Package qsardes.descriptor.qsarwb

Class QsarWBAtomCount

java.lang.Object

qsardes.descriptor.DescriptorAtomCount

qsardes.descriptor.qsarwb.QsarWBAtomCount

All Implemented Interfaces:

Descriptor

public final class QsarWBAtomCount
extends DescriptorAtomCount

Atom count descriptors (QSAR-WB Descriptors).

Calculates atom count descriptors using the CDK AtomCountDescriptor class. In addition counts the number of halogens and heavy atoms.

Returns n# where # is the atomic symbols. Also returns nX (halogens) and nHeavyAtom.

Constructor Summary

Constructors

Constructor	Description
QsarWBAtomCount()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorAtomCount

get_descriptor_names, get_descriptor_type, get_descriptor_values, toString

Methods inherited from class java.lang.Object

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

Constructor Details

QsarWBAtomCount

public QsarWBAtomCount()