def test_id(self):
'''
test initializer with id
'''
#
id = 3
o = sasmol.SasSys(id)
self.assertEqual(o.id(), id)
def test_id_systype_hybrid(self):
'''
test add object for a hybrid type
'''
#
o = sasmol.SasSys(0)
o.add_object('hybrid')
self.assertEqual(o._objectarray[0][0], 0)
self.assertEqual(o._objectarray[0][1]._name, 'Hybrid_None')
def test_id_systype_sol(self):
'''
test add object for a solid type
'''
#
o = sasmol.SasSys(0)
o.add_object('solid')
self.assertEqual(o._objectarray[0][0], 0)
self.assertEqual(o._objectarray[0][1]._name, 'Sol_None')
def test_id_systype(self):
'''
test initializer with id and systype of atomic
'''
#
id = 3
systype = 'atomic'
o = sasmol.SasSys(id, systype)
self.assertEqual(o.id(), id)
self.assertEqual(o.systype(), systype)
def test_id_wrong(self):
'''
test initializer with the wrong systype input
'''
#
id = 3
systype = 'whatisthis'
o = sasmol.SasSys(id, systype)
self.assertEqual(o.id(), id)
with self.assertRaises(Exception):
self.assertEqual(o.systype(), systype)
def test_id_systype_atomic(self):
'''
test add object for an atomic type
'''
#
o = sasmol.SasSys(0)
o.add_object('atomic')
self.assertEqual(o._objectarray[0][0], 0)
self.assertEqual(o._objectarray[0][1].id(), 0)
self.assertEqual(o._objectarray[0][1].totalmass(), 0.0)
self.assertEqual(o._objectarray[0][1].natoms(), 0)
self.assertEqual(o._objectarray[0][1].mass(), None)
self.assertEqual(o._objectarray[0][1].coor(), None)
self.assertEqual(o._objectarray[0][1].com(), None)
def test_wrong(self):
'''
test add object for a wrong type
'''
#
import sys, os
o = sasmol.SasSys(0)
stdoutFileName = __file__ + '.stdiout'
sys.stdout = open(stdoutFileName, 'w')
o.add_object('whatisthis')
sys.stdout = sys.__stdout__
info = open(stdoutFileName).readlines()
expected_info = [
'>>> error: need to specify addtype == atom, molecule, or assembly\n',
'>>> no objects created\n'
]
self.assertEqual(info, expected_info)
os.remove(stdoutFileName)
def test_id_systype_atomic_sol_hybrid(self):
'''
test add object for atomic+solid_hybrid type
'''
#
o = sasmol.SasSys(0)
o.add_object('atomic')
o.add_object('solid')
o.add_object('hybrid')
self.assertEqual(o._objectarray[0][0], 0)
self.assertEqual(o._objectarray[0][1].id(), 0)
self.assertEqual(o._objectarray[0][1].totalmass(), 0.0)
self.assertEqual(o._objectarray[0][1].natoms(), 0)
self.assertEqual(o._objectarray[0][1].mass(), None)
self.assertEqual(o._objectarray[0][1].coor(), None)
self.assertEqual(o._objectarray[0][1].com(), None)
self.assertEqual(o._objectarray[1][0], 1)
self.assertEqual(o._objectarray[1][1]._name, 'Sol_None')
self.assertEqual(o._objectarray[2][0], 2)
self.assertEqual(o._objectarray[2][1]._name, 'Hybrid_None')