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Implements More Tests for the DiceInterface Class

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This commit is contained in:
Vitor Hideyoshi
2023-04-25 10:05:18 -03:00
parent 9202331852
commit e9a246812c
7 changed files with 598 additions and 206 deletions
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204
tests/shared/external/test_dice.py vendored
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@@ -1,204 +0,0 @@
from diceplayer.shared.config.step_dto import StepDTO
from diceplayer.shared.interface.dice_interface import DiceInterface
from unittest import mock
import unittest
class TestDice(unittest.TestCase):
def test_class_instantiation(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
self.assertIsInstance(dice, DiceInterface)
def test_configure(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
self.assertFalse(hasattr(dice, 'step'))
dice.configure('test')
self.assertTrue(hasattr(dice, 'step'))
def test_reset(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure('test')
self.assertTrue(hasattr(dice, 'step'))
dice.reset()
self.assertFalse(hasattr(dice, 'step'))
@mock.patch('diceplayer.shared.external.dice.connection')
@mock.patch('diceplayer.shared.external.dice.Process')
def test_start(self, mock_process, mock_connection):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice.start(1)
self.assertTrue(mock_process.called)
self.assertTrue(mock_connection.wait.called)
def test_simulation_process_raises_exception(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
with self.assertRaises(SystemExit):
dice._simulation_process(1, 1)
@mock.patch('diceplayer.shared.external.dice.Dice._make_proc_dir')
@mock.patch('diceplayer.shared.external.dice.Dice._make_dice_inputs')
@mock.patch('diceplayer.shared.external.dice.Dice._run_dice')
def test_simulation_process(self, mock_run_dice, mock_make_dice_inputs, mock_make_proc_dir):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice._simulation_process(1, 1)
self.assertTrue(dice._make_proc_dir.called)
self.assertTrue(dice._make_dice_inputs.called)
self.assertTrue(dice._run_dice.called)
@mock.patch('diceplayer.shared.external.dice.Path.mkdir')
@mock.patch('diceplayer.shared.external.dice.Path.exists')
def test_make_proc_dir_if_simdir_exists(self, mock_path_exists, mock_path_mkdir):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
mock_path_exists.return_value = False
dice._make_proc_dir(1, 1)
self.assertEqual(mock_path_mkdir.call_count, 2)
@mock.patch('diceplayer.shared.external.dice.Path.mkdir')
@mock.patch('diceplayer.shared.external.dice.Path.exists')
def test_make_proc_dir_if_simdir_doesnt_exists(self, mock_path_exists, mock_path_mkdir):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
mock_path_exists.return_value = False
dice._make_proc_dir(1, 1)
self.assertEqual(mock_path_mkdir.call_count, 2)
def test_make_dice_seed(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
seed = dice._make_dice_seed()
self.assertIsInstance(seed, int)
if __name__ == '__main__':
unittest.main()

0
tests/shared/external/__init__.py → tests/shared/interface/__init__.py
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2
tests/shared/interface/test/step01/p01/test Normal file
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@@ -0,0 +1,2 @@
*
0

565
tests/shared/interface/test_dice_interface.py Normal file
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@@ -0,0 +1,565 @@
from diceplayer.shared.interface.dice_interface import DiceInterface
from diceplayer.shared.config.step_dto import StepDTO
from tests.mocks.mock_proc import MockConnection, MockProc
from unittest import mock
import unittest
class TestDiceInterface(unittest.TestCase):
def test_class_instantiation(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
self.assertIsInstance(dice, DiceInterface)
