test/hoomd_script/test_pair_dpd.py

   1 # -*- coding: iso-8859-1 -*-
   2 # Maintainer: joaander
   3
   4 from hoomd_script import *
   5 import unittest
   6 import os
   7
   8 # pair.dpd
   9 class pair_dpd_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     # basic test of creation
  17     def test(self):
  18         dpd = pair.dpd(r_cut=3.0, T=1.0);
  19         dpd.pair_coeff.set('A', 'A', A=1.0, gamma = 4.5, r_cut=2.5);
  20         dpd.update_coeffs();
  21
  22     # test missing coefficients
  23     def test_set_missing_gamma(self):
  24         dpd = pair.dpd(r_cut=3.0, T=1.0);
  25         dpd.pair_coeff.set('A', 'A', A=40);
  26         self.assertRaises(RuntimeError, dpd.update_coeffs);
  27
  28     # test missing coefficients
  29     def test_missing_AA(self):
  30         dpd = pair.dpd(r_cut=3.0, T=1.0);
  31         self.assertRaises(RuntimeError, dpd.update_coeffs);
  32
  33     def tearDown(self):
  34         init.reset();
  35
  36
  37 if __name__ == '__main__':
  38     unittest.main(argv = ['test.py', '-v'])