test/hoomd_script/test_integrate_nvt_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_nvt_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         integrate.nvt_rigid(all, T=1.2, tau=0.5);
  24         run(100);
  25
  26     # test set_params
  27     def test_set_params(self):
  28         all = group.all();
  29         nvt = integrate.nvt_rigid(all, T=1.2, tau=0.5);
  30         nvt.set_params(T=1.3);
  31
  32     def tearDown(self):
  33         init.reset();
  34
  35 # unit tests for integrate.nve_rigid w/o rigid bodies
  36 class integrate_nvt_rigid_nobody_tests (unittest.TestCase):
  37     def setUp(self):
  38         print
  39         sysdef = init.create_random(N=100, phi_p=0.05);
  40         force.constant(fx=0.1, fy=0.1, fz=0.1)
  41
  42     # test w/ empty group
  43     def test_empty(self):
  44         empty = group.cuboid(name="empty", xmin=-100, xmax=-100, ymin=-100, ymax=-100, zmin=-100, zmax=-100)
  45         mode = integrate.mode_standard(dt=0.005);
  46         nve = integrate.nvt_rigid(group=empty, T=1.2, tau=0.5)
  47         run(1);
  48
  49     def tearDown(self):
  50         init.reset();
  51
  52 if __name__ == '__main__':
  53     unittest.main(argv = ['test.py', '-v'])