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update unittest codes
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keisuke-yanagisawa committed Aug 16, 2024
1 parent 6df7548 commit 028ac8f
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Showing 2 changed files with 9 additions and 4 deletions.
10 changes: 7 additions & 3 deletions script/test_generate_msmd_system.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,8 +2,12 @@
from typing import Literal
from unittest import TestCase

from script.generate_msmd_system import _create_frcmod, calculate_boxsize, generate_msmd_system
from script.utilities import util
from script.generate_msmd_system import (
_create_frcmod,
calculate_boxsize,
generate_msmd_system,
)
from script.setting import parse_yaml


class TestBoxSizeCalculation(TestCase):
Expand Down Expand Up @@ -32,7 +36,7 @@ def __init__(self, *args, **kwargs):
self.expected_rst7_file = __testdata_dir / "tripeptide_A11.rst7"

def test_generate_msmd_system(self):
settings = util.parse_yaml(self.setting_file)
settings = parse_yaml(self.setting_file)
parm7, rst7 = generate_msmd_system(settings, seed=1)

# first line contains the date and time, so we skip it for comparison
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3 changes: 2 additions & 1 deletion script/utilities/test_parse_setting_yaml.py
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@@ -1,7 +1,8 @@
from pathlib import Path
from unittest import TestCase

from script.utilities.util import expand_index, parse_yaml
from script.setting import parse_yaml
from script.utilities.util import expand_index


class TestParseNormalSettingYaml(TestCase):
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