BALL::NumberOfHydrogenBondDonors Class Reference

This descriptor returns the number of the hydrogen bond donors of the molecule. More...

#include <simpleDescriptors.h>

Inheritance diagram for BALL::NumberOfHydrogenBondDonors:

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List of all members.

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

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Detailed Description

This descriptor returns the number of the hydrogen bond donors of the molecule.

If another set of atoms want to be used, it can be set via {setExpression}, with an Expression string as parameter.