JavaGenes, NASA Ames. Written largely by Al Globus

Package gov.nasa.javaGenes.chemistry

Class Summary
Atom Represent a chemical atom.
Atom.ExtendedTypeKey Represents the extended type of this atom for use as a hashtable key.
AtomTest  
Benzene A benzene molecule.
Bond Represent a chemical bond.
Constants  
Element represents elements in the periodic table.
Molecule note: during evolution Graph objects will be created from Molecule populations.
MoleculeIndividual represents an individual molecule
MoleculeLayout would usually have one static method called main (it's called tasks here to get around a development environment problem).
MoleculeMain  
MoleculeParameters  
MoleculePopulation  
Molecules  
MoleculeTest  
MoleculeTwoVertexCrossover Implement the molecule specific part of the crossover operator described in "JavaGenes: Evolving Graphs with Crossover," Al Globus, Sean Atsatt, John Lawton, Todd Wipke.
molFormat read and write mol files representing molecules
Purine  
Pyridine  
randomizeManyMolecules  
randomizeXYZ  
RunMolecule run a genetic algorithm on a Molecule represented as a graph
UnitCell  
UnitCellNone a 'unit cell' that is not a unit cell at all.
UnitCellTest  
xyzFormat read and write mol files representing molecules
 


JavaGenes, NASA Ames. Written largely by Al Globus