JavaGenes, NASA Ames. Written largely by Al Globus

gov.nasa.javaGenes.forceFields
Class ManyMultiBodiesForOneEnergy

java.lang.Object
  extended bygov.nasa.javaGenes.forceFields.ManyMultiBodiesForOneEnergy
All Implemented Interfaces:
java.io.Serializable

public class ManyMultiBodiesForOneEnergy
extends java.lang.Object
implements java.io.Serializable

See Also:
Serialized Form

Field Summary
protected  java.util.Vector molecules
           
protected  java.util.Vector multiBodies
           
 
Constructor Summary
ManyMultiBodiesForOneEnergy()
           
ManyMultiBodiesForOneEnergy(Potential potential, java.lang.String xyzFilename)
           
ManyMultiBodiesForOneEnergy(java.lang.String xyzFilename)
           
ManyMultiBodiesForOneEnergy(java.lang.String xyzFilename, double lengthScale)
           
 
Method Summary
 void add(MultiBodiesForOneEnergy m)
           
 void createArrays()
           
 java.lang.String[] getBodiesNames()
           
 double getEnergy(int i)
          only works if a proper (xyz) molecule with an energy value is there!
 DataTable getLengthsAndAngles()
           
 Molecule getMolecule(int i)
           
 MultiBodiesForOneEnergy getMultiBodies(int i)
           
 void removeBodiesAboveCutoff(Potential form)
           
 void scaleLengthsBy(double lengthScale)
           
 int size()
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

molecules

protected java.util.Vector molecules

multiBodies

protected java.util.Vector multiBodies
Constructor Detail

ManyMultiBodiesForOneEnergy

public ManyMultiBodiesForOneEnergy()

ManyMultiBodiesForOneEnergy

public ManyMultiBodiesForOneEnergy(java.lang.String xyzFilename)

ManyMultiBodiesForOneEnergy

public ManyMultiBodiesForOneEnergy(Potential potential,
                                   java.lang.String xyzFilename)

ManyMultiBodiesForOneEnergy

public ManyMultiBodiesForOneEnergy(java.lang.String xyzFilename,
                                   double lengthScale)
Method Detail

getEnergy

public double getEnergy(int i)
only works if a proper (xyz) molecule with an energy value is there!


add

public void add(MultiBodiesForOneEnergy m)

removeBodiesAboveCutoff

public void removeBodiesAboveCutoff(Potential form)

createArrays

public void createArrays()

scaleLengthsBy

public void scaleLengthsBy(double lengthScale)

getLengthsAndAngles

public DataTable getLengthsAndAngles()

getBodiesNames

public java.lang.String[] getBodiesNames()

getMultiBodies

public MultiBodiesForOneEnergy getMultiBodies(int i)

getMolecule

public Molecule getMolecule(int i)

size

public int size()

JavaGenes, NASA Ames. Written largely by Al Globus