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• org.openscience.compchem: Javadoc index of package org.openscience.compchem.


Package Samples:

• org.openscience.compchem

Classes:

• 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.
• 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
• LIFOQueue: A LIFO queue for result structures. The Size is fixed so that one can use this to hold the 10 best structures, e. g.
• Node: Node.java An atom in the chemical graph represented by number, chemical symbol and some other attributes
• setOfRings: Implementation of a set of Rings. Maintains a Vector "rings" to store "ring" objects
• StandardElements: StandardsIsotopes.java Used to store data of a particular isotope
• StandardIsotopes: StandardsIsotopes.java Used to store data of a particular isotope
• Element: Elemement.java Used to store data of a particular Element
• Isotope: Isotope.java Used to store data of a particular isotope
• Ring: Ring.java A collection of nodes that make up a ring
• DPoint: A point with two double precision coordinates
• Queue: Implementation of a Queue (FIFO stack)
• DataStructureTools
• Edge
• IsomorphismTester
• SetOfRingsFinder
• Sorter

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