HideyoshiNakazone/DicePlayer
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chore: better project structure

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This commit is contained in:
Vitor Hideyoshi
2026-02-26 18:02:50 -03:00
parent 5d76e49f89
commit cb4b21ab6c
25 changed files with 102 additions and 96 deletions
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2
tests/shared/environment/test_atom.py
View File

@@ -1,4 +1,4 @@
from diceplayer.shared.environment.atom import Atom
from diceplayer.environment import Atom
import unittest

3
tests/shared/environment/test_molecule.py
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@@ -1,5 +1,4 @@
from diceplayer.shared.environment.atom import Atom
from diceplayer.shared.environment.molecule import Molecule
from diceplayer.environment import Atom, Molecule
import numpy as np
import numpy.testing as npt

3
tests/shared/environment/test_system.py
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@@ -1,5 +1,4 @@
from diceplayer.shared.environment.molecule import Molecule
from diceplayer.shared.environment.system import System
from diceplayer.environment import Molecule, System
import unittest

80
tests/shared/interface/test_dice_interface.py
View File

@@ -1,9 +1,7 @@
from diceplayer import logger
from diceplayer.config.player_config import PlayerConfig
from diceplayer.shared.environment.atom import Atom
from diceplayer.shared.environment.molecule import Molecule
from diceplayer.shared.environment.system import System
from diceplayer.shared.interface.dice_interface import DiceInterface
from diceplayer.environment import Atom, Molecule, System
from diceplayer.interface import DiceInterface
from tests.mocks.mock_inputs import get_config_example
from tests.mocks.mock_proc import MockConnection, MockProc
@@ -51,18 +49,16 @@ class TestDiceInterface(unittest.TestCase):
self.assertFalse(hasattr(dice, "step"))
self.assertFalse(hasattr(dice, "system"))
@mock.patch("diceplayer.shared.interface.dice_interface.Process", MockProc())
@mock.patch("diceplayer.shared.interface.dice_interface.connection", MockConnection)
@mock.patch("diceplayer.interface.dice_interface.Process", MockProc())
@mock.patch("diceplayer.interface.dice_interface.connection", MockConnection)
def test_start(self):
dice = DiceInterface()
dice.configure(self.config, System())
dice.start(1)
@mock.patch("diceplayer.shared.interface.dice_interface.connection", MockConnection)
@mock.patch(
"diceplayer.shared.interface.dice_interface.Process", MockProc(exitcode=1)
)
@mock.patch("diceplayer.interface.dice_interface.connection", MockConnection)
@mock.patch("diceplayer.interface.dice_interface.Process", MockProc(exitcode=1))
def test_start_with_process_error(self):
dice = DiceInterface()
dice.configure(self.config, System())
@@ -76,13 +72,9 @@ class TestDiceInterface(unittest.TestCase):
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")
@mock.patch("diceplayer.interface.dice_interface.DiceInterface._make_proc_dir")
@mock.patch("diceplayer.interface.dice_interface.DiceInterface._make_dice_inputs")
@mock.patch("diceplayer.interface.dice_interface.DiceInterface._run_dice")
def test_simulation_process(
self, mock_run_dice, mock_make_dice_inputs, mock_make_proc_dir
):
@@ -94,8 +86,8 @@ class TestDiceInterface(unittest.TestCase):
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")
@mock.patch("diceplayer.interface.dice_interface.Path.mkdir")
@mock.patch("diceplayer.interface.dice_interface.Path.exists")
def test_make_proc_dir_if_simdir_exists(self, mock_path_exists, mock_path_mkdir):
dice = DiceInterface()
dice.configure(self.config, System())
@@ -106,8 +98,8 @@ class TestDiceInterface(unittest.TestCase):
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")
@mock.patch("diceplayer.interface.dice_interface.Path.mkdir")
@mock.patch("diceplayer.interface.dice_interface.Path.exists")
def test_make_proc_dir_if_simdir_doesnt_exists(
self, mock_path_exists, mock_path_mkdir
):
@@ -155,9 +147,7 @@ class TestDiceInterface(unittest.TestCase):
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
)
@mock.patch("diceplayer.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
):
@@ -189,9 +179,7 @@ class TestDiceInterface(unittest.TestCase):
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
)
@mock.patch("diceplayer.interface.dice_interface.Path.exists", return_value=False)
def test_make_dice_inputs_raises_exception_on_last_not_found(
self, mock_path_exists
):
@@ -240,11 +228,9 @@ class TestDiceInterface(unittest.TestCase):
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
)
@mock.patch("diceplayer.interface.dice_interface.os")
@mock.patch("diceplayer.interface.dice_interface.shutil")
@mock.patch("diceplayer.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
):
@@ -278,11 +264,9 @@ class TestDiceInterface(unittest.TestCase):
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
)
@mock.patch("diceplayer.interface.dice_interface.os")
@mock.patch("diceplayer.interface.dice_interface.shutil")
@mock.patch("diceplayer.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
):
@@ -312,11 +296,9 @@ class TestDiceInterface(unittest.TestCase):
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=False
)
@mock.patch("diceplayer.interface.dice_interface.os")
@mock.patch("diceplayer.interface.dice_interface.shutil")
@mock.patch("diceplayer.interface.dice_interface.Path.exists", return_value=False)
def test_run_dice_raises_filenotfound_on_invalid_file(
self, mock_path_exists, mock_shutils, mock_os
):
@@ -424,7 +406,7 @@ class TestDiceInterface(unittest.TestCase):
self.assertEqual(density, 85.35451545000001)
@mock.patch("builtins.open", new_callable=mock.mock_open)
@mock.patch("diceplayer.shared.interface.dice_interface.random")
@mock.patch("diceplayer.interface.dice_interface.random")
def test_make_nvt_ter(self, mock_random, mock_open):
mock_random.random.return_value = 1
@@ -461,7 +443,7 @@ class TestDiceInterface(unittest.TestCase):
self.assertEqual(lines, expected_lines)
@mock.patch("builtins.open", new_callable=mock.mock_open)
@mock.patch("diceplayer.shared.interface.dice_interface.random")
@mock.patch("diceplayer.interface.dice_interface.random")
def test_make_nvt_eq(self, mock_random, mock_open):
mock_random.random.return_value = 1
@@ -497,7 +479,7 @@ class TestDiceInterface(unittest.TestCase):
self.assertEqual(lines, expected_lines)
@mock.patch("builtins.open", new_callable=mock.mock_open)
@mock.patch("diceplayer.shared.interface.dice_interface.random")
@mock.patch("diceplayer.interface.dice_interface.random")
def test_make_npt_ter(self, mock_random, mock_open):
mock_random.random.return_value = 1
@@ -533,7 +515,7 @@ class TestDiceInterface(unittest.TestCase):
self.assertEqual(lines, expected_lines)
@mock.patch("builtins.open", new_callable=mock.mock_open)
@mock.patch("diceplayer.shared.interface.dice_interface.random")
@mock.patch("diceplayer.interface.dice_interface.random")
def test_make_npt_eq(self, mock_random, mock_open):
mock_random.random.return_value = 1
@@ -612,7 +594,7 @@ class TestDiceInterface(unittest.TestCase):
self.assertEqual(lines, expected_lines)
@mock.patch("diceplayer.shared.interface.dice_interface.subprocess")
@mock.patch("diceplayer.interface.dice_interface.subprocess")
@mock.patch(
"builtins.open",
new_callable=mock.mock_open,
@@ -628,7 +610,7 @@ class TestDiceInterface(unittest.TestCase):
self.assertTrue(mock_subprocess.call.called)
self.assertTrue(mock_open.called)
@mock.patch("diceplayer.shared.interface.dice_interface.subprocess")
@mock.patch("diceplayer.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
@@ -640,7 +622,7 @@ class TestDiceInterface(unittest.TestCase):
with self.assertRaises(RuntimeError):
dice.run_dice_file(1, 1, "test")
@mock.patch("diceplayer.shared.interface.dice_interface.subprocess")
@mock.patch("diceplayer.interface.dice_interface.subprocess")
@mock.patch(
"builtins.open",
new_callable=mock.mock_open,

