toxTree.query
Class MolFlags

java.lang.Object
  extended by toxTree.query.MolFlags

public class MolFlags
extends java.lang.Object

Author:
Nina Jeliazkova
Modified 2005-8-3

Field Summary
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 TTLogger logger
           
static java.lang.String MOLFLAGS
           
protected  boolean openChain
           
static java.lang.String PARENT
           
protected  org.openscience.cdk.interfaces.IAtomContainerSet residues
           
protected  org.openscience.cdk.interfaces.IRingSet ringset
           
 
Constructor Summary
MolFlags()
           
 
Method Summary
 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)
           
 java.lang.String toString()
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait
 

Field Detail

logger

protected static TTLogger logger

MOLFLAGS

public static final java.lang.String MOLFLAGS
See Also:
Constant Field Values

PARENT

public static final java.lang.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 java.lang.String toString()
Overrides:
toString in class java.lang.Object


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