def test_configure(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
self.assertFalse(hasattr(dice, 'step'))
dice.configure('test')
self.assertTrue(hasattr(dice, 'step'))
def test_reset(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure('test')
self.assertTrue(hasattr(dice, 'step'))
dice.reset()
self.assertFalse(hasattr(dice, 'step'))
@mock.patch('diceplayer.shared.interface.dice_interface.Process', MockProc())
@mock.patch('diceplayer.shared.interface.dice_interface.connection', MockConnection)
def test_start(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice.start(1)
@mock.patch('diceplayer.shared.interface.dice_interface.connection', MockConnection)
@mock.patch('diceplayer.shared.interface.dice_interface.Process', MockProc(exitcode=1))
def test_start_with_process_error(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=2,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
with self.assertRaises(SystemExit):
dice.start(1)
def test_simulation_process_raises_exception(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
with self.assertRaises(SystemExit):
dice._simulation_process(1, 1)
@mock.patch('diceplayer.shared.interface.dice_interface.DiceInterface._make_proc_dir')
@mock.patch('diceplayer.shared.interface.dice_interface.DiceInterface._make_dice_inputs')
@mock.patch('diceplayer.shared.interface.dice_interface.DiceInterface._run_dice')
def test_simulation_process(self, mock_run_dice, mock_make_dice_inputs, mock_make_proc_dir):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice._simulation_process(1, 1)
self.assertTrue(dice._make_proc_dir.called)
self.assertTrue(dice._make_dice_inputs.called)
self.assertTrue(dice._run_dice.called)
@mock.patch('diceplayer.shared.interface.dice_interface.Path.mkdir')
@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists')
def test_make_proc_dir_if_simdir_exists(self, mock_path_exists, mock_path_mkdir):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
mock_path_exists.return_value = False
dice._make_proc_dir(1, 1)
self.assertEqual(mock_path_mkdir.call_count, 2)
@mock.patch('diceplayer.shared.interface.dice_interface.Path.mkdir')
@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists')
def test_make_proc_dir_if_simdir_doesnt_exists(self, mock_path_exists, mock_path_mkdir):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
mock_path_exists.return_value = False
dice._make_proc_dir(1, 1)
self.assertEqual(mock_path_mkdir.call_count, 2)
def test_make_dice_seed(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
seed = dice._make_dice_seed()
self.assertIsInstance(seed, int)
def test_make_dice_inputs_nstep_len_two_with_randoninit_first_cycle_one(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice._make_potentials = mock.Mock()
dice._make_init_file = mock.Mock()
dice._new_density = mock.Mock()
dice._make_nvt_ter = mock.Mock()
dice._make_nvt_eq = mock.Mock()
dice._make_npt_ter = mock.Mock()
dice._make_npt_eq = mock.Mock()
dice._make_dice_inputs(1, 1)
self.assertTrue(dice._make_potentials.called)
self.assertFalse(dice._make_init_file.called)
self.assertFalse(dice._new_density.called)
self.assertTrue(dice._make_nvt_ter.called)
self.assertTrue(dice._make_nvt_eq.called)
self.assertFalse(dice._make_npt_ter.called)
self.assertFalse(dice._make_npt_eq.called)
@mock.patch('builtins.open', new_callable=mock.mock_open, read_data='test')
@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists', return_value=True)
def test_make_dice_inputs_nstep_len_two_with_randoninit_first_cycle_two(self, mock_path_exists, mock_open):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice._make_potentials = mock.Mock()
dice._make_init_file = mock.Mock()
dice._new_density = mock.Mock()
dice._make_nvt_ter = mock.Mock()
dice._make_nvt_eq = mock.Mock()
dice._make_npt_ter = mock.Mock()
dice._make_npt_eq = mock.Mock()
dice._make_dice_inputs(2, 1)
self.assertTrue(dice._make_potentials.called)
