toxTree.data
Class MoleculesIterator
java.lang.Object
toxTree.data.MoleculesIterator
- All Implemented Interfaces:
- java.util.Iterator, IMoleculesIterator
- Direct Known Subclasses:
- FilteredMoleculesIterator
public class MoleculesIterator
- extends java.lang.Object
- implements IMoleculesIterator
Contains molecules
- loaded from a file,
- entered by SMILES
SmilesEntryPanel
- entered by structure diagram editor
toxTree.ui.molecule.JChemPaintDialog
- Author:
- Nina Jeliazkova
Modified 2005-9-3
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait |
containers
protected ListOfAtomContainers containers
currentNo
protected int currentNo
logger
protected static TTLogger logger
status
protected int status
filename
protected java.lang.String filename
MoleculesIterator
public MoleculesIterator()
remove
public void remove()
- Specified by:
remove
in interface java.util.Iterator
getAtomContainer
public org.openscience.cdk.interfaces.IAtomContainer getAtomContainer(int index)
- Specified by:
getAtomContainer
in interface IMoleculesIterator
hasNext
public boolean hasNext()
- Specified by:
hasNext
in interface java.util.Iterator
next
public java.lang.Object next()
- Specified by:
next
in interface java.util.Iterator
getMolecules
public org.openscience.cdk.interfaces.IAtomContainer[] getMolecules()
- Specified by:
getMolecules
in interface IMoleculesIterator
- Returns:
- Returns the molecules.
setMolecules
public void setMolecules(java.util.List molecules)
- Specified by:
setMolecules
in interface IMoleculesIterator
- Parameters:
molecules
- The molecules to set.
getCurrentNo
public int getCurrentNo()
- Specified by:
getCurrentNo
in interface IMoleculesIterator
- Returns:
- Returns the currentNo.
clear
public void clear()
- Specified by:
clear
in interface IMoleculesIterator
prev
public java.lang.Object prev()
- Specified by:
prev
in interface IMoleculesIterator
first
public java.lang.Object first()
- Specified by:
first
in interface IMoleculesIterator
last
public java.lang.Object last()
- Specified by:
last
in interface IMoleculesIterator
setCurrentNo
public org.openscience.cdk.interfaces.IAtomContainer setCurrentNo(int record)
- Specified by:
setCurrentNo
in interface IMoleculesIterator
getMolecule
public org.openscience.cdk.interfaces.IAtomContainer getMolecule()
- Specified by:
getMolecule
in interface IMoleculesIterator
- Returns:
- Returns the molecule.
getMoleculesCount
public int getMoleculesCount()
- Specified by:
getMoleculesCount
in interface IMoleculesIterator
addMolecule
public void addMolecule(org.openscience.cdk.interfaces.IAtomContainer mol)
- Specified by:
addMolecule
in interface IMoleculesIterator
setMolecule
public void setMolecule(org.openscience.cdk.interfaces.IAtomContainer mol)
- Specified by:
setMolecule
in interface IMoleculesIterator
useIterativeReader
protected void useIterativeReader(java.io.InputStream in)
openFile
public java.util.List openFile(java.io.File input)
throws ToxTreeIOException
- Specified by:
openFile
in interface IMoleculesIterator
- Throws:
ToxTreeIOException
saveFile
public void saveFile(java.io.File output)
throws ToxTreeIOException
- Specified by:
saveFile
in interface IMoleculesIterator
- Throws:
ToxTreeIOException
isReading
public boolean isReading()
- Specified by:
isReading
in interface IMoleculesIterator
isWriting
public boolean isWriting()
- Specified by:
isWriting
in interface IMoleculesIterator
getStatus
public java.lang.String getStatus()
- Specified by:
getStatus
in interface IMoleculesIterator
setReading
public void setReading()
- Specified by:
setReading
in interface IMoleculesIterator
setWriting
public void setWriting()
- Specified by:
setWriting
in interface IMoleculesIterator
setDone
public void setDone(boolean success)
- Specified by:
setDone
in interface IMoleculesIterator
toString
public java.lang.String toString()
- Overrides:
toString
in class java.lang.Object
getSetOfAtomContainers
public org.openscience.cdk.interfaces.IMoleculeSet getSetOfAtomContainers()
getMoleculeForEdit
public org.openscience.cdk.interfaces.IMoleculeSet getMoleculeForEdit()
throws java.lang.Exception
- Specified by:
getMoleculeForEdit
in interface IMoleculesIterator
- Throws:
java.lang.Exception
getFilename
public java.lang.String getFilename()
- Specified by:
getFilename
in interface IMoleculesIterator
getContainers
protected ListOfAtomContainers getContainers()
Copyright © 2004-2012 Ideaconsult Ltd.. All Rights Reserved.