A data structure allowing a hierarchical view on biological macromolecules. More...

#include <HierarchyView.hpp>

Public Types
typedef std::shared_ptr< HierarchyView >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated `HierarchyView` instances. More...

typedef boost::indirect_iterator< ModelList::const_iterator, const HierarchyViewModel >	ConstModelIterator

Public Member Functions
	HierarchyView ()
	Constructs an empty `HierarchyView` instance. More...

	HierarchyView (const Chem::MolecularGraph &molgraph)
	Constructs a `HierarchyView` instance for the molecular graph molgraph. More...

const ResidueList &	getResidues () const

std::size_t	getNumModels () const

const HierarchyViewModel &	getModel (std::size_t idx) const

bool	hasModelWithNumber (std::size_t num) const

const HierarchyViewModel &	getModelByNumber (std::size_t num) const

ConstModelIterator	getModelsBegin () const

ConstModelIterator	getModelsEnd () const

ConstModelIterator	begin () const

ConstModelIterator	end () const

void	build (const Chem::MolecularGraph &molgraph)
	Build the hierarchy view for the molecular graph molgraph. More...

Detailed Description

A data structure allowing a hierarchical view on biological macromolecules.

Member Typedef Documentation

◆ SharedPointer

typedef std::shared_ptr<HierarchyView> CDPL::Biomol::HierarchyView::SharedPointer

A reference-counted smart pointer [SHPTR] for dynamically allocated HierarchyView instances.

◆ ConstModelIterator

typedef boost::indirect_iterator<ModelList::const_iterator, const HierarchyViewModel> CDPL::Biomol::HierarchyView::ConstModelIterator

Constructor & Destructor Documentation

◆ HierarchyView() [1/2]

CDPL::Biomol::HierarchyView::HierarchyView ( )

Constructs an empty HierarchyView instance.

◆ HierarchyView() [2/2]

CDPL::Biomol::HierarchyView::HierarchyView ( const Chem::MolecularGraph & molgraph )

Constructs a HierarchyView instance for the molecular graph molgraph.

Parameters

molgraph The molecular graph for which to build the hierarchy view.

Member Function Documentation

◆ getResidues()

const ResidueList& CDPL::Biomol::HierarchyView::getResidues ( ) const

◆ getNumModels()

std::size_t CDPL::Biomol::HierarchyView::getNumModels ( ) const

◆ getModel()

const HierarchyViewModel& CDPL::Biomol::HierarchyView::getModel ( std::size_t idx ) const

◆ hasModelWithNumber()

bool CDPL::Biomol::HierarchyView::hasModelWithNumber ( std::size_t num ) const

◆ getModelByNumber()

const HierarchyViewModel& CDPL::Biomol::HierarchyView::getModelByNumber ( std::size_t num ) const

◆ getModelsBegin()

ConstModelIterator CDPL::Biomol::HierarchyView::getModelsBegin ( ) const

◆ getModelsEnd()

ConstModelIterator CDPL::Biomol::HierarchyView::getModelsEnd ( ) const

◆ begin()

ConstModelIterator CDPL::Biomol::HierarchyView::begin ( ) const

◆ end()

ConstModelIterator CDPL::Biomol::HierarchyView::end ( ) const

◆ build()

void CDPL::Biomol::HierarchyView::build ( const Chem::MolecularGraph & molgraph )

Build the hierarchy view for the molecular graph molgraph.