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

#include <BALL/QSAR/connectivityBase.h>

Inheritance diagram for BALL::ConnectivityBase:
BALL::Descriptor BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< AtomContainer, Processor::Result > BALL::BalabanIndexJ BALL::ZagrebIndex

Public Member Functions

Constructors and Destructors
 ConnectivityBase ()
 
 ConnectivityBase (const ConnectivityBase &cb)
 
 ConnectivityBase (const String &name)
 
 ConnectivityBase (const String &name, const String &unit)
 
virtual ~ConnectivityBase ()
 
Assignment
virtual ConnectivityBaseoperator= (const ConnectivityBase &cb)
 
- 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 ()
 

Protected Member Functions

Predicates
bool isValid_ (AtomContainer &ac)
 
- Protected Member Functions inherited from BALL::Descriptor

Accessors

void computeAllDescriptors (AtomContainer &ac)
 
void calculate_ (AtomContainer &ac)
 

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 AtomContainerargument_pointer
 
- Public Attributes inherited from BALL::UnaryFunctor< AtomContainer, Processor::Result >
const typedef AtomContainerconst_argument_reference
 
const typedef AtomContainerconst_argument_pointer
 

Detailed Description

Generic QSAR molecular connectivity descriptors class \

Definition at line 25 of file connectivityBase.h.

Constructor & Destructor Documentation

◆ ConnectivityBase() [1/4]

BALL::ConnectivityBase::ConnectivityBase ( )

Default constructor

◆ ConnectivityBase() [2/4]

BALL::ConnectivityBase::ConnectivityBase ( const ConnectivityBase cb)

Copy constructor

◆ ConnectivityBase() [3/4]

BALL::ConnectivityBase::ConnectivityBase ( const String name)

Named constructor

◆ ConnectivityBase() [4/4]

BALL::ConnectivityBase::ConnectivityBase ( const String name,
const String unit 
)

Named unity constructor

◆ ~ConnectivityBase()

virtual BALL::ConnectivityBase::~ConnectivityBase ( )
virtual

Destructor

Member Function Documentation

◆ calculate_()

void BALL::ConnectivityBase::calculate_ ( AtomContainer ac)
protectedvirtual

Reimplemented from BALL::Descriptor.

◆ computeAllDescriptors()

void BALL::ConnectivityBase::computeAllDescriptors ( AtomContainer ac)

◆ isValid_()

bool BALL::ConnectivityBase::isValid_ ( AtomContainer ac)
protectedvirtual

Reimplemented from BALL::Descriptor.

◆ operator=()

virtual ConnectivityBase& BALL::ConnectivityBase::operator= ( const ConnectivityBase cb)
virtual

Assignment operator