BALL::NumberOfHydrophobicAtoms Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

Inheritance diagram for BALL::NumberOfHydrophobicAtoms:

[legend]

List of all members.

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

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Detailed Description

This descriptor return the number of hydrophobic atoms. If another set of hydrophobic atoms should be considered, another expression can be set via setExpression, with an Expression string as parameter.

Definition at line 1226 of file simpleDescriptors.h.

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Constructor & Destructor Documentation

BALL::NumberOfHydrophobicAtoms::NumberOfHydrophobicAtoms

(

)

Default constructur

BALL::NumberOfHydrophobicAtoms::NumberOfHydrophobicAtoms

(

const NumberOfHydrophobicAtoms &

nha

)

Copy constructor

BALL::NumberOfHydrophobicAtoms::NumberOfHydrophobicAtoms

(

const String &

expression

)

Expression constructor

virtual BALL::NumberOfHydrophobicAtoms::~NumberOfHydrophobicAtoms

(

)

[virtual]

Destructor

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Member Function Documentation

double BALL::NumberOfHydrophobicAtoms::compute

(

AtomContainer &

ac

)

[virtual]

Reimplemented from BALL::Descriptor.

const String& BALL::NumberOfHydrophobicAtoms::getExpression

(

)

const

NumberOfHydrophobicAtoms& BALL::NumberOfHydrophobicAtoms::operator=

(

const NumberOfHydrophobicAtoms &

nha

)

Assignment operator

void BALL::NumberOfHydrophobicAtoms::setExpression

(

const String &

expression

)

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Member Data Documentation

String BALL::NumberOfHydrophobicAtoms::expression_ [private]

Definition at line 1283 of file simpleDescriptors.h.