BALL::ConnectedComponentsProcessor Class Reference
[Miscellaneous]

#include <BALL/STRUCTURE/connectedComponentsProcessor.h>

Inheritance diagram for BALL::ConnectedComponentsProcessor:

Public Types
Type definitions

typedef std::vector< Atom * >	Component
typedef std::vector< Component >	ComponentVector
Public Member Functions
	BALL_CREATE (ConnectedComponentsProcessor)
Constructors and Destructors

	ConnectedComponentsProcessor ()
	Default Constructor.
virtual	~ConnectedComponentsProcessor ()
	Destructor.
Processor-related methods

virtual bool	start ()
	Processor method which is called before the operator()-call.
void	clear ()
virtual Processor::Result	operator() (AtomContainer &ac)
virtual bool	finish ()
	Processor method which is called after the operator()-call.
Accessors.

Size	getNumberOfConnectedComponents ()
	Return the number of connected components found.
ComponentVector &	getComponents ()
	Return the vector of connected components.
const ComponentVector &	getComponents () const
	Return the vector of connected components, const variant.
Size	splitIntoMolecules (System &to_split)
Protected Attributes
ComponentVector	components_

Detailed Description

Connected Component Processor Computation of the connected components of the molecular graph.

Definition at line 20 of file connectedComponentsProcessor.h.

Member Typedef Documentation

typedef std::vector<Atom*> BALL::ConnectedComponentsProcessor::Component

Definition at line 27 of file connectedComponentsProcessor.h.

typedef std::vector<Component> BALL::ConnectedComponentsProcessor::ComponentVector

Definition at line 28 of file connectedComponentsProcessor.h.

Constructor & Destructor Documentation

BALL::ConnectedComponentsProcessor::ConnectedComponentsProcessor ( )

Default Constructor.

virtual BALL::ConnectedComponentsProcessor::~ConnectedComponentsProcessor ( ) [virtual]

Destructor.

Member Function Documentation

BALL::ConnectedComponentsProcessor::BALL_CREATE ( ConnectedComponentsProcessor )

void BALL::ConnectedComponentsProcessor::clear ( )

Clears the data structures.

virtual bool BALL::ConnectedComponentsProcessor::finish ( ) [virtual]

Processor method which is called after the operator()-call.

Reimplemented from BALL::UnaryProcessor< AtomContainer >.

const ComponentVector& BALL::ConnectedComponentsProcessor::getComponents ( ) const

Return the vector of connected components, const variant.

ComponentVector& BALL::ConnectedComponentsProcessor::getComponents ( )

Return the vector of connected components.

Size BALL::ConnectedComponentsProcessor::getNumberOfConnectedComponents ( )

Return the number of connected components found.

virtual Processor::Result BALL::ConnectedComponentsProcessor::operator() ( AtomContainer & ac ) [virtual]

Operator () for the processor

Reimplemented from BALL::UnaryProcessor< AtomContainer >.

Size BALL::ConnectedComponentsProcessor::splitIntoMolecules ( System & to_split )

Split a System into its connected components.

This function inserts one Molecule per connected component into to_split. The Atoms will be re-parented and ripped out of their previous parents. Note that this destroys any further hierarchical organization (e.g. Chains, Fragments, ...) that was previously present.

This function will apply the connected component computation itself, so it is not necessary to call apply() previously.

Parameters:

to_split

the System to split