test/hoomd_script/test_pair_nlist.py

   1 # -*- coding: iso-8859-1 -*-
   2 # Maintainer: joaander
   3
   4 from hoomd_script import *
   5 import unittest
   6 import os
   7
   8 # pair.nlist testing
   9 class pair_nlist_tests (unittest.TestCase):
  10     def setUp(self):
  11         print
  12         init.create_random(N=100, phi_p=0.05);
  13         #indirectly create the neighbor list by creating a pair.lj
  14         pair.lj(r_cut=3.0);
  15
  16         sorter.set_params(grid=8)
  17
  18
  19     # test set_params
  20     def test_set_params(self):
  21         globals.neighbor_list.set_params(r_buff=0.6);
  22         globals.neighbor_list.set_params(check_period = 20);
  23
  24     # test reset_exclusions
  25     def test_reset_exclusions_works(self):
  26         globals.neighbor_list.reset_exclusions();
  27         globals.neighbor_list.reset_exclusions(exclusions = ['1-2']);
  28         globals.neighbor_list.reset_exclusions(exclusions = ['1-3']);
  29         globals.neighbor_list.reset_exclusions(exclusions = ['1-4']);
  30         globals.neighbor_list.reset_exclusions(exclusions = ['bond']);
  31         globals.neighbor_list.reset_exclusions(exclusions = ['angle']);
  32         globals.neighbor_list.reset_exclusions(exclusions = ['dihedral']);
  33         globals.neighbor_list.reset_exclusions(exclusions = ['bond', 'angle']);
  34
  35     # test reset_exclusions error messages
  36     def test_reset_exclusions_nowork(self):
  37         self.assertRaises(RuntimeError,
  38                           globals.neighbor_list.reset_exclusions,
  39                           exclusions = ['bond', 'angle', 'invalid']);
  40
  41     def tearDown(self):
  42         init.reset();
  43
  44 if __name__ == '__main__':
  45     unittest.main(argv = ['test.py', '-v'])