test/hoomd_script/test_init_create_random_polymers.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.create_random_polymers
   9 class init_create_random_polymer_tests (unittest.TestCase):
  10     def setUp(self):
  11         print
  12         self.polymer1 = dict(bond_len=1.2, type=['A']*6 + ['B']*7 + ['A']*6, bond="linear", count=100);
  13         self.polymer2 = dict(bond_len=1.2, type=['B']*4, bond="linear", count=10)
  14         self.polymers = [self.polymer1, self.polymer2]
  15         self.box = data.boxdim(L=35);
  16         self.separation=dict(A=0.35, B=0.35)
  17
  18     # tests basic creation of the random initializer
  19     def test(self):
  20         init.create_random_polymers(box=self.box, polymers=self.polymers, separation=self.separation);
  21         self.assert_(globals.system_definition);
  22         self.assert_(globals.system);
  23
  24     # checks for an error if initialized twice
  25     def test_create_random_inittwice(self):
  26         init.create_random_polymers(box=self.box, polymers=self.polymers, separation=self.separation);
  27         self.assertRaises(RuntimeError,
  28                           init.create_random_polymers,
  29                           box=self.box,
  30                           polymers=self.polymers,
  31                           separation=self.separation);
  32
  33     # checks that invalid arguments are detected
  34     def test_bad_polymers(self):
  35         self.assertRaises(RuntimeError,
  36                           init.create_random_polymers,
  37                           box=self.box,
  38                           polymers=[],
  39                           separation=self.separation);
  40         self.assertRaises(RuntimeError,
  41                           init.create_random_polymers,
  42                           box=self.box,
  43                           polymers=self.polymer1,
  44                           separation=self.separation);
  45         self.assertRaises(RuntimeError,
  46                           init.create_random_polymers,
  47                           box=self.box,
  48                           polymers=5,
  49                           separation=self.separation);
  50         self.assertRaises(RuntimeError,
  51                           init.create_random_polymers,
  52                           box=self.box,
  53                           polymers="polymers",
  54                           separation=self.separation);
  55
  56         bad_polymer1 = dict(bond_len=1.2, bond="linear", count=10)
  57         bad_polymer2 = dict(type=['B']*4, bond="linear", count=10)
  58         bad_polymer3 = dict(bond_len=1.2, type=['B']*4, count=10)
  59         bad_polymer4 = dict(bond_len=1.2, type=['B']*4, bond="linear")
  60         self.assertRaises(RuntimeError,
  61                           init.create_random_polymers,
  62                           box=self.box,
  63                           polymers=[bad_polymer1],
  64                           separation=self.separation);
  65         self.assertRaises(RuntimeError,
  66                           init.create_random_polymers,
  67                           box=self.box,
  68                           polymers=[bad_polymer2],
  69                           separation=self.separation);
  70         self.assertRaises(RuntimeError,
  71                           init.create_random_polymers,
  72                           box=self.box,
  73                           polymers=[bad_polymer3],
  74                           separation=self.separation);
  75         self.assertRaises(RuntimeError,
  76                           init.create_random_polymers,
  77                           box=self.box,
  78                           polymers=[bad_polymer4],
  79                           separation=self.separation);
  80
  81     def test_bad_separation(self):
  82         bad_separation1 = dict(A=0.35)
  83         bad_separation2 = dict(B=0.35)
  84         bad_separation3 = dict(C=0.35)
  85         self.assertRaises(RuntimeError,
  86                           init.create_random_polymers,
  87                           box=self.box,
  88                           polymers=self.polymers,
  89                           separation=bad_separation1);
  90         self.assertRaises(RuntimeError,
  91                           init.create_random_polymers,
  92                           box=self.box,
  93                           polymers=self.polymers,
  94                           separation=bad_separation2);
  95         self.assertRaises(RuntimeError,
  96                           init.create_random_polymers,
  97                           box=self.box,
  98                           polymers=self.polymers,
  99                           separation=bad_separation3);
 100
 101     def tearDown(self):
 102         init.reset();
 103
 104
 105 if __name__ == '__main__':
 106     unittest.main(argv = ['test.py', '-v'])