self.assertTrue(dice._make_init_file.called)
self.assertTrue(dice._new_density.called)
self.assertFalse(dice._make_nvt_ter.called)
self.assertTrue(dice._make_nvt_eq.called)
self.assertFalse(dice._make_npt_ter.called)
self.assertFalse(dice._make_npt_eq.called)
@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists', return_value=False)
def test_make_dice_inputs_raises_exception_on_last_not_found(self, mock_path_exists):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice._make_potentials = mock.Mock()
dice._make_init_file = mock.Mock()
dice._new_density = mock.Mock()
dice._make_nvt_ter = mock.Mock()
dice._make_nvt_eq = mock.Mock()
dice._make_npt_ter = mock.Mock()
dice._make_npt_eq = mock.Mock()
with self.assertRaises(FileNotFoundError):
dice._make_dice_inputs(2, 1)
def test_make_dice_inputs_nstep_len_three_with_randoninit_first_cycle_one(self):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice._make_potentials = mock.Mock()
dice._make_init_file = mock.Mock()
dice._new_density = mock.Mock()
dice._make_nvt_ter = mock.Mock()
dice._make_nvt_eq = mock.Mock()
dice._make_npt_ter = mock.Mock()
dice._make_npt_eq = mock.Mock()
dice._make_dice_inputs(1, 1)
self.assertTrue(dice._make_potentials.called)
self.assertFalse(dice._make_init_file.called)
self.assertFalse(dice._new_density.called)
self.assertTrue(dice._make_nvt_ter.called)
self.assertFalse(dice._make_nvt_eq.called)
self.assertTrue(dice._make_npt_ter.called)
self.assertTrue(dice._make_npt_eq.called)
@mock.patch('diceplayer.shared.interface.dice_interface.os')
@mock.patch('diceplayer.shared.interface.dice_interface.shutil')
@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists', return_value=True)
def test_run_dice_on_first_cycle_run_successful(self, mock_path_exists, mock_shutils, mock_os):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice.run_dice_file = mock.Mock()
dice._run_dice(1, 1)
self.assertTrue(mock_os.getcwd.called)
self.assertTrue(mock_os.chdir.called)
self.assertEqual(dice.run_dice_file.call_count, 3)
self.assertTrue(mock_shutils.copy.called)
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice.run_dice_file = mock.Mock()
dice._run_dice(1, 1)
self.assertTrue(mock_os.getcwd.called)
self.assertTrue(mock_os.chdir.called)
self.assertEqual(dice.run_dice_file.call_count, 2)
self.assertTrue(mock_shutils.copy.called)
@mock.patch('diceplayer.shared.interface.dice_interface.os')
@mock.patch('diceplayer.shared.interface.dice_interface.shutil')
@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists', return_value=True)
def test_run_dice_on_second_cycle_run_successful(self, mock_path_exists, mock_shutils, mock_os):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice.run_dice_file = mock.Mock()
dice._run_dice(2, 1)
self.assertTrue(mock_os.getcwd.called)
self.assertTrue(mock_os.chdir.called)
self.assertEqual(dice.run_dice_file.call_count, 2)
self.assertTrue(mock_shutils.copy.called)
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice.run_dice_file = mock.Mock()
dice._run_dice(2, 1)
self.assertTrue(mock_os.getcwd.called)
self.assertTrue(mock_os.chdir.called)
self.assertEqual(dice.run_dice_file.call_count, 1)
self.assertTrue(mock_shutils.copy.called)
@mock.patch('diceplayer.shared.interface.dice_interface.os')
@mock.patch('diceplayer.shared.interface.dice_interface.shutil')
@mock.patch('diceplayer.shared.interface.dice_interface.Path.exists', return_value=False)
def test_run_dice_on_second_cycle_run_successful(self, mock_path_exists, mock_shutils, mock_os):
dice = DiceInterface(
{
'ljname': 'test',
'outname': 'test',
'ncores': 1,
'dens': 1.0,
'nmol': [1],
'nstep': [1, 1],
}
)
dice.configure(
StepDTO(
ncores=1,
nprocs=1,
simulation_dir='test',
altsteps=1,
molecule=[],
nmol=[],
)
)
dice.run_dice_file = mock.Mock()
with self.assertRaises(FileNotFoundError):
dice._run_dice(1, 1)
if __name__ == '__main__':
unittest.main()