BALL  1.4.1
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Private Attributes
BALL::NumberOfHydrogenBondAcceptors Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

Inheritance diagram for BALL::NumberOfHydrogenBondAcceptors:
BALL::SimpleBase BALL::Descriptor BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< AtomContainer, Processor::Result >

List of all members.

Public Member Functions

Constructors and Destructors
 NumberOfHydrogenBondAcceptors ()
 NumberOfHydrogenBondAcceptors (const NumberOfHydrogenBondAcceptors &nhba)
 NumberOfHydrogenBondAcceptors (const String &expression)
virtual ~NumberOfHydrogenBondAcceptors ()
const StringgetExpression () const
void setExpression (const String &expression)
double compute (AtomContainer &ac)
Assignment
NumberOfHydrogenBondAcceptorsoperator= (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.


Constructor & Destructor Documentation

Default constructor

Copy constructor

Expression constructor

Destructor


Member Function Documentation

Reimplemented from BALL::Descriptor.

Accessors

NumberOfHydrogenBondAcceptors& BALL::NumberOfHydrogenBondAcceptors::operator= ( const NumberOfHydrogenBondAcceptors nhba)

Assignment operator


Member Data Documentation

Definition at line 1155 of file simpleDescriptors.h.

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