test/hoomd_script/test_bond_harmonic.py

   1 # -*- coding: iso-8859-1 -*-
   2 # Maintainer: joaander
   3
   4 from hoomd_script import *
   5 import unittest
   6 import os
   7
   8 # tests bond.harmonic
   9 class bond_harmonic_tests (unittest.TestCase):
  10     def setUp(self):
  11         print
  12         self.polymer1 = dict(bond_len=1.2, type=['A']*6 + ['B']*7 + ['A']*6, bond="linear", count=100);
  13         self.polymer2 = dict(bond_len=1.2, type=['B']*4, bond="linear", count=10)
  14         self.polymers = [self.polymer1, self.polymer2]
  15         self.box = data.boxdim(L=35);
  16         self.separation=dict(A=0.35, B=0.35)
  17         init.create_random_polymers(box=self.box, polymers=self.polymers, separation=self.separation);
  18
  19         sorter.set_params(grid=8)
  20
  21     # test to see that se can create a force.constant
  22     def test_create(self):
  23         bond.harmonic();
  24
  25     # test setting coefficients
  26     def test_set_coeff(self):
  27         harmonic = bond.harmonic();
  28         harmonic.bond_coeff.set('polymer', k=1.0, r0=1.0)
  29         all = group.all();
  30         integrate.mode_standard(dt=0.005);
  31         integrate.nve(all);
  32         run(100);
  33
  34     # test coefficient not set checking
  35     def test_set_coeff_fail(self):
  36         harmonic = bond.harmonic();
  37         all = group.all();
  38         integrate.mode_standard(dt=0.005);
  39         integrate.nve(all);
  40         self.assertRaises(RuntimeError, run, 100);
  41
  42     def tearDown(self):
  43         init.reset();
  44
  45
  46 if __name__ == '__main__':
  47     unittest.main(argv = ['test.py', '-v'])