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@@ -9,7 +9,6 @@ Subpackages | |
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TIES_MD.eng_scripts | ||
TIES_MD.openmmtools | ||
TIES_MD.tests | ||
TIES_MD.ties_analysis | ||
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Submodules | ||
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import pytest, tempfile, os, site, shutil | ||
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with tempfile.TemporaryDirectory() as tmpdirname: | ||
print('created temporary directory', tmpdirname) | ||
test_dir = os.path.join(site.getsitepackages()[0], 'TIES_MD', 'tests') | ||
tmp_test_dir = os.path.join(tmpdirname, 'TIES_MD', 'unit_testing', 'tests') | ||
shutil.copytree(test_dir, tmp_test_dir) | ||
pytest.main([os.path.join(tmp_test_dir)]) | ||
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from pathlib import Path | ||
import glob | ||
import copy | ||
import site | ||
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from TIES_MD.TIES import * | ||
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@@ -2,6 +2,8 @@ | |
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import unittest | ||
import numpy as np | ||
import site, os | ||
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from TIES_MD.ties_analysis.engines.namd import * | ||
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import unittest | ||
import numpy as np | ||
import site, os | ||
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from TIES_MD.ties_analysis.engines.openmm import * | ||
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