test/hoomd_script/test_wall_lj.py

   1 # -*- coding: iso-8859-1 -*-
   2 # Maintainer: joaander
   3
   4 from hoomd_script import *
   5 import unittest
   6 import os
   7
   8 # tests wall.lj
   9 class wall_lj_tests (unittest.TestCase):
  10     def setUp(self):
  11         print
  12         init.create_random(N=100, phi_p=0.05);
  13
  14         sorter.set_params(grid=8)
  15
  16     # test to see that se can create a wall.lj
  17     def test_create(self):
  18         wall.lj(r_cut=3.0);
  19
  20     # test setting coefficients
  21     def test_set_coeff(self):
  22         lj_wall = wall.lj(r_cut=3.0);
  23         lj_wall.set_coeff('A', epsilon=1.0, sigma=1.0, alpha=1.0)
  24         all = group.all();
  25         integrate.mode_standard(dt=0.005);
  26         integrate.nve(all);
  27         run(100);
  28
  29     # test coefficient not set checking
  30     def test_set_coeff_fail(self):
  31         lj_wall = wall.lj(r_cut=3.0);
  32         all = group.all();
  33         integrate.mode_standard(dt=0.005);
  34         integrate.nve(all);
  35         self.assertRaises(RuntimeError, run, 100);
  36
  37     def tearDown(self):
  38         init.reset();
  39
  40 if __name__ == '__main__':
  41     unittest.main(argv = ['test.py', '-v'])