testsuite/interaction_potentials/unittest/testFENE.py
# Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# 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
import espressopp
from espressopp.interaction.FENE import *
from espressopp import Real3D, infinity
class Test0FENE(espressopp.tools.TestCase) :
def test0Energy(self) :
fene=FENE(K=1.0, r0=1.0, rMax=0.5)
# root = minimum
self.assertAlmostEqual(fene.computeEnergy(1.0), 0.0)
self.assertAlmostEqual(fene.computeEnergy(1.0, 0.0, 0.0), 0.0)
self.assertAlmostEqual((fene.computeForce(1.0, 0.0, 0.0) - Real3D(0.0, 0.0, 0.0)).sqr(), 0.0)
if __name__ == "__main__":
unittest.main()