#include <BALL/VIEW/MODELS/vanDerWaalsModel.h>

Inheritance diagram for BALL::VIEW::AddVanDerWaalsModel:

Public Member Functions
Constructors and Destructor
	AddVanDerWaalsModel ()

	AddVanDerWaalsModel (const AddVanDerWaalsModel &add_van_der_waals_model)

virtual	~AddVanDerWaalsModel ()

Processor specific methods
virtual Processor::Result	operator() (Composite &composite)

debuggers and diagnostics
virtual void	dump (std::ostream &s=std::cout, Size depth=0) const

void	setVDWRadiusFactor (float value)
	Default = 1. More...

float	getVDWRadiusFactor () const

Public Member Functions inherited from BALL::VIEW::AtomBondModelBaseProcessor
	AtomBondModelBaseProcessor ()

	AtomBondModelBaseProcessor (const AtomBondModelBaseProcessor &baseProcessor)

virtual	~AtomBondModelBaseProcessor ()

virtual void	clear ()

void	set (const AtomBondModelBaseProcessor &processor)

const AtomBondModelBaseProcessor &	operator= (const AtomBondModelBaseProcessor &processor)

virtual void	clearComposites ()

virtual bool	createGeometricObjects ()

Public Member Functions inherited from BALL::VIEW::ModelProcessor
	ModelProcessor ()

	ModelProcessor (const ModelProcessor &model_processor)

virtual	~ModelProcessor ()

virtual bool	isValid () const

GeometricObjectList &	getGeometricObjects ()
	Return the list with the created geometric objects. More...

const GeometricObjectList &	getGeometricObjects () const
	Return the list with the created geometric objects. More...

void	setDrawingPrecision (Index precision)

Index	getDrawingPrecision () const

void	setSurfaceDrawingPrecision (float precision)

float	getSurfaceDrawingPrecision () const

Public Member Functions inherited from BALL::UnaryProcessor< Composite >
	UnaryProcessor ()

	UnaryProcessor (const UnaryProcessor &)

virtual	~UnaryProcessor ()

virtual bool	start ()

virtual bool	finish ()

Public Member Functions inherited from BALL::PropertyManager
BALL_INLINE	PropertyManager ()
	Default constructor. More...

BALL_INLINE	PropertyManager (const PropertyManager &property_manager)
	Copy constructor. More...

virtual	~PropertyManager ()
	Destructor. More...

virtual void	destroy ()
	Clears all properties. More...

void	set (const PropertyManager &property_manager)

const PropertyManager &	operator= (const PropertyManager &property_manager)

void	get (PropertyManager &property_manager) const

void	swap (PropertyManager &property_manager)

BitVector &	getBitVector ()

const BitVector &	getBitVector () const

	operator BitVector & ()

void	setProperty (Property property)

void	clearProperty (Property property)

void	toggleProperty (Property property)

Size	countProperties () const

const NamedProperty &	getNamedProperty (Position index) const

NamedProperty &	getNamedProperty (Position index)

void	setProperty (const NamedProperty &property)

void	setProperty (const std::string &name)

void	setProperty (const std::string &name, bool value)

void	setProperty (const std::string &name, int value)

void	setProperty (const std::string &name, unsigned int value)

void	setProperty (const std::string &name, float value)

void	setProperty (const std::string &name, double value)

void	setProperty (const std::string &name, const std::string &value)

void	setProperty (const std::string &name, const PersistentObject &value)

const NamedProperty &	getProperty (const std::string &name) const

NamedPropertyIterator	beginNamedProperty ()

NamedPropertyIterator	endNamedProperty ()

void	clearProperty (const std::string &name)

Size	countNamedProperties () const

bool	hasProperty (Property property) const
	Query for an unnamed property. More...

bool	hasProperty (const std::string &name) const
	Query for a named property. More...

bool	operator== (const PropertyManager &pm) const

bool	operator!= (const PropertyManager &pm) const
	Inequality operator. More...

void	write (PersistenceManager &pm) const
	Persistent stream writing. More...

bool	read (PersistenceManager &pm)
	Persistent stream reading. More...

bool	isValid () const

void	dump (std::ostream &s=std::cout, Size depth=0) const

Protected Attributes
float	radius_factor_

Protected Attributes inherited from BALL::VIEW::AtomBondModelBaseProcessor
vector< vector< Atom * > >	rings_

