public class Atom
extends java.lang.Object
implements java.io.Serializable, java.lang.Cloneable
Constructor and Description |
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Atom(double[] position,
int type)
Create a new atom
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Modifier and Type | Method and Description |
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Atom |
clone() |
boolean |
equals(java.lang.Object obj) |
Cell |
getCell()
Get cell that contains this atom
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int |
getID()
Get the ID number of this atom
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double[] |
getPosition()
Get fractional coordinates of this atom.
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double[] |
getPositionCartesian()
Get Cartesian coordinates of this atom
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double |
getRadius()
Get radius of atom
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int |
getType()
Get type of this atom.
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java.lang.String |
getTypeName()
Get type of this atom.
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void |
setCell(Cell cell)
Define the cell in which this atom is situated
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void |
setID(int ID)
Set the ID number of this atom
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void |
setRadius(double Radius)
Set radius of atom
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void |
setType(int type)
Set type of atom
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void |
updateCartesianCoordinates()
Recompute the Cartesian coordinates of this atom.
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public Atom(double[] position, int type)
position
- Position in fractional coordinatestype
- Type (index)public Atom clone()
clone
in class java.lang.Object
public boolean equals(java.lang.Object obj)
equals
in class java.lang.Object
public void setID(int ID)
ID
- Desired IDpublic void setType(int type)
type
- Index of typepublic void setCell(Cell cell)
cell
- Cellpublic void updateCartesianCoordinates()
Cell.setBasis(double[][])
public Cell getCell()
public double[] getPosition()
public double[] getPositionCartesian()
public void setRadius(double Radius)
Radius
- Radiuspublic double getRadius()
public int getID()
public int getType()
public java.lang.String getTypeName()