PartialChargeProcessor Class Reference

Generic . More...

#include <partialChargeProcessor.h>

Inheritance diagram for PartialChargeProcessor:

List of all members.

Public Member Functions
Constructors and Destructors
	PartialChargeProcessor ()
	Default constructor.
	PartialChargeProcessor (const PartialChargeProcessor &pc)
	Copy contructor.
virtual	~PartialChargeProcessor ()
	Destructor.
Assignment
PartialChargeProcessor &	operator= (const PartialChargeProcessor &pc)
	Assignment operator.
Accessors
void	calculatePEOE (AtomContainer &ac)
	Methods to calculate the PEOE charges of Gasteiger.
Processor-realted methods
virtual Processor::Result	operator() (AtomContainer &ac)
	operator ()

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Detailed Description

Generic .

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Member Function Documentation

void PartialChargeProcessor::calculatePEOE (  AtomContainer &  ac  )

Methods to calculate the PEOE charges of Gasteiger. This method can be called explicitely, not as processor.