BALL  1.4.1
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Private Attributes
BALL::NumberOfHydrogenBondDonors Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

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

List of all members.

Public Member Functions

Constructors and Destructors
 NumberOfHydrogenBondDonors ()
 NumberOfHydrogenBondDonors (const NumberOfHydrogenBondDonors &nhbd)
 NumberOfHydrogenBondDonors (const String &expression)
virtual ~NumberOfHydrogenBondDonors ()
Accessors
void setExpression (const String &expression)
const StringgetExpression () const
double compute (AtomContainer &ac)
Assignment
NumberOfHydrogenBondDonorsoperator= (const NumberOfHydrogenBondDonors &nhbd)

Private Attributes

String expression_

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.

Definition at line 1162 of file simpleDescriptors.h.


Constructor & Destructor Documentation

Default constructor

Copy constructor

Expression constructor

Destructor


Member Function Documentation

Reimplemented from BALL::Descriptor.

NumberOfHydrogenBondDonors& BALL::NumberOfHydrogenBondDonors::operator= ( const NumberOfHydrogenBondDonors nhbd)

Assignment operator


Member Data Documentation

Definition at line 1219 of file simpleDescriptors.h.

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