HashSet< const Atom * >	ring_atoms_

Protected Attributes inherited from BALL::VIEW::ModelProcessor
GeometricObjectList	geometric_objects_

Index	drawing_precision_

float	surface_drawing_precision_

Additional Inherited Members
Public Types inherited from BALL::UnaryFunctor< Composite, Processor::Result >
typedef Processor::Result	result_type

typedef Composite	argument_type

typedef Composite &	argument_reference

typedef const Composite &	const_argument_reference

typedef Composite *	argument_pointer

typedef const Composite *	const_argument_pointer

Protected Member Functions inherited from BALL::VIEW::AtomBondModelBaseProcessor
virtual void	visualiseBond_ (const Bond &bond)

virtual void	visualiseRings_ ()

void	insertAtom_ (const Atom *atom)

void	clearUsedAtoms_ ()

std::list< const Atom * > &	getAtomList_ ()

HashSet< const Atom * > &	getAtomSet_ ()

void	buildBondModels_ ()

Detailed Description

AddVanDerWaalsModel class. AddVanDerWaalsModel is a model processor that is responsible for creating a Van der Waals model. For information about the processor concept see Processor.

Definition at line 24 of file vanDerWaalsModel.h.

Constructor & Destructor Documentation

◆ AddVanDerWaalsModel() [1/2]

BALL::VIEW::AddVanDerWaalsModel::AddVanDerWaalsModel ( )

Default Constructor.

◆ AddVanDerWaalsModel() [2/2]

BALL::VIEW::AddVanDerWaalsModel::AddVanDerWaalsModel ( const AddVanDerWaalsModel & add_van_der_waals_model )

Copy constructor.

◆ ~AddVanDerWaalsModel()

virtual BALL::VIEW::AddVanDerWaalsModel::~AddVanDerWaalsModel ( )

virtual

Destructor.

Member Function Documentation

◆ dump()

virtual void BALL::VIEW::AddVanDerWaalsModel::dump	(	std::ostream &	s = `std::cout`,
		Size	depth = `0`
	)		const

virtual

Internal value dump. Dump the current state to the output ostream with a given dumping depth. Calls AtomBondModelBaseProcessor::dump.

Parameters

s	output stream where to output the state
depth	the dumping depth

Reimplemented from BALL::VIEW::AtomBondModelBaseProcessor.

◆ getVDWRadiusFactor()

float BALL::VIEW::AddVanDerWaalsModel::getVDWRadiusFactor ( ) const

inline

Definition at line 85 of file vanDerWaalsModel.h.

◆ operator()()

virtual Processor::Result BALL::VIEW::AddVanDerWaalsModel::operator() ( Composite & composite )

virtual

Operator method. This method iterates over each Composite object reachable in the Composite tree. If the Composite is of kind Atom, than a Sphere with radius getVanDerWaalsRadius() is created for that atom, and the atom is appended with the method insertAtom_(). The color for that Sphere object is calculated with the ColorCalculator object retrieved with the method getColorCalculator(). All atoms inserted with the method insertAtom_() will later be used for creating the model of the reachable Bond objects. Those models will be created with the method buildBondModels_().

Parameters

composite the Composite object that will be processed

Returns: Processor::Result the result

Exceptions

OutOfMemory thrown if the memory allocation for a Sphere failed

Reimplemented from BALL::VIEW::AtomBondModelBaseProcessor.

◆ setVDWRadiusFactor()

void BALL::VIEW::AddVanDerWaalsModel::setVDWRadiusFactor ( float value )

inline

Default = 1.

Definition at line 81 of file vanDerWaalsModel.h.

Member Data Documentation

◆ radius_factor_

float BALL::VIEW::AddVanDerWaalsModel::radius_factor_

protected

Definition at line 91 of file vanDerWaalsModel.h.

Public Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ AddVanDerWaalsModel() [1/2]

◆ AddVanDerWaalsModel() [2/2]

◆ ~AddVanDerWaalsModel()

Member Function Documentation

◆ dump()

◆ getVDWRadiusFactor()

◆ operator()()

◆ setVDWRadiusFactor()

Member Data Documentation

◆ radius_factor_