test/hoomd_script/test_init_read_xml.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 init.read_xml
   9 class init_read_xml_tests (unittest.TestCase):
  10     def setUp(self):
  11         print
  12         if (comm.get_rank()==0):
  13             f = open("test.xml", "w");
  14             f.write('''<?xml version="1.0" encoding="UTF-8"?>
  15 <hoomd_xml version="1.0">
  16 <configuration time_step="0">
  17 <box lx="8" ly="8" lz="8"/>
  18 <position>
  19 -1 2 3
  20 2 1 -3
  21 3 -2 1
  22 </position>
  23 <type>
  24 A B C
  25 </type>
  26 </configuration>
  27 </hoomd_xml>
  28 ''');
  29             f = open("test_out_of_box.xml", "w");
  30             f.write('''<?xml version="1.0" encoding="UTF-8"?>
  31 <hoomd_xml version="1.0">
  32 <configuration time_step="0">
  33 <box lx="4" ly="4" lz="4"/>
  34 <position>
  35 -1 2 3
  36 2 1 -3
  37 3 -2 1
  38 </position>
  39 <type>
  40 A B C
  41 </type>
  42 </configuration>
  43 </hoomd_xml>
  44 ''');
  45
  46     # tests basic creation of the random initializer
  47     def test(self):
  48         init.read_xml('test.xml');
  49         self.assert_(globals.system_definition);
  50         self.assert_(globals.system);
  51         self.assertEqual(globals.system_definition.getParticleData().getNGlobal(), 3);
  52
  53     # tests creation with a few more arugments specified
  54     def test_moreargs(self):
  55         init.read_xml('test.xml', time_step=100);
  56         self.assert_(globals.system_definition);
  57         self.assert_(globals.system);
  58         self.assertEqual(globals.system_definition.getParticleData().getNGlobal(), 3);
  59
  60     # tests creation with out of box particles
  61     def test_out_of_box_1(self):
  62         self.assertRaises(RuntimeError, init.read_xml, 'test_out_of_box.xml')
  63
  64     # tests creation with out of box particles
  65     def test_out_of_box_2(self):
  66         sys=init.read_xml('test_out_of_box.xml',wrap_coordinates=True)
  67         self.assert_(globals.system_definition);
  68         self.assert_(globals.system);
  69         self.assertEqual(globals.system_definition.getParticleData().getNGlobal(), 3);
  70         self.assertAlmostEqual(sys.particles[0].position[2],-1,5)
  71
  72     # checks for an error if initialized twice
  73     def test_inittwice(self):
  74         init.read_xml('test.xml');
  75         self.assertRaises(RuntimeError, init.read_xml, 'test.xml');
  76
  77     def tearDown(self):
  78         if (comm.get_rank()==0):
  79             os.remove("test.xml");
  80             os.remove("test_out_of_box.xml");
  81         init.reset();
  82
  83 if __name__ == '__main__':
  84     unittest.main(argv = ['test.py', '-v'])