
@mock.patch('diceplayer.shared.interface.dice_interface.subprocess')
|
||||
@mock.patch('builtins.open', new_callable=mock.mock_open, read_data='Error\nBLABLA')
|
||||
def test_run_dice_file_raises_runtime_error_on_dice_file(self, mock_open, mock_subprocess):
|
||||
@mock.patch("diceplayer.shared.interface.dice_interface.subprocess")
|
||||
@mock.patch("builtins.open", new_callable=mock.mock_open, read_data="Error\nBLABLA")
|
||||
def test_run_dice_file_raises_runtime_error_on_dice_file(
|
||||
self, mock_open, mock_subprocess
|
||||
):
|
||||
mock_subprocess.call.return_value = 0
|
||||
dice = DiceInterface()
|
||||
dice.configure(self.config, System())
|
||||
|
||||
with self.assertRaises(RuntimeError):
|
||||
dice.run_dice_file(1, 1, 'test')
|
||||
dice.run_dice_file(1, 1, "test")
|
||||
|
||||
@mock.patch('diceplayer.shared.interface.dice_interface.subprocess')
|
||||
@mock.patch('builtins.open', new_callable=mock.mock_open, read_data='End of simulation\nBLABLA')
|
||||
def test_run_dice_file_raises_runtime_error_of_dice_exit_code(self, mock_open, mock_subprocess):
|
||||
@mock.patch("diceplayer.shared.interface.dice_interface.subprocess")
|
||||
@mock.patch(
|
||||
"builtins.open",
|
||||
new_callable=mock.mock_open,
|
||||
read_data="End of simulation\nBLABLA",
|
||||
)
|
||||
def test_run_dice_file_raises_runtime_error_of_dice_exit_code(
|
||||
self, mock_open, mock_subprocess
|
||||
):
|
||||
mock_subprocess.call.return_value = 1
|
||||
dice = DiceInterface()
|
||||
dice.configure(self.config, System())
|
||||
|
||||
with self.assertRaises(RuntimeError):
|
||||
dice.run_dice_file(1, 1, 'test')
|
||||
dice.run_dice_file(1, 1, "test")
|
||||
|
||||
|
||||
if __name__ == '__main__':
|
||||
if __name__ == "__main__":
|
||||
unittest.main()
|
||||
|
||||
@@ -1,16 +1,14 @@
|
||||
from diceplayer.shared.interface.gaussian_interface import GaussianInterface
|
||||
from diceplayer import logger
|
||||
from diceplayer.shared.config.player_config import PlayerConfig
|
||||
from diceplayer.shared.environment.system import System
|
||||
from diceplayer import logger
|
||||
|
||||
from diceplayer.shared.interface.gaussian_interface import GaussianInterface
|
||||
from tests.mocks.mock_inputs import get_config_example
|
||||
|
||||
import yaml
|
||||
|
||||
import io
|
||||
|
||||
|
||||
from unittest import mock
|
||||
import unittest
|
||||
from unittest import mock
|
||||
|
||||
|
||||
class TestGaussianInterface(unittest.TestCase):
|
||||
@@ -18,7 +16,7 @@ class TestGaussianInterface(unittest.TestCase):
|
||||
logger.set_logger(stream=io.StringIO())
|
||||
|
||||
config = yaml.load(get_config_example(), Loader=yaml.Loader)
|
||||
self.config = PlayerConfig.from_dict(config['diceplayer'])
|
||||
self.config = PlayerConfig.from_dict(config["diceplayer"])
|
||||
|
||||
def test_class_instantiation(self):
|
||||
gaussian_interface = GaussianInterface()
|
||||
@@ -45,11 +43,11 @@ class TestGaussianInterface(unittest.TestCase):
|
||||
|
||||
gaussian_interface.reset()
|
||||
|
||||
self.assertFalse(hasattr(gaussian_interface, 'step'))
|
||||
self.assertFalse(hasattr(gaussian_interface, 'system'))
|
||||
