def testApplyActionDecrementBond(self):
"""
Test the Bond.applyAction() method for a CHANGE_BOND action.
"""
action = ['CHANGE_BOND', '*1', -1, '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
except ActionError:
self.assertTrue('S' == order0 or 'B' == order0)
def testApplyActionDecrementBond(self):
"""
Test the Bond.applyAction() method for a CHANGE_BOND action.
"""
action = ['CHANGE_BOND', '*1', -1, '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
except ActionError:
self.assertTrue('S' == order0 or 'B' == order0)
def testApplyActionLoseRadical(self):
"""
Test the Bond.applyAction() method for a LOSE_RADICAL action.
"""
action = ['LOSE_RADICAL', '*1', 1]
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail('Bond.applyAction() unexpectedly processed a LOSE_RADICAL action.')
except ActionError:
pass
def testApplyActionFormBond(self):
"""
Test the Bond.applyAction() method for a FORM_BOND action.
"""
action = ['FORM_BOND', '*1', 'S', '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail('Bond.applyAction() unexpectedly processed a FORM_BOND action.')
except ActionError:
pass
def testApplyActionLoseRadical(self):
"""
Test the Bond.applyAction() method for a LOSE_RADICAL action.
"""
action = ['LOSE_RADICAL', '*1', 1]
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail(
'Bond.applyAction() unexpectedly processed a LOSE_RADICAL action.'
)
except ActionError:
pass
def testApplyActionFormBond(self):
"""
Test the Bond.applyAction() method for a FORM_BOND action.
"""
action = ['FORM_BOND', '*1', 'S', '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail(
'Bond.applyAction() unexpectedly processed a FORM_BOND action.'
)
except ActionError:
pass
class TestBond(unittest.TestCase):
"""
Contains unit tests of the Bond class.
"""
def setUp(self):
"""
A method called before each unit test in this class.
"""
self.bond = Bond(atom1=None, atom2=None, order='D')
self.orderList = ['S','D','T','B']
def testIsSingle(self):
"""
Test the Bond.isSingle() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
if order == 'S':
self.assertTrue(bond.isSingle())
else:
self.assertFalse(bond.isSingle())
def testIsDouble(self):
"""
Test the Bond.isDouble() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
if order == 'D':
self.assertTrue(bond.isDouble())
else:
self.assertFalse(bond.isDouble())
def testIsTriple(self):
"""
Test the Bond.isTriple() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
if order == 'T':
self.assertTrue(bond.isTriple())
else:
self.assertFalse(bond.isTriple())
def testIsBenzene(self):
"""
Test the Bond.isBenzene() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
if order == 'B':
self.assertTrue(bond.isBenzene())
else:
self.assertFalse(bond.isBenzene())
def testIncrementOrder(self):
"""
Test the Bond.incrementOrder() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
try:
bond.incrementOrder()
if order == 'S':
self.assertTrue(bond.isDouble())
elif order == 'D':
self.assertTrue(bond.isTriple())
except ActionError:
self.assertTrue(order in ['T','B'])
def testDecrementOrder(self):
"""
Test the Bond.decrementOrder() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
try:
bond.decrementOrder()
if order == 'D':
self.assertTrue(bond.isSingle())
elif order == 'T':
self.assertTrue(bond.isDouble())
except ActionError:
self.assertTrue(order in ['S','B'])
def testApplyActionBreakBond(self):
"""
Test the Bond.applyAction() method for a BREAK_BOND action.
"""
action = ['BREAK_BOND', '*1', 'S', '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail('Bond.applyAction() unexpectedly processed a BREAK_BOND action.')
except ActionError:
pass
def testApplyActionFormBond(self):
"""
Test the Bond.applyAction() method for a FORM_BOND action.
"""
action = ['FORM_BOND', '*1', 'S', '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail('Bond.applyAction() unexpectedly processed a FORM_BOND action.')
except ActionError:
pass
def testApplyActionIncrementBond(self):
"""
Test the Bond.applyAction() method for a CHANGE_BOND action.
"""
action = ['CHANGE_BOND', '*1', 1, '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
except ActionError:
self.assertTrue('T' == order0 or 'B' == order0)
def testApplyActionDecrementBond(self):
"""
Test the Bond.applyAction() method for a CHANGE_BOND action.
"""
action = ['CHANGE_BOND', '*1', -1, '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
except ActionError:
self.assertTrue('S' == order0 or 'B' == order0)
def testApplyActionGainRadical(self):
"""
Test the Bond.applyAction() method for a GAIN_RADICAL action.
"""
action = ['GAIN_RADICAL', '*1', 1]
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail('Bond.applyAction() unexpectedly processed a GAIN_RADICAL action.')
except ActionError:
pass
def testApplyActionLoseRadical(self):
"""
Test the Bond.applyAction() method for a LOSE_RADICAL action.
"""
action = ['LOSE_RADICAL', '*1', 1]
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail('Bond.applyAction() unexpectedly processed a LOSE_RADICAL action.')
except ActionError:
pass
def testEquivalent(self):
"""
Test the GroupBond.equivalent() method.
"""
for order1 in self.orderList:
for order2 in self.orderList:
bond1 = Bond(None, None, order=order1)
bond2 = Bond(None, None, order=order2)
if order1 == order2:
self.assertTrue(bond1.equivalent(bond2))
self.assertTrue(bond2.equivalent(bond1))
else:
self.assertFalse(bond1.equivalent(bond2))
self.assertFalse(bond2.equivalent(bond1))
def testIsSpecificCaseOf(self):
"""
Test the Bond.isSpecificCaseOf() method.
