gov.nasa.javaGenes.forceFields
Class ManyMultiBodiesForOneEnergy
java.lang.Object
gov.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
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
molecules
protected java.util.Vector molecules
multiBodies
protected java.util.Vector multiBodies
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)
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()