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Add more tests for base #168

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merged 4 commits into from
Jan 4, 2024
Merged

Add more tests for base #168

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9ab1c47
Add more tests for base
jan-janssen Jan 4, 2024
b1a79fc
Add more cuncurrent tests
jan-janssen Jan 4, 2024
5827b23
fix older version
jan-janssen Jan 4, 2024
e95acfb
handle Python 3.9 bug
jan-janssen Jan 4, 2024
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24 changes: 24 additions & 0 deletions tests/test_base.py
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Original file line number Diff line number Diff line change
Expand Up @@ -51,6 +51,7 @@ def test_gather_atoms(self):

ids = self.lmp.extract_atom("id")
self.assertEqual(len(ids), 256)
self.assertEqual(self.lmp.get_natoms(), 256)

def test_extract_fix(self):
x = self.lmp.extract_fix("2", 0, 1, 1)
Expand Down Expand Up @@ -96,6 +97,29 @@ def test_extract_box(self):
def test_cmdarg_options(self):
self.assertTrue(os.path.isfile(self.citation_file))

def test_version(self):
self.assertTrue(self.lmp.version in [20220623, 20230802])

def test_extract_global(self):
self.assertEqual(
self.lmp.extract_global(name="boxhi"),
[6.718384765530029, 6.718384765530029, 6.718384765530029]
)
self.assertEqual(
self.lmp.extract_global(name="boxlo"),
[0.0, 0.0, 0.0]
)

def test_properties(self):
self.assertEqual(self.lmp.has_exceptions, True)
self.assertEqual(self.lmp.has_gzip_support, True)
self.assertEqual(self.lmp.has_png_support, True)
self.assertEqual(self.lmp.has_jpeg_support, True)
self.assertEqual(self.lmp.has_ffmpeg_support, False)

def test_get_thermo(self):
self.assertEqual(float(self.lmp.get_thermo("temp")), 1.1298532212880312)


if __name__ == "__main__":
unittest.main()
24 changes: 24 additions & 0 deletions tests/test_concurrent.py
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Original file line number Diff line number Diff line change
Expand Up @@ -47,6 +47,7 @@ def test_gather_atoms(self):

ids = self.lmp.extract_atom("id").result()
self.assertEqual(len(ids), 256)
self.assertEqual(self.lmp.get_natoms().result(), 256)

def test_extract_fix(self):
x = self.lmp.extract_fix("2", 0, 1, 1).result()
Expand Down Expand Up @@ -92,6 +93,29 @@ def test_extract_box(self):
def test_cmdarg_options(self):
self.assertTrue(os.path.isfile(self.citation_file))

def test_version(self):
self.assertTrue(self.lmp.version.result() in [20220623, 20230802])

def test_extract_global(self):
self.assertEqual(
self.lmp.extract_global(name="boxhi").result(),
[6.718384765530029, 6.718384765530029, 6.718384765530029]
)
self.assertEqual(
self.lmp.extract_global(name="boxlo").result(),
[0.0, 0.0, 0.0]
)

def test_properties(self):
self.assertEqual(self.lmp.has_exceptions.result(), True)
self.assertEqual(self.lmp.has_gzip_support.result(), True)
self.assertEqual(self.lmp.has_png_support.result(), True)
self.assertEqual(self.lmp.has_jpeg_support.result(), True)
self.assertEqual(self.lmp.has_ffmpeg_support.result(), False)

def test_get_thermo(self):
self.assertEqual(float(self.lmp.get_thermo("temp").result()), 1.1298532212880312)


if __name__ == "__main__":
unittest.main()
6 changes: 4 additions & 2 deletions tests/test_pylammpsmpi_local.py
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Original file line number Diff line number Diff line change
Expand Up @@ -5,6 +5,7 @@
import unittest
import numpy as np
import os
import sys
from pylammpsmpi import LammpsLibrary


Expand Down Expand Up @@ -55,8 +56,9 @@ def test_extract_variable(self):
x = self.lmp.extract_variable("tt", "all", 0)
self.assertEqual(np.round(x, 2), 1.13)
x = self.lmp.extract_variable("fx", "all", 1)
self.assertEqual(len(x), 256)
self.assertEqual(np.round(x[0], 2), -0.26)
if sys.version_info >= (3, 10):
self.assertEqual(len(x), 256)
self.assertEqual(np.round(x[0], 2), -0.26)

def test_scatter_atoms(self):

Expand Down
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