toxTree.query
Class MolFlags
java.lang.Object
toxTree.query.MolFlags
public class MolFlags
- extends java.lang.Object
- Author:
- Nina Jeliazkova
Modified 2005-8-3
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait |
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
MolFlags
public MolFlags()
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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