PartialChargeBase Class Reference

Generic QSAR molecular partial charge descriptor class \. More...

#include <partialChargeBase.h>

Inheritance diagram for PartialChargeBase:

List of all members.

Public Member Functions
Constructors and Destructors
	PartialChargeBase ()
	Default constructor.
	PartialChargeBase (const PartialChargeBase &pcb)
	Copy constructor.
	PartialChargeBase (const String &name)
	Named constructor.
	PartialChargeBase (const String &name, const String &unit)
	Named unity constructor.
virtual	~PartialChargeBase ()
	Destructor.
Assignment
virtual PartialChargeBase &	operator= (const PartialChargeBase &pcb)
	Assignment Operator.
Protected Member Functions
Predicates
bool	isValid_ (AtomContainer &ac)
Accessors
void	calculate_ (AtomContainer &ac)

---

Detailed Description

Generic QSAR molecular partial charge descriptor class \.