BALL  1.4.1
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Defines
BALL::NumberOfRotatableBonds Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

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

List of all members.

Public Member Functions

Constructors and Destructors
 NumberOfRotatableBonds ()
 NumberOfRotatableBonds (const NumberOfRotatableBonds &nrb)
virtual ~NumberOfRotatableBonds ()
Assignment
NumberOfRotatableBondsoperator= (const NumberOfRotatableBonds &nrb)

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.

Definition at line 932 of file simpleDescriptors.h.


Constructor & Destructor Documentation

Default constructor

Copy constructor

Destructors


Member Function Documentation

NumberOfRotatableBonds& BALL::NumberOfRotatableBonds::operator= ( const NumberOfRotatableBonds nrb)

Assignment operator

 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Defines