ambit2.descriptors

Class AbstractKekulizationVerifier

java.lang.Object

ambit2.descriptors.AbstractKekulizationVerifier

All Implemented Interfaces:

org.openscience.cdk.qsar.IDescriptor, org.openscience.cdk.qsar.IMolecularDescriptor

Direct Known Subclasses:

SaturationCheckerVerifier

public abstract class AbstractKekulizationVerifier
extends Object
implements org.openscience.cdk.qsar.IMolecularDescriptor

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
protected static class	AbstractKekulizationVerifier.names_index

Field Summary

Fields

Modifier and Type	Field and Description
protected static String[]	names
protected static String	OK
protected static String	version

Constructor Summary

Constructors

Constructor and Description
AbstractKekulizationVerifier()

Method Summary

Modifier and Type	Method and Description
org.openscience.cdk.qsar.DescriptorValue	calculate(org.openscience.cdk.interfaces.IAtomContainer mol)
String[]	getDescriptorNames()
org.openscience.cdk.qsar.result.IDescriptorResult	getDescriptorResultType()
String[]	getParameterNames()
Object[]	getParameters()
Object	getParameterType(String arg0)
org.openscience.cdk.qsar.DescriptorSpecification	getSpecification()
abstract String	getTyperClass()
void	initialise(org.openscience.cdk.interfaces.IChemObjectBuilder arg0)
void	setParameters(Object[] arg0)
protected abstract org.openscience.cdk.interfaces.IAtomContainer	transform2Kekule(org.openscience.cdk.interfaces.IAtomContainer mol)

Methods inherited from class java.lang.Object

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

Field Detail

version

protected static final String version

See Also:

Constant Field Values

OK

protected static final String OK

See Also:

Constant Field Values

names

protected static String[] names

Constructor Detail

AbstractKekulizationVerifier

public AbstractKekulizationVerifier()

Method Detail

transform2Kekule

protected abstract org.openscience.cdk.interfaces.IAtomContainer transform2Kekule(org.openscience.cdk.interfaces.IAtomContainer mol)
                                                                           throws org.openscience.cdk.exception.CDKException

Throws:

org.openscience.cdk.exception.CDKException

calculate

public org.openscience.cdk.qsar.DescriptorValue calculate(org.openscience.cdk.interfaces.IAtomContainer mol)

Specified by:

calculate in interface org.openscience.cdk.qsar.IMolecularDescriptor

getDescriptorResultType

public org.openscience.cdk.qsar.result.IDescriptorResult getDescriptorResultType()

Specified by:

getDescriptorResultType in interface org.openscience.cdk.qsar.IMolecularDescriptor

getDescriptorNames

public String[] getDescriptorNames()

Specified by:

getDescriptorNames in interface org.openscience.cdk.qsar.IDescriptor

getParameterNames

public String[] getParameterNames()

Specified by:

getParameterNames in interface org.openscience.cdk.qsar.IDescriptor

getParameterType

public Object getParameterType(String arg0)

Specified by:

getParameterType in interface org.openscience.cdk.qsar.IDescriptor

getParameters

public Object[] getParameters()

Specified by:

getParameters in interface org.openscience.cdk.qsar.IDescriptor

getSpecification

public org.openscience.cdk.qsar.DescriptorSpecification getSpecification()

Specified by:

getSpecification in interface org.openscience.cdk.qsar.IDescriptor

setParameters

public void setParameters(Object[] arg0)
                   throws org.openscience.cdk.exception.CDKException

Specified by:

setParameters in interface org.openscience.cdk.qsar.IDescriptor

Throws:

org.openscience.cdk.exception.CDKException

getTyperClass

public abstract String getTyperClass()

initialise

public void initialise(org.openscience.cdk.interfaces.IChemObjectBuilder arg0)

Specified by:

initialise in interface org.openscience.cdk.qsar.IDescriptor