BALL::NumberOfHydrogenBondAcceptors Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

Inheritance diagram for BALL::NumberOfHydrogenBondAcceptors:

[legend]

List of all members.

Public Member Functions
Constructors and Destructors
	NumberOfHydrogenBondAcceptors ()
	NumberOfHydrogenBondAcceptors (const NumberOfHydrogenBondAcceptors &nhba)
	NumberOfHydrogenBondAcceptors (const String &expression)
virtual	~NumberOfHydrogenBondAcceptors ()
const String &	getExpression () const
void	setExpression (const String &expression)
double	compute (AtomContainer &ac)
Assignment
NumberOfHydrogenBondAcceptors &	operator= (const NumberOfHydrogenBondAcceptors &nhba)
Private Attributes
String	expression_

---

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.

Definition at line 1097 of file simpleDescriptors.h.

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Constructor & Destructor Documentation

BALL::NumberOfHydrogenBondAcceptors::NumberOfHydrogenBondAcceptors

(

)

Default constructor

BALL::NumberOfHydrogenBondAcceptors::NumberOfHydrogenBondAcceptors

(

const NumberOfHydrogenBondAcceptors &

nhba

)

Copy constructor

BALL::NumberOfHydrogenBondAcceptors::NumberOfHydrogenBondAcceptors

(

const String &

expression

)

Expression constructor

virtual BALL::NumberOfHydrogenBondAcceptors::~NumberOfHydrogenBondAcceptors

(

)

[virtual]

Destructor

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Member Function Documentation

double BALL::NumberOfHydrogenBondAcceptors::compute

(

AtomContainer &

ac

)

[virtual]

Reimplemented from BALL::Descriptor.

const String& BALL::NumberOfHydrogenBondAcceptors::getExpression

(

)

const

Accessors

NumberOfHydrogenBondAcceptors& BALL::NumberOfHydrogenBondAcceptors::operator=

(

const NumberOfHydrogenBondAcceptors &

nhba

)

Assignment operator

void BALL::NumberOfHydrogenBondAcceptors::setExpression

(

const String &

expression

)

---

Member Data Documentation

String BALL::NumberOfHydrogenBondAcceptors::expression_ [private]

Definition at line 1155 of file simpleDescriptors.h.