Package net.sf.jniinchi
Class JniInchiBond
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- net.sf.jniinchi.JniInchiBond
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public class JniInchiBond extends java.lang.Object
Encapsulates properties of InChI Bond. See inchi_api.h.
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Field Summary
Fields Modifier and Type Field Description private JniInchiAtom
atomOrigin
Origin atom in bond.private JniInchiAtom
atomTarget
Target atom in bond.private INCHI_BOND_STEREO
stereo
Bond 2D stereo definition.private INCHI_BOND_TYPE
type
Bond type.
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Constructor Summary
Constructors Constructor Description JniInchiBond(JniInchiAtom atO, JniInchiAtom atT, int type, int stereo)
JniInchiBond(JniInchiAtom atO, JniInchiAtom atT, INCHI_BOND_TYPE type)
Create bond.JniInchiBond(JniInchiAtom atO, JniInchiAtom atT, INCHI_BOND_TYPE type, INCHI_BOND_STEREO stereo)
Create bond.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
debug()
Outputs information on bond, for debugging purposes.INCHI_BOND_STEREO
getBondStereo()
Returns bond stereochemistry.INCHI_BOND_TYPE
getBondType()
Returns bond type.java.lang.String
getDebugString()
Generates string representation of information on bond, for debugging purposes.(package private) int
getInchiBondStereo()
(package private) int
getInchiBondType()
JniInchiAtom
getOriginAtom()
Returns atom at bond origin.JniInchiAtom
getTargetAtom()
Returns atom at bond target.void
setStereoDefinition(INCHI_BOND_STEREO stereo)
Set 2D stereo definition.
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Field Detail
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atomOrigin
private JniInchiAtom atomOrigin
Origin atom in bond.
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atomTarget
private JniInchiAtom atomTarget
Target atom in bond.
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type
private INCHI_BOND_TYPE type
Bond type.
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stereo
private INCHI_BOND_STEREO stereo
Bond 2D stereo definition.
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Constructor Detail
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JniInchiBond
public JniInchiBond(JniInchiAtom atO, JniInchiAtom atT, INCHI_BOND_TYPE type, INCHI_BOND_STEREO stereo)
Create bond.- Parameters:
atO
- Origin atomatT
- Target atomtype
- Bond typestereo
- Bond 2D stereo definition
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JniInchiBond
JniInchiBond(JniInchiAtom atO, JniInchiAtom atT, int type, int stereo)
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JniInchiBond
public JniInchiBond(JniInchiAtom atO, JniInchiAtom atT, INCHI_BOND_TYPE type)
Create bond.- Parameters:
atO
- Origin atomatT
- Target atomtype
- Bond type
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Method Detail
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setStereoDefinition
public void setStereoDefinition(INCHI_BOND_STEREO stereo)
Set 2D stereo definition.- Parameters:
stereo
- Bond 2D stereo definition
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getOriginAtom
public JniInchiAtom getOriginAtom()
Returns atom at bond origin.- Returns:
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getTargetAtom
public JniInchiAtom getTargetAtom()
Returns atom at bond target.- Returns:
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getBondType
public INCHI_BOND_TYPE getBondType()
Returns bond type.- Returns:
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getBondStereo
public INCHI_BOND_STEREO getBondStereo()
Returns bond stereochemistry.- Returns:
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getDebugString
public java.lang.String getDebugString()
Generates string representation of information on bond, for debugging purposes.
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debug
public void debug()
Outputs information on bond, for debugging purposes.
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getInchiBondType
int getInchiBondType()
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getInchiBondStereo
int getInchiBondStereo()
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