test/hoomd_script/test_bond_table.py

   1 # -*- coding: iso-8859-1 -*-
   2 # Maintainer: joaander
   3
   4 from hoomd_script import *
   5 import unittest
   6 import os
   7
   8 # tests bond.bondtable
   9 class bond_table_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         init.create_random_polymers(box=self.box, polymers=self.polymers, separation=self.separation);
  18
  19         sorter.set_params(grid=8)
  20
  21     # basic test of creation
  22     def test(self):
  23         btable = bond.table(width=1000);
  24         btable.bond_coeff.set('polymer', rmin=0.0, rmax=1.0, func=lambda r, rmin, rmax: (r, 2*r), coeff=dict());
  25         btable.update_coeffs();
  26
  27     # test missing coefficients
  28     def test_set_missing_coeff(self):
  29         btable = bond.table(width=1000);
  30         btable.bond_coeff.set('polymer', rmin=0.0, rmax=1.0);
  31         self.assertRaises(RuntimeError, btable.update_coeffs);
  32
  33     # test more missing coefficients
  34     def test_missing_all(self):
  35         btable = bond.table(width=1000);
  36         self.assertRaises(RuntimeError, btable.update_coeffs);
  37
  38
  39     # Add tests to check for runtime errors
  40
  41     def tearDown(self):
  42         init.reset();
  43
  44
  45 if __name__ == '__main__':
  46     unittest.main(argv = ['test.py', '-v'])