@Deprecated public class BondEnergies extends Object
Modifier | Constructor and Description |
---|---|
protected |
BondEnergies()
Deprecated.
|
Modifier and Type | Method and Description |
---|---|
int |
getEnergies(IAtom sourceAtom,
IAtom targetAtom,
IBond.Order bondOrder)
Deprecated.
Returns bond energy for a bond type, given atoms and bond type
|
int |
getEnergies(IBond bond)
Deprecated.
Returns bond energy for a bond type, given atoms and bond type
|
int |
getEnergies(String sourceAtom,
String targetAtom,
IBond.Order bondOrder)
Deprecated.
Returns bond energy for a bond type, given atoms and bond type
|
static BondEnergies |
getInstance()
Deprecated.
Returns Singleton pattern instance for the Bond Energy class
|
public static BondEnergies getInstance() throws CDKException
CDKException
public int getEnergies(IAtom sourceAtom, IAtom targetAtom, IBond.Order bondOrder)
sourceAtom
- First bondEnergytargetAtom
- Second bondEnergybondOrder
- (single, double etc)public int getEnergies(String sourceAtom, String targetAtom, IBond.Order bondOrder)
sourceAtom
- First bondEnergytargetAtom
- Second bondEnergybondOrder
- (single, double etc)public int getEnergies(IBond bond)
bond
- (single, double etc)Copyright © 2022. All rights reserved.