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BondPolarizabilities Class Reference

This descriptor is calculated by adding up the differences in atomic polarizabilities of the both participating atoms through all bonds. More...

#include <simpleDescriptors.h>

Inheritance diagram for BondPolarizabilities:

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

Public Member Functions

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

Detailed Description

This descriptor is calculated by adding up the differences in atomic polarizabilities of the both participating atoms through all bonds.