BALL::NumberOfHydrogenBondAcceptors Class Reference

This descriptor returns the number of hydrogen bonds acceptor atoms. More...

#include <simpleDescriptors.h>

Inheritance diagram for BALL::NumberOfHydrogenBondAcceptors:

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List of all members.

Public Member Functions
Constructors and Destructors
	NumberOfHydrogenBondAcceptors ()
	Default constructor.
	NumberOfHydrogenBondAcceptors (const NumberOfHydrogenBondAcceptors &nhba)
	Copy constructor.
	NumberOfHydrogenBondAcceptors (const String &expression)
	Expression constructor.
virtual	~NumberOfHydrogenBondAcceptors ()
	Destructor.
const String &	getExpression () const
	Accessors.
void	setExpression (const String &expression)
double	compute (AtomContainer &ac)
Assignment
NumberOfHydrogenBondAcceptors &	operator= (const NumberOfHydrogenBondAcceptors &nhba)
	Assignment operator.

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Detailed Description

This descriptor returns the number of hydrogen bonds acceptor atoms.

If other set of atoms should be considered as hydrogen bond acceptors then this can be set via setExpression with an Expression string as parameter.