#MDANSE : Molecular Dynamics Analysis for Neutron Scattering Experiments #------------------------------------------------------------------------------------------ #Copyright (C) #2015- Eric C. Pellegrini Institut Laue-Langevin #BP 156 #6, rue Jules Horowitz #38042 Grenoble Cedex 9 #France #pellegrini[at]ill.fr #goret[at]ill.fr #aoun[at]ill.fr # #This library is free software; you can redistribute it and/or #modify it under the terms of the GNU Lesser General Public #License as published by the Free Software Foundation; either #version 2.1 of the License, or (at your option) any later version. # #This library 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 #Lesser General Public License for more details. # #You should have received a copy of the GNU Lesser General Public #License along with this library; if not, write to the Free Software #Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA ''' Created on May 29, 2015 @author: Eric C. Pellegrini ''' import unittest import numpy from MDANSE.Mathematics.Geometry import center_of_mass class TestGeometry(unittest.TestCase): ''' Unittest for the geometry-related functions ''' def test_center_of_mass(self): coords = numpy.array([[0,0,0],[1,0,0],[1,1,0],[0,1,0],[0,0,1],[1,0,1],[1,1,1],[0,1,1]],dtype=numpy.float64) self.assertTrue(numpy.array_equal(center_of_mass(coords),numpy.array([0.5,0.5,0.5],dtype=numpy.float64))) masses = numpy.array([1.0,1.0,1.0,1.0,0.0,0.0,0.0,0.0],dtype=numpy.float64) self.assertTrue(numpy.array_equal(center_of_mass(coords,masses=masses),numpy.array([0.5,0.5,0.0],dtype=numpy.float64))) def suite(): loader = unittest.TestLoader() s = unittest.TestSuite() s.addTest(loader.loadTestsFromTestCase(TestGeometry)) return s if __name__ == '__main__': unittest.main(verbosity=2)