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org::openscience::cdk::aromaticity::HueckelAromaticityDetector Class Reference

List of all members.


Detailed Description

The HueckelAromaticityDetector detects the aromaticity based on the Hueckel 4n+2 pi-electrons Rule. This is done by one of the detectAromaticity methods. They set the aromaticity flags of appropriate Atoms, Bonds and Rings. After the detection, you can use getFlag(CDKConstants.ISAROMATIC) on these ChemObjects.

Author:
steinbeck

kaihartmann .module standard .created 2001-09-04

See also:
org.openscience.cdk.CDKConstants

Definition at line 52 of file HueckelAromaticityDetector.java.


Static Public Member Functions

static boolean detectAromaticity (IAtomContainer atomContainer, IRingSet ringSet, boolean removeAromaticityFlags)
static boolean detectAromaticity (IAtomContainer atomContainer, boolean removeAromatictyFlags, AllRingsFinder arf) throws org.openscience.cdk.exception.CDKException
static boolean detectAromaticity (IAtomContainer atomContainer, boolean removeAromatictyFlags) throws org.openscience.cdk.exception.CDKException
static boolean detectAromaticity (IAtomContainer atomContainer, IRingSet ringSet) throws org.openscience.cdk.exception.CDKException
static boolean detectAromaticity (IAtomContainer atomContainer) throws CDKException
static IRingSet getRingSet ()
static void setRingFlags (IRingSet ringset)
static void setTimeout (long timeout)

Package Attributes

AllRingsFinder ringFinder = null

Static Package Attributes

static LoggingTool logger = new LoggingTool(HueckelAromaticityDetector.class)
static IRingSet ringSet = null
static long timeout = 5000

The documentation for this class was generated from the following file:

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