test/hoomd_script/test_integrate_bdnvt_rigid.py

   1 # -*- coding: iso-8859-1 -*-
   2 # Maintainer: joaander
   3
   4 from hoomd_script import *
   5 import unittest
   6 import os
   7
   8 # unit tests for integrate.nve_rigid
   9 class integrate_bdnvt_rigid_tests (unittest.TestCase):
  10     def setUp(self):
  11         print
  12         sysdef = init.create_random(N=100, phi_p=0.05);
  13         for p in sysdef.particles:
  14             p.body = p.tag % 10
  15
  16         sysdef.sysdef.getRigidData().initializeData()
  17         force.constant(fx=0.1, fy=0.1, fz=0.1)
  18
  19     # tests basic creation of the integrater
  20     def test_basic(self):
  21         all = group.all();
  22         integrate.mode_standard(dt=0.005);
  23         bd = integrate.bdnvt_rigid(all, T=1.2, seed=52);
  24         run(100);
  25         bd.disable();
  26         bd = integrate.bdnvt_rigid(all, T=1.2);
  27         run(100);
  28         bd.disable();
  29         bd = integrate.bdnvt_rigid(all, T=1.2, gamma_diam=True);
  30         bd.disable();
  31
  32     # test set_params
  33     def test_set_params(self):
  34         all = group.all();
  35         bd = integrate.bdnvt_rigid(all, T=1.2);
  36         bd.set_params(T=1.3);
  37
  38     # test set_gamma
  39     def test_set_gamma(self):
  40         all = group.all();
  41         bd = integrate.bdnvt_rigid(all, T=1.2);
  42         bd.set_gamma('A', 0.5);
  43         bd.set_gamma('B', 1.0);
  44
  45     def tearDown(self):
  46         init.reset();
  47
  48 # unit tests for integrate.nve_rigid w/o rigid bodies
  49 class integrate_bdnvt_rigid_nobody_tests (unittest.TestCase):
  50     def setUp(self):
  51         print
  52         sysdef = init.create_random(N=100, phi_p=0.05);
  53         force.constant(fx=0.1, fy=0.1, fz=0.1)
  54
  55     # test w/ empty group
  56     def test_empty(self):
  57         empty = group.cuboid(name="empty", xmin=-100, xmax=-100, ymin=-100, ymax=-100, zmin=-100, zmax=-100)
  58         mode = integrate.mode_standard(dt=0.005);
  59         nve = integrate.bdnvt_rigid(group=empty, T=1.2)
  60         run(1);
  61
  62     def tearDown(self):
  63         init.reset();
  64
  65 if __name__ == '__main__':
  66     unittest.main(argv = ['test.py', '-v'])