BALL::SimpleBase Class Reference

QSAR molecular simple descriptors base class, this class implements some methods to calculate simple descriptors. More...

#include <simpleBase.h>

Inheritance diagram for BALL::SimpleBase:

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List of all members.

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

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Detailed Description

QSAR molecular simple descriptors base class, this class implements some methods to calculate simple descriptors.

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