T_Molecular_interfaces_builder< ParticleWithSystemLabelTraits, MolecularModelClassifier > Class Template Reference

Construct all the primitive and hierarchical interfaces associated to a molecular model represented by an alpha-complex. More...

#include <Molecular_interfaces_builder.hpp>

Internal Public Types
typedef CSB::T_Molecular_structure_traits< ParticleWithSystemLabelTraits, typename MolecularModelClassifier::Molecular_model >	Molecular_structure_traits
typedef CSB::T_Molecular_structure_classifier< ParticleWithSystemLabelTraits, MolecularModelClassifier >	Molecular_structure_classifier
typedef Molecular_structure_traits::Partner_labels_traits	Partner_labels_traits
typedef Molecular_structure_traits::Mediator_labels_traits	Mediator_labels_traits
typedef T_Molecular_interfaces_traits< ParticleWithSystemLabelTraits, typename MolecularModelClassifier::Molecular_model >	Molecular_interfaces_traits
typedef Molecular_interfaces_traits::Molecular_interface_connected_component_data_structure	Molecular_interface_connected_component

Public Types
typedef Partner_labels_traits::Label	Partner_label
	System's label associated to a partner. More...
typedef Mediator_labels_traits::Label	Mediator_label
	System's label associated to a mediator. More...
typedef Molecular_interfaces_traits::Bicolor_interface	Bicolor_interface
	Wrapper for a bicolor interface. It provides iterators and queries. More...
typedef Molecular_interfaces_traits::Mediated_interface	Mediated_interface
	Wrapper for a mediated interface. It provides iterators and queries. More...
typedef Molecular_interfaces_traits::Tricolor_interface	Tricolor_interface
	Wrapper for a tricolor interface. It provides iterators and queries. More...

Constructors
	T_Molecular_interfaces_builder (void)
	Default constructor, nothing is initialized. More...
	T_Molecular_interfaces_builder (Molecular_structure_classifier &classifier)
	Build the builder for the given alpha-complex. More...

Destructors
	~T_Molecular_interfaces_builder (void)
	When constructed internaly, delete the alpha-complex. More...

Accessors
const Molecular_structure_classifier &	get_structure_classifier (void) const
Bicolor_interface	get_bicolor_interface (Partner_label partner_1, Partner_label partner_2)
	Access to the bicolor interface with labels (partner_1, partner_2). More...
Mediated_interface	get_mediated_interface (Partner_label partner_1, Partner_label partner_2, Mediator_label mediator)
	Access to the mediated interface with labels (partner_1, partner_2, mediator). More...
Tricolor_interface	get_tricolor_interface (Partner_label partner_1, Partner_label partner_2, Mediator_label mediator)
	Access to the tricolor interface with labels (partner_1, partner_2, mediator). More...

Detailed Description

template<class ParticleWithSystemLabelTraits, class MolecularModelClassifier = T_Molecular_geometric_model_classifier_for_alpha_complex <CSB::T_Alpha_complex_of_molecular_model<ParticleWithSystemLabelTraits> >>
class SBL::CSB::T_Molecular_interfaces_builder< ParticleWithSystemLabelTraits, MolecularModelClassifier >

Construct all the primitive and hierarchical interfaces associated to a molecular model represented by an alpha-complex.

Initialized with the alpha-complex of a molecular model, it first classify all the contacts of the primitive interfaces using the classifier. Then, it computes the primitive interfaces. Finally, accessors are provided for getting any kind of interfaces (primitive or hierarchical).

Template Parameters

MolecularStructureTraits	Traits class defining the alpha complex and molecular interfaces.
MolecularStructureClassifier	Traits Traits class defining the alpha complex and molecular interfaces.

Member Typedef Documentation

Bicolor_interface

typedef Molecular_interfaces_traits:: Bicolor_interface Bicolor_interface

Wrapper for a bicolor interface. It provides iterators and queries.

Mediated_interface

typedef Molecular_interfaces_traits:: Mediated_interface Mediated_interface

Wrapper for a mediated interface. It provides iterators and queries.

Mediator_label

typedef Mediator_labels_traits::Label Mediator_label

System's label associated to a mediator.

Partner_label

typedef Partner_labels_traits::Label Partner_label

System's label associated to a partner.

Tricolor_interface

typedef Molecular_interfaces_traits:: Tricolor_interface Tricolor_interface

Wrapper for a tricolor interface. It provides iterators and queries.

Constructor & Destructor Documentation

T_Molecular_interfaces_builder() [1/2]

T_Molecular_interfaces_builder ( void  )

inline

Default constructor, nothing is initialized.

T_Molecular_interfaces_builder() [2/2]

T_Molecular_interfaces_builder ( Molecular_structure_classifier &  classifier )

inline

Build the builder for the given alpha-complex.

~T_Molecular_interfaces_builder()

~T_Molecular_interfaces_builder ( void  )

inline

When constructed internaly, delete the alpha-complex.

Note that in this case, the interfaces data structures are invalidated

Member Function Documentation

get_bicolor_interface()

T_Molecular_interfaces_builder< ParticleWithSystemLabelTraits, MolecularModelClassifier >::Bicolor_interface get_bicolor_interface ( Partner_label  partner_1, Partner_label  partner_2  )

inline

Access to the bicolor interface with labels (partner_1, partner_2).

The cost of accessing this interface is the cost of constructing its connected components.

get_mediated_interface()

T_Molecular_interfaces_builder< ParticleWithSystemLabelTraits, MolecularModelClassifier >::Mediated_interface get_mediated_interface ( Partner_label  partner_1, Partner_label  partner_2, Mediator_label  mediator  )

inline

Access to the mediated interface with labels (partner_1, partner_2, mediator).

The cost of accessing this interface is the cost of constructing its connected components.

get_tricolor_interface()

T_Molecular_interfaces_builder< ParticleWithSystemLabelTraits, MolecularModelClassifier >::Tricolor_interface get_tricolor_interface ( Partner_label  partner_1, Partner_label  partner_2, Mediator_label  mediator  )

inline

Access to the tricolor interface with labels (partner_1, partner_2, mediator).

The cost of accessing this interface is the cost of constructing its connected components.