Package net.sf.jniinchi

Class JniInchiBond

java.lang.Object

net.sf.jniinchi.JniInchiBond

public class JniInchiBond
extends Object

Encapsulates properties of InChI Bond. See inchi_api.h.

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.

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.

Method Summary

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.
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.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Details

atomOrigin

private JniInchiAtom atomOrigin

Origin atom in bond.

atomTarget

private JniInchiAtom atomTarget

Target atom in bond.

type

private INCHI_BOND_TYPE type

Bond type.

stereo

private INCHI_BOND_STEREO stereo

Bond 2D stereo definition.

Constructor Details

JniInchiBond

public JniInchiBond(JniInchiAtom atO,
 JniInchiAtom atT,
 INCHI_BOND_TYPE type,
 INCHI_BOND_STEREO stereo)

Create bond.

Parameters:

atO - Origin atom

atT - Target atom

type - Bond type

stereo - Bond 2D stereo definition

JniInchiBond

JniInchiBond(JniInchiAtom atO,
 JniInchiAtom atT,
 int type,
 int stereo)

JniInchiBond

public JniInchiBond(JniInchiAtom atO,
 JniInchiAtom atT,
 INCHI_BOND_TYPE type)

Create bond.

Parameters:

atO - Origin atom

atT - Target atom

type - Bond type

Method Details

setStereoDefinition

public void setStereoDefinition(INCHI_BOND_STEREO stereo)

Set 2D stereo definition.

Parameters:

stereo - Bond 2D stereo definition

getOriginAtom

public JniInchiAtom getOriginAtom()

Returns atom at bond origin.

Returns:

getTargetAtom

public JniInchiAtom getTargetAtom()

Returns atom at bond target.

Returns:

getBondType

public INCHI_BOND_TYPE getBondType()

Returns bond type.

Returns:

getBondStereo

public INCHI_BOND_STEREO getBondStereo()

Returns bond stereochemistry.

Returns:

getDebugString

public String getDebugString()

Generates string representation of information on bond, for debugging purposes.

debug

public void debug()

Outputs information on bond, for debugging purposes.

getInchiBondType

int getInchiBondType()

getInchiBondStereo

int getInchiBondStereo()