toxTree.query

Class MolFlags

java.lang.Object

toxTree.query.MolFlags

public class MolFlags
extends Object

Author:

Nina Jeliazkova
Modified 2005-8-3

Field Summary

Fields

Modifier and Type	Field and Description
protected boolean	acetylenic
protected boolean	alicyclic
protected boolean	aliphatic
protected boolean	analysed
protected boolean	aromatic
protected int	aromaticRings
protected boolean	heteroaromatic
protected boolean	heterocyclic
protected boolean	heterocyclic3
protected org.openscience.cdk.interfaces.IAtomContainerSet	hydrolysisProducts
protected static Logger	logger
static String	MOLFLAGS
protected boolean	openChain
static String	PARENT
protected org.openscience.cdk.interfaces.IAtomContainerSet	residues
protected org.openscience.cdk.interfaces.IRingSet	ringset

Constructor Summary

Constructors

Constructor and Description
MolFlags()

Method Summary

Modifier and Type	Method and Description
void	addResidue(org.openscience.cdk.interfaces.IAtomContainer residue)
void	clear()
int	getAromaticRings()
org.openscience.cdk.interfaces.IAtomContainerSet	getHydrolysisProducts()
org.openscience.cdk.interfaces.IAtomContainerSet	getResidues()
org.openscience.cdk.interfaces.IRingSet	getRingset()
boolean	isAcetylenic()
boolean	isAlicyclic()
boolean	isAliphatic()
boolean	isAnalysed()
boolean	isAromatic()
boolean	isHeteroaromatic()
boolean	isHeterocyclic()
boolean	isHeterocyclic3()
boolean	isOpenChain()
void	setAcetylenic(boolean acetylenic)
void	setAlicyclic(boolean alicyclic)
void	setAliphatic(boolean aliphatic)
void	setAnalysed(boolean analysed)
void	setAromatic(boolean aromatic)
void	setAromaticRings(int aromaticRings)
void	setHeteroaromatic(boolean heteroaromatic)
void	setHeterocyclic(boolean heterocyclic)
void	setHeterocyclic3(boolean heterocyclic3)
void	setHydrolysisProducts(org.openscience.cdk.interfaces.IAtomContainerSet hydrolysisProducts)
void	setOpenChain(boolean openChain)
void	setResidues(org.openscience.cdk.interfaces.IAtomContainerSet residues)
void	setRingset(org.openscience.cdk.interfaces.IRingSet ringset)
String	toString()

Methods inherited from class java.lang.Object

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

Field Detail

logger

protected static transient Logger logger

MOLFLAGS

public static final String MOLFLAGS

See Also:

Constant Field Values

PARENT

public static final String PARENT

See Also:

Constant Field Values

analysed

protected boolean analysed

openChain

protected boolean openChain

aliphatic

protected boolean aliphatic

alicyclic

protected boolean alicyclic

acetylenic

protected boolean acetylenic

aromatic

protected boolean aromatic

heteroaromatic

protected boolean heteroaromatic

heterocyclic

protected boolean heterocyclic

heterocyclic3

protected boolean heterocyclic3

aromaticRings

protected int aromaticRings

ringset

protected org.openscience.cdk.interfaces.IRingSet ringset

hydrolysisProducts

protected org.openscience.cdk.interfaces.IAtomContainerSet hydrolysisProducts

residues

protected org.openscience.cdk.interfaces.IAtomContainerSet residues

Constructor Detail

MolFlags

public MolFlags()

Method Detail

clear

public void clear()

isAcetylenic

public boolean isAcetylenic()

setAcetylenic

public void setAcetylenic(boolean acetylenic)

isAlicyclic

public boolean isAlicyclic()

setAlicyclic

public void setAlicyclic(boolean alicyclic)

isAliphatic

public boolean isAliphatic()

setAliphatic

public void setAliphatic(boolean aliphatic)

isAnalysed

public boolean isAnalysed()

setAnalysed

public void setAnalysed(boolean analysed)

isAromatic

public boolean isAromatic()

setAromatic

public void setAromatic(boolean aromatic)

isHeterocyclic

public boolean isHeterocyclic()

setHeterocyclic

public void setHeterocyclic(boolean heterocyclic)

getRingset

public org.openscience.cdk.interfaces.IRingSet getRingset()

setRingset

public void setRingset(org.openscience.cdk.interfaces.IRingSet ringset)

isHeteroaromatic

public boolean isHeteroaromatic()

setHeteroaromatic

public void setHeteroaromatic(boolean heteroaromatic)

isHeterocyclic3

public boolean isHeterocyclic3()

setHeterocyclic3

public void setHeterocyclic3(boolean heterocyclic3)

getAromaticRings

public int getAromaticRings()

setAromaticRings

public void setAromaticRings(int aromaticRings)

isOpenChain

public boolean isOpenChain()

setOpenChain

public void setOpenChain(boolean openChain)

getHydrolysisProducts

public org.openscience.cdk.interfaces.IAtomContainerSet getHydrolysisProducts()

Returns:

Returns the hydrolysisProducts.

setHydrolysisProducts

public void setHydrolysisProducts(org.openscience.cdk.interfaces.IAtomContainerSet hydrolysisProducts)

Parameters:

hydrolysisProducts - The hydrolysisProducts to set.

getResidues

public org.openscience.cdk.interfaces.IAtomContainerSet getResidues()

Returns:

Returns the residues.

setResidues

public void setResidues(org.openscience.cdk.interfaces.IAtomContainerSet residues)

Parameters:

residues - The residues to set.

addResidue

public void addResidue(org.openscience.cdk.interfaces.IAtomContainer residue)

toString

public String toString()

Overrides:

toString in class Object