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JavaGenes, NASA Ames. Written largely by Al Globus | |||||||||
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java.lang.Objectgov.nasa.javaGenes.forceFields.MultiBodiesForOneEnergy
gov.nasa.javaGenes.forceFields.Bodies
Holds a set of bodies for a multibody potential to find the energy of
Potential
,
Serialized FormField Summary | |
OneBody[] |
oneBody
this is public for fast access. |
Fields inherited from class gov.nasa.javaGenes.forceFields.MultiBodiesForOneEnergy |
molecule, multiBodies |
Constructor Summary | |
Bodies()
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Bodies(Molecule molecule)
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Method Summary | |
void |
createArrays()
Must be called before this is handed to a potential. |
static Bodies[] |
createArrays(java.util.Vector allBodies)
converts a vector of bodies into an array of bodies and has all of the bodies convert the internal vectors into arrays for fast access |
OneBody[] |
getOneBodyArray()
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static Bodies[] |
makeMultipleMolecules(Molecule[] molecules)
Converts Molecules into Bodies untested |
void |
setSpeciesIndices(Species2IndexMap map)
set the species indices in all the bodies for fast access |
java.lang.String |
toString()
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Methods inherited from class gov.nasa.javaGenes.forceFields.MultiBodiesForOneEnergy |
add, clone, deepCopyMultiBodiesForOneEnergy, get, getBodiesNames, getMolecule, getNumberOfAtoms, makeMoleculeAndBodiesFiles, removeBodiesAboveCutoff, scaleLengthsBy, scaleLengthsByAndReturnThis, size, writeThreeBodiesToTsdFile, writeTwoBodiesToTsdFile |
Methods inherited from class java.lang.Object |
equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait |
Field Detail |
public OneBody[] oneBody
Constructor Detail |
public Bodies()
public Bodies(Molecule molecule)
Method Detail |
public OneBody[] getOneBodyArray()
public void setSpeciesIndices(Species2IndexMap map)
public static Bodies[] makeMultipleMolecules(Molecule[] molecules)
public void createArrays()
createArrays
in class MultiBodiesForOneEnergy
public static Bodies[] createArrays(java.util.Vector allBodies)
public java.lang.String toString()
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JavaGenes, NASA Ames. Written largely by Al Globus | |||||||||
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