test/hoomd_script/test_pair_cgcmm.py

   1 # -*- coding: iso-8859-1 -*-
   2 # Maintainer: joaander
   3
   4 from hoomd_script import *
   5 import unittest
   6 import os
   7
   8 # pair.cgcmm
   9 class pair_cgcmm_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         cgcmm = pair.cgcmm(r_cut=3.0);
  19         cgcmm.pair_coeff.set('A', 'A', epsilon=1.0, sigma=1.0, alpha=1.0, exponents='lj12_4');
  20         cgcmm.update_coeffs();
  21
  22     # test missing coefficients
  23     def test_set_missing_epsilon(self):
  24         cgcmm = pair.cgcmm(r_cut=3.0);
  25         cgcmm.pair_coeff.set('A', 'A', sigma=1.0, alpha=1.0);
  26         self.assertRaises(RuntimeError, cgcmm.update_coeffs);
  27
  28     # test missing coefficients
  29     def test_missing_AA(self):
  30         cgcmm = pair.cgcmm(r_cut=3.0);
  31         self.assertRaises(RuntimeError, cgcmm.update_coeffs);
  32
  33    # test nlist subscribe
  34     def test_nlist_subscribe(self):
  35         cgcmm = pair.cgcmm(r_cut=2.5);
  36         globals.neighbor_list.update_rcut();
  37         self.assertAlmostEqual(2.5, globals.neighbor_list.r_cut);
  38
  39     def tearDown(self):
  40         init.reset();
  41
  42
  43 if __name__ == '__main__':
  44     unittest.main(argv = ['test.py', '-v'])