Main Page | Modules | Namespace List | Class Hierarchy | Class List | Namespace Members | Class Members

NumberOfRotatableBonds Class Reference

This descriptor counts the number of rotatable bonds, a bond ia rotatble if it is heavy, not in a ring and not bounds lone atoms like halogens. More...

#include <simpleDescriptors.h>

Inheritance diagram for NumberOfRotatableBonds:

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

Public Member Functions

Constructors and Destructors
 NumberOfRotatableBonds ()
 Default constructor.
 NumberOfRotatableBonds (const NumberOfRotatableBonds &nrb)
 Copy constructor.
virtual ~NumberOfRotatableBonds ()
 Destructors.
Assignment
NumberOfRotatableBonds & operator= (const NumberOfRotatableBonds &nrb)
 Assignment operator.

Detailed Description

This descriptor counts the number of rotatable bonds, a bond ia rotatble if it is heavy, not in a ring and not bounds lone atoms like halogens.