org.biojava.bio.structure
Class AtomImpl

java.lang.Object
  extended by org.biojava.bio.structure.AtomImpl
All Implemented Interfaces:
Atom

public class AtomImpl
extends java.lang.Object
implements Atom

Implementation of an Atom of a PDB file. currently the coordinates of an atom are represented by a doubl[3] array.

Since:
1.4
Version:
%I% %G%
Author:
Andreas Prlic

Constructor Summary
AtomImpl()
           
 
Method Summary
 java.lang.Object clone()
          returns and identical copy of this object .
 java.lang.Character getAltLoc()
          get alternate Location.
 double[] getCoords()
          get the coordinates as a double[3] array .
 java.lang.String getFullName()
          get full name of atom e.g.
 java.lang.String getName()
          Gets this object's name.
 double getOccupancy()
          get occupancy.
 Group getParent()
          Returns the parent Group of the Atom returns null if the referenced object is not Group
 java.lang.String getPDBline()
          get the whole line .
 int getPDBserial()
          get PDB atom number.
 double getTempFactor()
          get set temp factor.
 double getX()
          get the X coordinate.
 double getY()
          get the Y coordinate.
 double getZ()
          get the Z coordinate.
 void setAltLoc(java.lang.Character c)
          set alternate Location.
 void setCoords(double[] c)
          the coordinates.
 void setFullName(java.lang.String s)
          set full name of atom e.g.
 void setName(java.lang.String s)
          trimmed version of atom name, e.g.
 void setOccupancy(double occu)
          set occupancy.
 void setParent(Group parent)
          Sets the back-reference to its parent Group
 void setPDBline(java.lang.String s)
          store the whole line.
 void setPDBserial(int i)
          set PDB atom number.
 void setTempFactor(double temp)
          get set temp factor .
 void setX(double x)
          set the X coordinate
 void setY(double y)
          set the Y coordinate
 void setZ(double z)
          set the Z coordinate
 java.lang.String toString()
          string representation.
 
Methods inherited from class java.lang.Object
equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait
 

Constructor Detail

AtomImpl

public AtomImpl()
Method Detail

setName

public void setName(java.lang.String s)
trimmed version of atom name, e.g. "CA"

Specified by:
setName in interface Atom
Parameters:
s - a String specifying the name value
See Also:
getName()

getName

public java.lang.String getName()
Gets this object's name.

Specified by:
getName in interface Atom
Returns:
a String representing the name value
See Also:
setName(java.lang.String)

setFullName

public void setFullName(java.lang.String s)
set full name of atom e.g. " CA " .

Specified by:
setFullName in interface Atom
Parameters:
s - a String specifying the full name value
See Also:
getFullName()

getFullName

public java.lang.String getFullName()
get full name of atom e.g. " CA ".

Specified by:
getFullName in interface Atom
Returns:
a String representing the full name value
See Also:
setFullName(java.lang.String)

setPDBserial

public void setPDBserial(int i)
set PDB atom number.

Specified by:
setPDBserial in interface Atom
Parameters:
i - an int specifying the PDBserial value
See Also:
getPDBserial()

getPDBserial

public int getPDBserial()
get PDB atom number.

Specified by:
getPDBserial in interface Atom
Returns:
an int representing the PDBserial value
See Also:
setPDBserial(int)

setCoords

public void setCoords(double[] c)
the coordinates.

Specified by:
setCoords in interface Atom
Parameters:
c - an array of doubles specifying the coords value
See Also:
getCoords()

getCoords

public double[] getCoords()
get the coordinates as a double[3] array .

Specified by:
getCoords in interface Atom
Returns:
an array of doubles representing the coords value
See Also:
setCoords(double[])

setX

public void setX(double x)
Description copied from interface: Atom
set the X coordinate

Specified by:
setX in interface Atom
Parameters:
x - a double

setY

public void setY(double y)
Description copied from interface: Atom
set the Y coordinate

Specified by:
setY in interface Atom
Parameters:
y - a double

setZ

public void setZ(double z)
Description copied from interface: Atom
set the Z coordinate

Specified by:
setZ in interface Atom
Parameters:
z - a double

getX

public double getX()
get the X coordinate.

Specified by:
getX in interface Atom
Returns:
a double

getY

public double getY()
get the Y coordinate.

Specified by:
getY in interface Atom
Returns:
a double

getZ

public double getZ()
get the Z coordinate.

Specified by:
getZ in interface Atom
Returns:
a double

setAltLoc

public void setAltLoc(java.lang.Character c)
set alternate Location.

Specified by:
setAltLoc in interface Atom
Parameters:
c - a Character object specifying the alt loc value
See Also:
getAltLoc()

getAltLoc

public java.lang.Character getAltLoc()
get alternate Location.

Specified by:
getAltLoc in interface Atom
Returns:
a Character object representing the alt loc value
See Also:
setAltLoc(java.lang.Character)

setPDBline

public void setPDBline(java.lang.String s)
store the whole line.

Specified by:
setPDBline in interface Atom
Parameters:
s - a String specifying the PDBline value
See Also:
getPDBline()

getPDBline

public java.lang.String getPDBline()
get the whole line .

Specified by:
getPDBline in interface Atom
Returns:
a String representing the PDBline value
See Also:
setPDBline(java.lang.String)

toString

public java.lang.String toString()
string representation.

Overrides:
toString in class java.lang.Object

setOccupancy

public void setOccupancy(double occu)
Description copied from interface: Atom
set occupancy.

Specified by:
setOccupancy in interface Atom
Parameters:
occu - a double specifying the occupancy value
See Also:
Atom.getOccupancy()

getOccupancy

public double getOccupancy()
Description copied from interface: Atom
get occupancy.

Specified by:
getOccupancy in interface Atom
Returns:
a double representing the occupancy value
See Also:
Atom.setOccupancy(double)

setTempFactor

public void setTempFactor(double temp)
Description copied from interface: Atom
get set temp factor .

Specified by:
setTempFactor in interface Atom
Parameters:
temp - a double specifying the temp factor value
See Also:
Atom.getTempFactor()

getTempFactor

public double getTempFactor()
Description copied from interface: Atom
get set temp factor.

Specified by:
getTempFactor in interface Atom
Returns:
a double representing the temp factor value
See Also:
Atom.setTempFactor(double)

clone

public java.lang.Object clone()
returns and identical copy of this object .

Specified by:
clone in interface Atom
Overrides:
clone in class java.lang.Object
Returns:
and identical copy of this object

setParent

public void setParent(Group parent)
Description copied from interface: Atom
Sets the back-reference to its parent Group

Specified by:
setParent in interface Atom
Parameters:
parent - the parent Group

getParent

public Group getParent()
Description copied from interface: Atom
Returns the parent Group of the Atom returns null if the referenced object is not Group

Specified by:
getParent in interface Atom
Returns:
Group the parent Group of the Atom, or null