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RelNumberOfRotatableBonds Class Reference

This descriptor returns the fraction of rotatble bonds. More...

#include <simpleDescriptors.h>

Inheritance diagram for RelNumberOfRotatableBonds:

SimpleBase Descriptor UnaryProcessor< AtomContainer > UnaryFunctor< AtomContainer, Processor::Result > List of all members.

Public Member Functions

Constructors and Destructors
 RelNumberOfRotatableBonds ()
 Default constructor.
 RelNumberOfRotatableBonds (const RelNumberOfRotatableBonds &rnrb)
 Copy constructor.
virtual ~RelNumberOfRotatableBonds ()
 Destructor.
Assignment
RelNumberOfRotatableBonds & operator= (const RelNumberOfRotatableBonds &rnrb)
 Assignment operator.
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