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

#include <BALL/QSAR/surfaceDescriptors.h>

Inheritance diagram for BALL::HydrophobicVdWSurface:
BALL::SurfaceBase BALL::Descriptor BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< AtomContainer, Processor::Result >

Public Member Functions

Constructors and Destructors
 HydrophobicVdWSurface ()
 
 HydrophobicVdWSurface (const HydrophobicVdWSurface &hs)
 
virtual ~HydrophobicVdWSurface ()
 
Assignment
HydrophobicVdWSurface & operator= (const HydrophobicVdWSurface &hs)
 
- 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 ()
 
SurfaceBase & operator= (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 ()
 
Descriptor & operator= (const Descriptor &descriptor)
 
Processor::Result operator() (AtomContainer &ac)
 
const String & getName () const
 
void setName (const String &name)
 
void setUnit (const String &name)
 
const String & getUnit () 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< AtomContainer, Processor::Result >
typedef Processor::Result result_type
 
typedef AtomContainer argument_type
 
typedef AtomContainer & argument_reference
 
typedef const AtomContainer & const_argument_reference
 
typedef AtomContainer * argument_pointer
 
typedef const AtomContainer * 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 hydrophobic atoms.

Definition at line 167 of file surfaceDescriptors.h.

Constructor & Destructor Documentation

◆ HydrophobicVdWSurface() [1/2]

BALL::HydrophobicVdWSurface::HydrophobicVdWSurface ( )

Default constructor

◆ HydrophobicVdWSurface() [2/2]

BALL::HydrophobicVdWSurface::HydrophobicVdWSurface ( const HydrophobicVdWSurface &  hs)

Copy constructor

◆ ~HydrophobicVdWSurface()

virtual BALL::HydrophobicVdWSurface::~HydrophobicVdWSurface ( )
virtual

Destructor

Member Function Documentation

◆ operator=()

HydrophobicVdWSurface & BALL::HydrophobicVdWSurface::operator= ( const HydrophobicVdWSurface &  hs)

Assignment operator