BALL::VIEW::AddVanDerWaalsModel Class Reference

#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.
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.
const GeometricObjectList &	getGeometricObjects () const
	Return the list with the created geometric objects.
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.
BALL_INLINE	PropertyManager (const PropertyManager &property_manager)
	Copy constructor.
virtual	~PropertyManager ()
	Destructor.
virtual void	destroy ()
	Clears all properties.
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 string &name)
void	setProperty (const string &name, bool value)
void	setProperty (const string &name, int value)
void	setProperty (const string &name, unsigned int value)
void	setProperty (const string &name, float value)
void	setProperty (const string &name, double value)
void	setProperty (const string &name, const string &value)
void	setProperty (const string &name, const PersistentObject &value)
const NamedProperty &	getProperty (const string &name) const
NamedPropertyIterator	beginNamedProperty ()
NamedPropertyIterator	endNamedProperty ()
void	clearProperty (const string &name)
Size	countNamedProperties () const
bool	hasProperty (Property property) const
	Query for an unnamed property.
bool	hasProperty (const string &name) const
	Query for a named property.
bool	operator== (const PropertyManager &pm) const
bool	operator!= (const PropertyManager &pm) const
	Inequality operator.
void	write (PersistenceManager &pm) const
	Persistent stream writing.
bool	read (PersistenceManager &pm)
	Persistent stream reading.

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

BALL::VIEW::AddVanDerWaalsModel::AddVanDerWaalsModel

(

)

Default Constructor.

BALL::VIEW::AddVanDerWaalsModel::AddVanDerWaalsModel

(

const AddVanDerWaalsModel &

add_van_der_waals_model

)

Copy constructor.

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

virtual

Destructor.

Member Function Documentation

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.

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

inline

Definition at line 85 of file vanDerWaalsModel.h.

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.

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

inline

Default = 1.

Definition at line 81 of file vanDerWaalsModel.h.

Member Data Documentation

float BALL::VIEW::AddVanDerWaalsModel::radius_factor_

protected

Definition at line 91 of file vanDerWaalsModel.h.