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.

Author:

Sam Adams

Constructor Summary

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

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.
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

Constructor Detail

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

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

Create bond.

Parameters:

atO - Origin atom

atT - Target atom

type - Bond type

Method Detail

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.