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

All Implemented Interfaces:: chemaxon.struc.MoleculeIterators.AtomPropertyInterface

Enclosing class:: AtomProperty

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

Field Summary

Fields
Modifier and Type Field Description

float[] xCoords

float[] yCoords

float[] zCoords

Constructor Summary

Constructors
Constructor Description

SmoleculeAtomProperty()

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`float`	`getBFactor(int atomIndex)`
`float`	`getCharge(int atomIndex)`
`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(Object coord, int i)`
`void`	`setMolecule(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
  - SmoleculeAtomProperty
```
public SmoleculeAtomProperty()
```
- Method Detail
  - setMolecule
```
public void setMolecule(Object mol)
```
    Specified by:
    
    setMolecule in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
  - setCoordinates
```
public void setCoordinates(Object coord,
                           int i)
```
  - getType
```
public int getType(int atomIndex)
```
    Specified by:
    
    getType in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
  - getLabel
```
public 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 Exception
```
    Specified by:
    
    getPartialAtomCharge in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    
    Throws:
    
    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

Fields
Modifier and Type	Field	Description
`float[]`	`xCoords`
`float[]`	`yCoords`
`float[]`	`zCoords`

Class AtomProperty.SmoleculeAtomProperty

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

xCoords

yCoords

zCoords

Constructor Detail

SmoleculeAtomProperty

Method Detail

setMolecule

setCoordinates

getType

getLabel

getCharge

getBFactor

getPartialAtomCharge

getResidueTypeId

getSecondaryStructureType

getX

getY

getZ