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RelPositivePartialCharge Class Reference

This descriptor returns the fraction of positive partial charges, which is calculated by deviding the biggest partial charges value by the sum of positive partial charges. More...

#include <partialChargeDescriptors.h>

Inheritance diagram for RelPositivePartialCharge:

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

Public Member Functions

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

Detailed Description

This descriptor returns the fraction of positive partial charges, which is calculated by deviding the biggest partial charges value by the sum of positive partial charges.