# ESPResSo is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see <http://www.gnu.org/licenses/>.
import unittest as ut
import importlib_wrapper
import numpy as np
try:
import MDAnalysis # pylint: disable=unused-import
except ImportError:
sample = importlib_wrapper.MagicMock()
skipIfMissingFeatures = ut.skip(
"Python module MDAnalysis not available, skipping test!")
else:
sample, skipIfMissingFeatures = importlib_wrapper.configure_and_import(
"@SAMPLES_DIR@/MDAnalysisIntegration.py")
@skipIfMissingFeatures
class Sample(ut.TestCase):
system = sample.system
def test_universe(self):
system = self.system
partcls = system.part.all()
u = sample.u
#
# ESPResSo is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see <http://www.gnu.org/licenses/>.
import unittest as ut
import importlib_wrapper
try:
import pint # pylint: disable=unused-import
except ImportError:
tutorial = importlib_wrapper.MagicMock()
skipIfMissingFeatures = ut.skip(
"Python module pint not available, skipping test!")
else:
tutorial, skipIfMissingFeatures = importlib_wrapper.configure_and_import(
"@TUTORIALS_DIR@/12-constant_pH/12-constant_pH.py",
USE_WCA=True,
USE_ELECTROSTATICS=True,
NUM_PHS=3,
NUM_SAMPLES=2,
PROB_REACTION=1.0,
script_suffix="interactions")
@skipIfMissingFeatures
class Tutorial(ut.TestCase):