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Enable PyLammps unit test, require NumPy

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This commit is contained in:
Richard Berger
2022-02-03 19:50:59 -05:00
parent 22efbaf977
commit 75f389f70c
2 changed files with 10 additions and 7 deletions
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4
unittest/python/CMakeLists.txt
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@ -98,14 +98,10 @@ if(Python_EXECUTABLE)
WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH})
set_tests_properties(PythonCapabilities PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") set_tests_properties(PythonCapabilities PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}")
if(CMAKE_SYSTEM_NAME STREQUAL "Windows")
message(STATUS "Skipping Tests for PyLammps Module: not yet ported to Windows")
else()
add_test(NAME PythonPyLammps add_test(NAME PythonPyLammps
COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-pylammps.py -v COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-pylammps.py -v
WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH})
set_tests_properties(PythonPyLammps PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") set_tests_properties(PythonPyLammps PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}")
endif()
add_test(NAME PythonFormats add_test(NAME PythonFormats
COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-formats.py -v COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-formats.py -v

13
unittest/python/python-pylammps.py
View File

@ -1,6 +1,13 @@
import sys,os,unittest import os,unittest
from lammps import PyLammps from lammps import PyLammps
try:
import numpy
NUMPY_INSTALLED = True
except ImportError:
NUMPY_INSTALLED = False
@unittest.skipIf(not NUMPY_INSTALLED, "numpy is not available")
class PythonPyLammps(unittest.TestCase): class PythonPyLammps(unittest.TestCase):
def setUp(self): def setUp(self):
machine = None machine = None
@ -49,8 +56,8 @@ class PythonPyLammps(unittest.TestCase):
self.assertEqual(self.pylmp.lmp.create_atoms(2, id=None, type=types, x=x), 2) self.assertEqual(self.pylmp.lmp.create_atoms(2, id=None, type=types, x=x), 2)
self.assertEqual(self.pylmp.system.natoms, 2) self.assertEqual(self.pylmp.system.natoms, 2)
self.assertEqual(len(self.pylmp.atoms), 2) self.assertEqual(len(self.pylmp.atoms), 2)
self.assertEqual(self.pylmp.atoms[0].position, tuple(x[0:3])) numpy.testing.assert_array_equal(self.pylmp.atoms[0].position, tuple(x[0:3]))
self.assertEqual(self.pylmp.atoms[1].position, tuple(x[3:6])) numpy.testing.assert_array_equal(self.pylmp.atoms[1].position, tuple(x[3:6]))
self.assertEqual(self.pylmp.last_run, None) self.assertEqual(self.pylmp.last_run, None)