self.assertFalse(hasattr(gaussian_interface, "step"))
|
||||
self.assertFalse(hasattr(gaussian_interface, "system"))
|
||||
|
||||
@mock.patch('diceplayer.shared.interface.gaussian_interface.Path.mkdir')
|
||||
@mock.patch('diceplayer.shared.interface.gaussian_interface.Path.exists')
|
||||
@mock.patch("diceplayer.shared.interface.gaussian_interface.Path.mkdir")
|
||||
@mock.patch("diceplayer.shared.interface.gaussian_interface.Path.exists")
|
||||
def test_make_qm_dir(self, mock_exists, mock_mkdir):
|
||||
mock_exists.return_value = False
|
||||
|
||||
@@ -61,8 +59,8 @@ class TestGaussianInterface(unittest.TestCase):
|
||||
mock_exists.assert_called_once()
|
||||
mock_mkdir.assert_called_once()
|
||||
|
||||
@mock.patch('diceplayer.shared.interface.gaussian_interface.shutil.copy')
|
||||
@mock.patch('diceplayer.shared.interface.gaussian_interface.Path.exists')
|
||||
@mock.patch("diceplayer.shared.interface.gaussian_interface.shutil.copy")
|
||||
@mock.patch("diceplayer.shared.interface.gaussian_interface.Path.exists")
|
||||
def test_copy_chk_file_from_previous_step(self, mock_exists, mock_copy):
|
||||
gaussian_interface = GaussianInterface()
|
||||
gaussian_interface.configure(self.config, System())
|
||||
@@ -74,9 +72,11 @@ class TestGaussianInterface(unittest.TestCase):
|
||||
self.assertTrue(mock_exists.called)
|
||||
self.assertTrue(mock_copy.called)
|
||||
|
||||
@mock.patch('diceplayer.shared.interface.gaussian_interface.shutil.copy')
|
||||
@mock.patch('diceplayer.shared.interface.gaussian_interface.Path.exists')
|
||||
def test_copy_chk_file_from_previous_step_no_previous_step(self, mock_exists, mock_copy):
|
||||
@mock.patch("diceplayer.shared.interface.gaussian_interface.shutil.copy")
|
||||
@mock.patch("diceplayer.shared.interface.gaussian_interface.Path.exists")
|
||||
def test_copy_chk_file_from_previous_step_no_previous_step(
|
||||
self, mock_exists, mock_copy
|
||||
):
|
||||
gaussian_interface = GaussianInterface()
|
||||
gaussian_interface.configure(self.config, System())
|
||||
|
||||
@@ -85,9 +85,11 @@ class TestGaussianInterface(unittest.TestCase):
|
||||
with self.assertRaises(FileNotFoundError):
|
||||
gaussian_interface._copy_chk_file_from_previous_step(2)
|
||||
|
||||
@mock.patch('diceplayer.shared.interface.gaussian_interface.shutil.copy')
|
||||
@mock.patch('diceplayer.shared.interface.gaussian_interface.Path.exists')
|
||||
def test_copy_chk_file_from_previous_step_current_exists(self, mock_exists, mock_copy):
|
||||
@mock.patch("diceplayer.shared.interface.gaussian_interface.shutil.copy")
|
||||
@mock.patch("diceplayer.shared.interface.gaussian_interface.Path.exists")
|
||||
def test_copy_chk_file_from_previous_step_current_exists(
|
||||
self, mock_exists, mock_copy
|
||||
):
|
||||
gaussian_interface = GaussianInterface()
|
||||
gaussian_interface.configure(self.config, System())
|
||||
|
||||
@@ -109,5 +111,5 @@ class TestGaussianInterface(unittest.TestCase):
|
||||
# gaussian_interface._copy_chk_file_from_previous_step.assert_called_once_with(2)
|
||||
|
||||
|
||||
if __name__ == '__main__':
|
||||
if __name__ == "__main__":
|
||||
unittest.main()
|
||||
|
||||
Reference in New Issue
Block a user