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Package org.openscience.compchem

Class Summary
ChemFileUtils A collection of static methods to return an array of Nodes from various commonly used file formats, so far only MDL Mol files and SMILES strings
DataStructureTools  
DPoint A point with two double precision coordinates
Edge  
Element Elemement.java Used to store data of a particular Element
IsomorphismTester  
Isotope Isotope.java Used to store data of a particular isotope
LIFOQueue A LIFO queue for result structures.
MFAnalyser MFAnalyser.java Analyses a molecular formula given in String format and builds set of org.openscience.compchem.Node's reflecting the elements as given by the molecular formula.
Node Node.java An atom in the chemical graph represented by number, chemical symbol and some other attributes
Queue Implementation of a Queue (FIFO stack)
Ring Ring.java A collection of nodes that make up a ring
setOfRings Implementation of a set of Rings.
SetOfRingsFinder  
Sorter  
StandardElements StandardsIsotopes.java Used to store data of a particular isotope
StandardIsotopes StandardsIsotopes.java Used to store data of a particular isotope