"""
for order1 in self.orderList:
for order2 in self.orderList:
bond1 = Bond(None, None, order=order1)
bond2 = Bond(None, None, order=order2)
if order1 == order2:
self.assertTrue(bond1.isSpecificCaseOf(bond2))
else:
self.assertFalse(bond1.isSpecificCaseOf(bond2))
def testCopy(self):
"""
Test the Bond.copy() method.
"""
bond = self.bond.copy()
self.assertEqual(self.bond.order, bond.order)
def testPickle(self):
"""
Test that a Bond object can be successfully pickled and
unpickled with no loss of information.
"""
import cPickle
bond = cPickle.loads(cPickle.dumps(self.bond))
self.assertEqual(self.bond.order, bond.order)
class TestBond(unittest.TestCase):
"""
Contains unit tests of the Bond class.
"""
def setUp(self):
"""
A method called before each unit test in this class.
"""
self.bond = Bond(atom1=None, atom2=None, order='D')
self.orderList = ['S', 'D', 'T', 'B']
def testIsSingle(self):
"""
Test the Bond.isSingle() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
if order == 'S':
self.assertTrue(bond.isSingle())
else:
self.assertFalse(bond.isSingle())
def testIsDouble(self):
"""
Test the Bond.isDouble() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
if order == 'D':
self.assertTrue(bond.isDouble())
else:
self.assertFalse(bond.isDouble())
def testIsTriple(self):
"""
Test the Bond.isTriple() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
if order == 'T':
self.assertTrue(bond.isTriple())
else:
self.assertFalse(bond.isTriple())
def testIsBenzene(self):
"""
Test the Bond.isBenzene() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
if order == 'B':
self.assertTrue(bond.isBenzene())
else:
self.assertFalse(bond.isBenzene())
def testIncrementOrder(self):
"""
Test the Bond.incrementOrder() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
try:
bond.incrementOrder()
if order == 'S':
self.assertTrue(bond.isDouble())
elif order == 'D':
self.assertTrue(bond.isTriple())
except ActionError:
self.assertTrue(order in ['T', 'B'])
def testDecrementOrder(self):
"""
Test the Bond.decrementOrder() method.
"""
for order in self.orderList:
bond = Bond(None, None, order=order)
try:
bond.decrementOrder()
if order == 'D':
self.assertTrue(bond.isSingle())
elif order == 'T':
self.assertTrue(bond.isDouble())
except ActionError:
self.assertTrue(order in ['S', 'B'])
def testApplyActionBreakBond(self):
"""
Test the Bond.applyAction() method for a BREAK_BOND action.
"""
action = ['BREAK_BOND', '*1', 'S', '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail(
'Bond.applyAction() unexpectedly processed a BREAK_BOND action.'
)
except ActionError:
pass
def testApplyActionFormBond(self):
"""
Test the Bond.applyAction() method for a FORM_BOND action.
"""
action = ['FORM_BOND', '*1', 'S', '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail(
'Bond.applyAction() unexpectedly processed a FORM_BOND action.'
)
except ActionError:
pass
def testApplyActionIncrementBond(self):
"""
Test the Bond.applyAction() method for a CHANGE_BOND action.
"""
action = ['CHANGE_BOND', '*1', 1, '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
except ActionError:
self.assertTrue('T' == order0 or 'B' == order0)
def testApplyActionDecrementBond(self):
"""
Test the Bond.applyAction() method for a CHANGE_BOND action.
"""
action = ['CHANGE_BOND', '*1', -1, '*2']
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
except ActionError:
self.assertTrue('S' == order0 or 'B' == order0)
def testApplyActionGainRadical(self):
"""
Test the Bond.applyAction() method for a GAIN_RADICAL action.
"""
action = ['GAIN_RADICAL', '*1', 1]
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail(
'Bond.applyAction() unexpectedly processed a GAIN_RADICAL action.'
)
except ActionError:
pass
def testApplyActionLoseRadical(self):
"""
Test the Bond.applyAction() method for a LOSE_RADICAL action.
"""
action = ['LOSE_RADICAL', '*1', 1]
for order0 in self.orderList:
bond0 = Bond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail(
'Bond.applyAction() unexpectedly processed a LOSE_RADICAL action.'
)
except ActionError:
pass
def testEquivalent(self):
"""
Test the GroupBond.equivalent() method.
"""
for order1 in self.orderList:
for order2 in self.orderList:
bond1 = Bond(None, None, order=order1)
bond2 = Bond(None, None, order=order2)
if order1 == order2:
self.assertTrue(bond1.equivalent(bond2))
self.assertTrue(bond2.equivalent(bond1))
else:
self.assertFalse(bond1.equivalent(bond2))
self.assertFalse(bond2.equivalent(bond1))
def testIsSpecificCaseOf(self):
"""
Test the Bond.isSpecificCaseOf() method.
"""
for order1 in self.orderList:
for order2 in self.orderList:
bond1 = Bond(None, None, order=order1)
bond2 = Bond(None, None, order=order2)
if order1 == order2:
self.assertTrue(bond1.isSpecificCaseOf(bond2))
else:
self.assertFalse(bond1.isSpecificCaseOf(bond2))
def testCopy(self):
"""
Test the Bond.copy() method.
"""
bond = self.bond.copy()
self.assertEqual(self.bond.order, bond.order)
def testPickle(self):
"""
Test that a Bond object can be successfully pickled and
unpickled with no loss of information.
"""
import cPickle
bond = cPickle.loads(cPickle.dumps(self.bond))
self.assertEqual(self.bond.order, bond.order)
