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org.openscience.compchem
Class MFAnalyser  

java.lang.Object
  org.openscience.compchem.MFAnalyser

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public class MFAnalyser

extends java.lang.Object

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.

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Field Summary
java.lang.String	MF
Node[]	setOfNodes

 

Constructor Summary

MFAnalyser(java.lang.String MF)           Construct an instance of MFAnalyser, initialized with a molecular formula string.

 

Method Summary
private  Node[]	analyseMF(java.lang.String MF)           Method that actually does the work of analysing the molecular formula
Node[]	getSetOfHeavyNodes()           Returns a set of nodes excluding all the hydrogens
Node[]	getSetOfNodes()           returns the complete set of Nodes, as implied by the molecular formula, inlcuding all the hydrogens.

 

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

 

Field Detail

MF

public java.lang.String MF

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setOfNodes

public Node[] setOfNodes

Constructor Detail

MFAnalyser

public MFAnalyser(java.lang.String MF)

Construct an instance of MFAnalyser, initialized with a molecular formula string. The string is immediatly analysed and a set of Nodes is built based on this analysis

Method Detail

getSetOfNodes

public Node[] getSetOfNodes()

returns the complete set of Nodes, as implied by the molecular formula, inlcuding all the hydrogens.

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getSetOfHeavyNodes

public Node[] getSetOfHeavyNodes()

Returns a set of nodes excluding all the hydrogens

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analyseMF

private Node[] analyseMF(java.lang.String MF)

Method that actually does the work of analysing the molecular formula

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Overview  Package   Class  Use  Deprecated  Index
Home >> All >> org >> openscience >> [ compchem overview ]	PREV CLASS  NEXT CLASS
SUMMARY:  JAVADOC |  SOURCE |  DOWNLOAD | NESTED | FIELD | CONSTR | METHOD	DETAIL: FIELD | CONSTR | METHOD

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