BALL  1.4.1
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BALL::RelNumberOfRotatableBonds Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

Inheritance diagram for BALL::RelNumberOfRotatableBonds:
BALL::SimpleBase BALL::Descriptor BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< AtomContainer, Processor::Result >

List of all members.

Public Member Functions

Constructors and Destructors
 RelNumberOfRotatableBonds ()
 RelNumberOfRotatableBonds (const RelNumberOfRotatableBonds &rnrb)
virtual ~RelNumberOfRotatableBonds ()
Assignment
RelNumberOfRotatableBondsoperator= (const RelNumberOfRotatableBonds &rnrb)
Accessors
double compute (AtomContainer &ac)

Detailed Description

This descriptor returns the fraction of rotatble bonds. It is calculated by deviding the number of rotatable bonds by the number of bonds

Definition at line 967 of file simpleDescriptors.h.


Constructor & Destructor Documentation

Default constructor

Copy constructor

Destructor


Member Function Documentation

Reimplemented from BALL::Descriptor.

RelNumberOfRotatableBonds& BALL::RelNumberOfRotatableBonds::operator= ( const RelNumberOfRotatableBonds rnrb)

Assignment operator

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