test/hoomd_script/test_group.py

   1 # -*- coding: iso-8859-1 -*-
   2 # Maintainer: joaander
   3
   4 from hoomd_script import *
   5 import unittest
   6 import os
   7 import gc
   8
   9 # group - test grouping commands
  10 class pair_group_tests (unittest.TestCase):
  11     def setUp(self):
  12         print("setUp");
  13         print
  14         sysdef = init.create_empty(N=11, box=data.boxdim(L=5), particle_types=['A', 'B']);
  15         sysdef.particles[0].position = (0,0,0);
  16         sysdef.particles[0].type = 'A';
  17         sysdef.particles[1].position = (1,1,1);
  18         sysdef.particles[1].type = 'B';
  19         sysdef.particles[2].position = (1,1,1);
  20         sysdef.particles[2].type = 'B';
  21         sysdef.particles[3].position = (-1,-1,-1);
  22         sysdef.particles[3].type = 'A';
  23         sysdef.particles[4].position = (-1,-1,-1);
  24         sysdef.particles[4].type = 'A';
  25         sysdef.particles[5].position = (2,0,0);
  26         sysdef.particles[5].type = 'B';
  27         sysdef.particles[6].position = (0,2,0);
  28         sysdef.particles[6].type = 'A';
  29         sysdef.particles[7].position = (0,0,2);
  30         sysdef.particles[7].type = 'A';
  31         sysdef.particles[8].position = (-2,0,0);
  32         sysdef.particles[8].type = 'B';
  33         sysdef.particles[9].position = (0,-2,0);
  34         sysdef.particles[9].type = 'B';
  35         sysdef.particles[10].position = (0,0,-2);
  36         sysdef.particles[10].type = 'B';
  37
  38         sorter.set_params(grid=8)
  39
  40     def test_all(self):
  41         all = group.all()
  42         tags = [(x.tag) for x in all]
  43         self.assertEqual(tags, list(range(11)))
  44
  45     def test_tags(self):
  46         one = group.tags(5)
  47         tags = [(x.tag) for x in one]
  48         self.assertEqual(tags, [5])
  49
  50         part = group.tags(tag_min=5, tag_max=8)
  51         tags = [(x.tag) for x in part]
  52         self.assertEqual(tags, list(range(5,9)))
  53
  54     def test_type(self):
  55         A = group.type(type='A')
  56         tags = [(x.tag) for x in A]
  57         self.assertEqual(tags, [0, 3, 4, 6, 7])
  58
  59         B = group.type(type='B')
  60         tags = [(x.tag) for x in B]
  61         self.assertEqual(tags, [1, 2, 5, 8, 9, 10])
  62
  63     def test_cuboid_xmin(self):
  64         g = group.cuboid(name='test', xmin=None)
  65         tags = [(x.tag) for x in g]
  66         self.assertEqual(tags, list(range(11)))
  67
  68         g = group.cuboid(name='test', xmin=0.99)
  69         tags = [(x.tag) for x in g]
  70         self.assertEqual(tags, [1,2,5])
  71
  72     def test_cuboid_xmax(self):
  73         g = group.cuboid(name='test', xmax=None)
  74         tags = [(x.tag) for x in g]
  75         self.assertEqual(tags, list(range(11)))
  76
  77         g = group.cuboid(name='test', xmax=-0.99)
  78         tags = [(x.tag) for x in g]
  79         self.assertEqual(tags, [3,4,8])
  80
  81     def test_cuboid_ymin(self):
  82         g = group.cuboid(name='test', ymin=None)
  83         tags = [(x.tag) for x in g]
  84         self.assertEqual(tags, list(range(11)))
  85
  86         g = group.cuboid(name='test', ymin=0.99)
  87         tags = [(x.tag) for x in g]
  88         self.assertEqual(tags, [1,2,6])
  89
  90     def test_cuboid_ymax(self):
  91         g = group.cuboid(name='test', ymax=None)
  92         tags = [(x.tag) for x in g]
  93         self.assertEqual(tags, list(range(11)))
  94
  95         g = group.cuboid(name='test', ymax=-0.99)
  96         tags = [(x.tag) for x in g]
  97         self.assertEqual(tags, [3,4,9])
  98
  99     def test_cuboid_zmin(self):
 100         g = group.cuboid(name='test', zmin=None)
 101         tags = [(x.tag) for x in g]
 102         self.assertEqual(tags, list(range(11)))
 103
 104         g = group.cuboid(name='test', zmin=0.99)
 105         tags = [(x.tag) for x in g]
 106         self.assertEqual(tags, [1,2,7])
 107
 108     def test_cuboid_zmax(self):
 109         g = group.cuboid(name='test', zmax=None)
 110         tags = [(x.tag) for x in g]
 111         self.assertEqual(tags, list(range(11)))
 112
 113         g = group.cuboid(name='test', zmax=-0.99)
 114         tags = [(x.tag) for x in g]
 115         self.assertEqual(tags, [3,4,10])
 116
 117     def test_tag_list(self):
 118         g = group.tag_list(name='a', tags=[0, 5, 9]);
 119         tags = [(x.tag) for x in g]
 120         self.assertEqual(tags, [0,5,9])
 121
 122     def test_union(self):
 123         A = group.type(type='A')
 124         B = group.type(type='B')
 125
 126         union = group.union(name='test', a=A,b=B)
 127         tags = [(x.tag) for x in union]
 128         self.assertEqual(tags, list(range(11)))
 129
 130     def test_intersection(self):
 131         A = group.type(type='A')
 132         B = group.type(type='B')
 133         all = group.all();
 134
 135         isectAB = group.intersection(name='test', a=A,b=B)
 136         tags = [(x.tag) for x in isectAB]
 137         self.assertEqual(tags, [])
 138
 139         isectAall = group.intersection(name='test', a=A,b=all)
 140         tags = [(x.tag) for x in isectAall]
 141         self.assertEqual(tags, [0, 3, 4, 6, 7])
 142
 143     def test_difference(self):
 144         B = group.type(type='B')
 145         all = group.all();
 146
 147         diffBall = group.difference(name='test', a=all,b=B)
 148         tags = [(x.tag) for x in diffBall]
 149         self.assertEqual(tags, [0, 3, 4, 6, 7])
 150
 151     def tearDown(self):
 152         init.reset();
 153
 154
 155 if __name__ == '__main__':
 156     unittest.main(argv = ['test.py', '-v'])