BALL::Descriptor Class Reference

Generic QSAR molecular descriptor class. More...

#include <descriptor.h>

Inheritance diagram for BALL::Descriptor:

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List of all members.

Public Member Functions
Constructors and Destructors
	Descriptor ()
	Default constructor.
	Descriptor (const Descriptor &descriptor)
	Copy constructor.
	Descriptor (const String &name)
	Named constructor.
	Descriptor (const String &name, const String &unit)
	Named unit constructor.
virtual	~Descriptor ()
	Destructor.
Assignment
Descriptor &	operator= (const Descriptor &descriptor)
	Assignment operator.
Processor-related methods
Processor::Result	operator() (AtomContainer &ac)
	operator ()
Accessors
const String &	getName () const
void	setName (const String &name)
void	setUnit (const String &name)
const String &	getUnit () const
virtual double	compute (AtomContainer &ac)
Protected Member Functions
virtual void	calculate_ (AtomContainer &ac)
Predicates
virtual bool	isValid_ (AtomContainer &ac)

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Detailed Description

Generic QSAR molecular descriptor class.

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