BALL  1.5.0
List of all members
BALL::PolarVdWSurface Class Reference

#include <BALL/QSAR/surfaceDescriptors.h>

Inheritance diagram for BALL::PolarVdWSurface:
BALL::SurfaceBase BALL::Descriptor BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< ArgumentType, ResultType >

Public Member Functions

Constructors and Destructors
 PolarVdWSurface ()
 
 PolarVdWSurface (const PolarVdWSurface &ps)
 
virtual ~PolarVdWSurface ()
 
Assignment
PolarVdWSurfaceoperator= (const PolarVdWSurface &ps)
 
- Public Member Functions inherited from BALL::SurfaceBase
 SurfaceBase ()
 
 SurfaceBase (const SurfaceBase &sb)
 
 SurfaceBase (const String &name)
 
 SurfaceBase (const String &name, const String &unit)
 
virtual ~SurfaceBase ()
 
SurfaceBaseoperator= (const SurfaceBase &sb)
 
void computeAllDescriptors (AtomContainer &ac)
 
- Public Member Functions inherited from BALL::Descriptor
 Descriptor ()
 
 Descriptor (const Descriptor &descriptor)
 
 Descriptor (const String &name)
 
 Descriptor (const String &name, const String &unit)
 
virtual ~Descriptor ()
 
Descriptoroperator= (const Descriptor &descriptor)
 
Processor::Result operator() (AtomContainer &ac)
 
const StringgetName () const
 
void setName (const String &name)
 
void setUnit (const String &name)
 
const StringgetUnit () const
 
virtual double compute (AtomContainer &ac)
 
- Public Member Functions inherited from BALL::UnaryProcessor< AtomContainer >
 UnaryProcessor ()
 
 UnaryProcessor (const UnaryProcessor &)
 
virtual ~UnaryProcessor ()
 
virtual bool start ()
 
virtual bool finish ()
 

Additional Inherited Members

- Public Types inherited from BALL::UnaryFunctor< ArgumentType, ResultType >
typedef ResultType result_type
 
typedef ArgumentType argument_type
 
typedef ArgumentType & argument_reference
 
typedef const ArgumentType & const_argument_reference
 
typedef ArgumentType * argument_pointer
 
typedef const ArgumentType * const_argument_pointer
 
- Protected Member Functions inherited from BALL::SurfaceBase
bool isValid_ (AtomContainer &ac)
 
void calculate_ (AtomContainer &ac)
 
- Protected Member Functions inherited from BALL::Descriptor

Detailed Description

This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, of the polar atoms.

Definition at line 203 of file surfaceDescriptors.h.

Constructor & Destructor Documentation

◆ PolarVdWSurface() [1/2]

BALL::PolarVdWSurface::PolarVdWSurface ( )

Default Constructor

◆ PolarVdWSurface() [2/2]

BALL::PolarVdWSurface::PolarVdWSurface ( const PolarVdWSurface ps)

Copy constructor

◆ ~PolarVdWSurface()

virtual BALL::PolarVdWSurface::~PolarVdWSurface ( )
virtual

Destructor

Member Function Documentation

◆ operator=()

PolarVdWSurface& BALL::PolarVdWSurface::operator= ( const PolarVdWSurface ps)

Assignment operator