BALL  1.4.1
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Macros Groups Pages
List of all members
BALL::VertexAdjacency Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

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

Public Member Functions

Constructors and Destructors
 VertexAdjacency ()
 VertexAdjacency (const VertexAdjacency &va)
virtual ~VertexAdjacency ()
Assignment
VertexAdjacencyoperator= (const VertexAdjacency &va)
Accessors
double compute (AtomContainer &ac)
- Public Member Functions inherited from BALL::SimpleBase
 SimpleBase ()
 SimpleBase (const SimpleBase &sb)
 SimpleBase (const String &name)
 SimpleBase (const String &name, const String &unit)
virtual ~SimpleBase ()
virtual SimpleBaseoperator= (const SimpleBase &sb)
void computeAllDescriptors (AtomContainer &ac)
void setDataFolder (const char *folder)
- 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
- 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 AtomContainerargument_reference
typedef const AtomContainerconst_argument_reference
typedef AtomContainerargument_pointer
typedef const AtomContainerconst_argument_pointer
- Protected Member Functions inherited from BALL::SimpleBase
void calculate_ (AtomContainer &ac)
bool isValid_ (AtomContainer &ac)
Predicates

Detailed Description

The vertex adjacency is calculated using the formula ( 1 + m ), where $m$ is the number of heavy bonds.

Definition at line 1009 of file simpleDescriptors.h.

Constructor & Destructor Documentation

BALL::VertexAdjacency::VertexAdjacency ( )

Default constructor

BALL::VertexAdjacency::VertexAdjacency ( const VertexAdjacency va)

Copy constructor

virtual BALL::VertexAdjacency::~VertexAdjacency ( )
virtual

Destructor

Member Function Documentation

double BALL::VertexAdjacency::compute ( AtomContainer ac)
virtual

Reimplemented from BALL::Descriptor.

VertexAdjacency& BALL::VertexAdjacency::operator= ( const VertexAdjacency va)

Assignment operator