chemaxon.marvin.space
Class AtomProperty.SmoleculeAtomProperty

java.lang.Object
  chemaxon.marvin.space.AtomProperty.SmoleculeAtomProperty

All Implemented Interfaces:

chemaxon.struc.MoleculeIterators.AtomPropertyInterface

Enclosing class:

AtomProperty

public class AtomProperty.SmoleculeAtomProperty
extends java.lang.Object
implements chemaxon.struc.MoleculeIterators.AtomPropertyInterface

Field Summary

float[]	xCoords
float[]	yCoords
float[]	zCoords

Constructor Summary

AtomProperty.SmoleculeAtomProperty()

Method Summary

float	getBFactor(int atomIndex)
float	getCharge(int atomIndex)
java.lang.String	getLabel(int atomIndex)
float	getPartialAtomCharge(int atomIndex)
int	getResidueTypeId(int atomIndex)
int	getSecondaryStructureType(int atomIndex)
int	getType(int atomIndex)
float	getX(int atomIndex)
float	getY(int atomIndex)
float	getZ(int atomIndex)
void	setCoordinates(java.lang.Object coord, int i)
void	setMolecule(java.lang.Object mol)

Methods inherited from class java.lang.Object

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

Field Detail

xCoords

public float[] xCoords

yCoords

public float[] yCoords

zCoords

public float[] zCoords

Constructor Detail

AtomProperty.SmoleculeAtomProperty

public AtomProperty.SmoleculeAtomProperty()

Method Detail

setMolecule

public void setMolecule(java.lang.Object mol)

Specified by:

setMolecule in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface

setCoordinates

public void setCoordinates(java.lang.Object coord,
                           int i)

getType

public int getType(int atomIndex)

Specified by:

getType in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface

getLabel

public java.lang.String getLabel(int atomIndex)

Specified by:

getLabel in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface

getCharge

public float getCharge(int atomIndex)

Specified by:

getCharge in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface

getBFactor

public float getBFactor(int atomIndex)

Specified by:

getBFactor in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface

getPartialAtomCharge

public float getPartialAtomCharge(int atomIndex)
                           throws java.lang.Exception

Specified by:

getPartialAtomCharge in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface

Throws:

java.lang.Exception

getResidueTypeId

public int getResidueTypeId(int atomIndex)

Specified by:

getResidueTypeId in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface

getSecondaryStructureType

public int getSecondaryStructureType(int atomIndex)

Specified by:

getSecondaryStructureType in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface

getX

public float getX(int atomIndex)

Specified by:

getX in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface

getY

public float getY(int atomIndex)

Specified by:

getY in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface

getZ

public float getZ(int atomIndex)

Specified by:

getZ in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface