test/hoomd_script/test_dump_dcd.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 dump.dcd
   9 class dmp_dcd_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     # tests basic creation of the dump
  17     def test(self):
  18         dump.dcd(filename="dump_dcd", period=100);
  19         run(100)
  20         if (comm.get_rank() == 0):
  21             os.remove('dump_dcd')
  22
  23     # tests unwrap_full option
  24     def test_unwrap_full(self):
  25         dump.dcd(filename="dump_dcd", period=100, unwrap_full=True);
  26         run(100)
  27         if (comm.get_rank() == 0):
  28             os.remove('dump_dcd')
  29
  30     # tests unwrap_rigid option
  31     def test_unwrap_rigid(self):
  32         # only supported in single-processor mode
  33         if comm.get_num_ranks()==1:
  34             dump.dcd(filename="dump_dcd", period=100, unwrap_rigid=True);
  35             run(100)
  36             if (comm.get_rank() == 0):
  37                 os.remove('dump_dcd')
  38
  39     # tests group option
  40     def test_group(self):
  41         typeA = group.type('A');
  42         dump.dcd(filename="dump_dcd", group=typeA, period=100);
  43         run(100)
  44         if (comm.get_rank() == 0):
  45             os.remove('dump_dcd')
  46
  47     # tests variable periods
  48     def test_variable(self):
  49         dump.dcd(filename="dump_dcd", period=lambda n: n*100);
  50         run(100)
  51         if (comm.get_rank() == 0):
  52             os.remove('dump_dcd')
  53
  54     # test disable/enable
  55     def test_enable_disable(self):
  56         dcd = dump.dcd(filename="dump_dcd", period=100);
  57         dcd.disable()
  58         self.assertRaises(RuntimeError, dcd.enable)
  59
  60     # test set_period
  61     def test_set_period(self):
  62         dcd = dump.dcd(filename="dump_dcd", period=100);
  63         self.assertRaises(RuntimeError, dcd.set_period, 10)
  64
  65     def tearDown(self):
  66         init.reset();
  67
  68
  69 if __name__ == '__main__':
  70     unittest.main(argv = ['test.py', '-v'])