本文整理匯總了Python中rmgpy.molecule.group.GroupBond.getOrderNum方法的典型用法代碼示例。如果您正苦於以下問題：Python GroupBond.getOrderNum方法的具體用法？Python GroupBond.getOrderNum怎麽用？Python GroupBond.getOrderNum使用的例子？那麽, 這裏精選的方法代碼示例或許可以為您提供幫助。您也可以進一步了解該方法所在類rmgpy.molecule.group.GroupBond的用法示例。
在下文中一共展示了GroupBond.getOrderNum方法的1個代碼示例，這些例子默認根據受歡迎程度排序。您可以為喜歡或者感覺有用的代碼點讚，您的評價將有助於係統推薦出更棒的Python代碼示例。
示例1: TestGroupBond
# 需要導入模塊: from rmgpy.molecule.group import GroupBond [as 別名]
# 或者: from rmgpy.molecule.group.GroupBond import getOrderNum [as 別名]
class TestGroupBond(unittest.TestCase):
"""
Contains unit tests of the GroupBond class.
"""
def setUp(self):
"""
A method called before each unit test in this class.
"""
self.bond = GroupBond(None, None, order=[2])
self.orderList = [[1], [2], [3], [1.5], [1,2], [2,1], [2,3], [1,2,3]]
def testGetOrderStr(self):
"""
test the Bond.getOrderStr() method
"""
bond = GroupBond(None,None,order = [1,2,3,1.5])
self.assertEqual(bond.getOrderStr(),['S','D','T','B'])
def testSetOrderStr(self):
"""
test the Bond.setOrderStr() method
"""
self.bond.setOrderStr(["B",'T'])
self.assertEqual(set(self.bond.order), set([3,1.5]))
def testGetOrderNum(self):
"""
test the Bond.getOrderNum() method
"""
self.assertEqual(self.bond.getOrderNum(),[2])
def testSetOrderNum(self):
"""
test the Bond.setOrderNum() method
"""
self.bond.setOrderNum([3,1,2])
self.assertEqual(self.bond.getOrderStr(),['T','S','D'])
def testApplyActionBreakBond(self):
"""
Test the GroupBond.applyAction() method for a BREAK_BOND action.
"""
action = ['BREAK_BOND', '*1', 1, '*2']
for order0 in self.orderList:
bond0 = GroupBond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail('GroupBond.applyAction() unexpectedly processed a BREAK_BOND action.')
except ActionError:
pass
def testApplyActionFormBond(self):
"""
Test the GroupBond.applyAction() method for a FORM_BOND action.
"""
action = ['FORM_BOND', '*1', 1, '*2']
for order0 in self.orderList:
bond0 = GroupBond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
self.fail('GroupBond.applyAction() unexpectedly processed a FORM_BOND action.')
except ActionError:
pass
def testApplyActionIncrementBond(self):
"""
Test the GroupBond.applyAction() method for a CHANGE_BOND action.
"""
action = ['CHANGE_BOND', '*1', 1, '*2']
for order0 in self.orderList:
bond0 = GroupBond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
except ActionError:
self.assertTrue(3 in order0 or 1.5 in order0)
def testApplyActionDecrementBond(self):
"""
Test the GroupBond.applyAction() method for a CHANGE_BOND action.
"""
action = ['CHANGE_BOND', '*1', -1, '*2']
for order0 in self.orderList:
bond0 = GroupBond(None, None, order=order0)
bond = bond0.copy()
try:
bond.applyAction(action)
except ActionError:
self.assertTrue(1 in order0 or 1.5 in order0)
def testApplyActionGainRadical(self):
"""
Test the GroupBond.applyAction() method for a GAIN_RADICAL action.
"""
#.........這裏部分代碼省略.........