test/hoomd_script/test_constraint_sphere.py

   1 # -*- coding: iso-8859-1 -*-
   2 # Maintainer: joaander
   3
   4 from hoomd_script import *
   5 import unittest
   6 import os
   7
   8 # test the constrain.sphere command
   9 class constraint_sphere_tests (unittest.TestCase):
  10     def setUp(self):
  11         print
  12         sysdef = init.create_empty(N=2, box=data.boxdim(L=40), particle_types=['A']);
  13         sysdef.particles[0].position = (5,0,0);
  14         sysdef.particles[1].position = (-5,1,1);
  15
  16         sorter.set_params(grid=8)
  17
  18     def test_basic(self):
  19         all = group.all()
  20         constrain.sphere(group=all, P=(0,0,0), r=5)
  21         integrate.mode_standard(dt=0.005);
  22         integrate.bdnvt(group=all, T=1.2);
  23         run(10);
  24
  25     def test_error(self):
  26         all = group.all()
  27         self.assertRaises(RuntimeError, constrain.sphere, group=all, P=(0,0,0), r=10)
  28
  29     def tearDown(self):
  30         init.reset();
  31
  32
  33 if __name__ == '__main__':
  34     unittest.main(argv = ['test.py', '-v'])