20
tests/shared/interface/test_gaussian_interface.py
View File

@@ -1,7 +1,7 @@
from diceplayer import logger
from diceplayer.config.player_config import PlayerConfig
from diceplayer.shared.environment.system import System
from diceplayer.shared.interface.gaussian_interface import GaussianInterface
from diceplayer.environment import System
from diceplayer.interface import GaussianInterface
from tests.mocks.mock_inputs import get_config_example
import yaml
@@ -46,8 +46,8 @@ class TestGaussianInterface(unittest.TestCase):
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.interface.gaussian_interface.Path.mkdir")
@mock.patch("diceplayer.interface.gaussian_interface.Path.exists")
def test_make_qm_dir(self, mock_exists, mock_mkdir):
mock_exists.return_value = False
@@ -59,8 +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.interface.gaussian_interface.shutil.copy")
@mock.patch("diceplayer.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())
@@ -72,8 +72,8 @@ 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")
@mock.patch("diceplayer.interface.gaussian_interface.shutil.copy")
@mock.patch("diceplayer.interface.gaussian_interface.Path.exists")
def test_copy_chk_file_from_previous_step_no_previous_step(
self, mock_exists, mock_copy
):
@@ -85,8 +85,8 @@ 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")
@mock.patch("diceplayer.interface.gaussian_interface.shutil.copy")
@mock.patch("diceplayer.interface.gaussian_interface.Path.exists")
def test_copy_chk_file_from_previous_step_current_exists(
self, mock_exists, mock_copy
):

10
tests/shared/utils/test_logger.py
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@@ -1,4 +1,4 @@
from diceplayer.shared.utils.logger import Logger, valid_logger
from diceplayer.utils import Logger, valid_logger
import io
import logging
@@ -53,8 +53,8 @@ class TestLogger(unittest.TestCase):
self.assertEqual(logger._logger.name, "test")
@mock.patch("builtins.open", mock.mock_open())
@mock.patch("diceplayer.shared.utils.logger.Path.exists")
@mock.patch("diceplayer.shared.utils.logger.Path.rename")
@mock.patch("diceplayer.utils.logger.Path.exists")
@mock.patch("diceplayer.utils.logger.Path.rename")
def test_set_logger_if_file_exists(self, mock_rename, mock_exists):
logger = Logger("test")
@@ -66,8 +66,8 @@ class TestLogger(unittest.TestCase):
self.assertEqual(logger._logger.name, "test")
@mock.patch("builtins.open", mock.mock_open())
@mock.patch("diceplayer.shared.utils.logger.Path.exists")
@mock.patch("diceplayer.shared.utils.logger.Path.rename")
@mock.patch("diceplayer.utils.logger.Path.exists")
@mock.patch("diceplayer.utils.logger.Path.rename")
def test_set_logger_if_file_not_exists(self, mock_rename, mock_exists):
logger = Logger("test")