@TestClass(value="org.openscience.cdk.smsd.tools.BondEnergiesTest") public class BondEnergies extends Object
Modifier | Constructor and Description |
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protected |
BondEnergies() |
Modifier and Type | Method and Description |
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int |
getEnergies(IAtom sourceAtom,
IAtom targetAtom,
IBond.Order bondOrder)
Returns bond energy for a bond type, given atoms and bond type
|
int |
getEnergies(IBond bond)
Returns bond energy for a bond type, given atoms and bond type
|
int |
getEnergies(String sourceAtom,
String targetAtom,
IBond.Order bondOrder)
Returns bond energy for a bond type, given atoms and bond type
|
static BondEnergies |
getInstance()
Returns Singleton pattern instance for the Bond Energy class
|
@TestMethod(value="testGetInstance") public static BondEnergies getInstance() throws CDKException
CDKException
@TestMethod(value="testGetEnergies") public int getEnergies(IAtom sourceAtom, IAtom targetAtom, IBond.Order bondOrder)
sourceAtom
- First bondEnergytargetAtom
- Second bondEnergybondOrder
- (single, double etc)@TestMethod(value="testGetEnergies") public int getEnergies(String sourceAtom, String targetAtom, IBond.Order bondOrder)
sourceAtom
- First bondEnergytargetAtom
- Second bondEnergybondOrder
- (single, double etc)@TestMethod(value="testGetEnergies") public int getEnergies(IBond bond)
bond
- (single, double etc)Copyright © 2014. All Rights Reserved.