Chemical Data Processing Library C++ API - Version 1.1.1
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A datastructure 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... | |
A datastructure allowing a hierarchical view on biological macromolecules.
typedef std::shared_ptr<HierarchyView> CDPL::Biomol::HierarchyView::SharedPointer |
A reference-counted smart pointer [SHPTR] for dynamically allocated HierarchyView
instances.
typedef boost::indirect_iterator<ModelList::const_iterator, const HierarchyViewModel> CDPL::Biomol::HierarchyView::ConstModelIterator |
CDPL::Biomol::HierarchyView::HierarchyView | ( | ) |
Constructs an empty HierarchyView
instance.
CDPL::Biomol::HierarchyView::HierarchyView | ( | const Chem::MolecularGraph & | molgraph | ) |
Constructs a HierarchyView
instance for the molecular graph molgraph.
molgraph | The molecular graph for which to build the hierarchy view. |
const ResidueList& CDPL::Biomol::HierarchyView::getResidues | ( | ) | const |
std::size_t CDPL::Biomol::HierarchyView::getNumModels | ( | ) | const |
const HierarchyViewModel& CDPL::Biomol::HierarchyView::getModel | ( | std::size_t | idx | ) | const |
bool CDPL::Biomol::HierarchyView::hasModelWithNumber | ( | std::size_t | num | ) | const |
const HierarchyViewModel& CDPL::Biomol::HierarchyView::getModelByNumber | ( | std::size_t | num | ) | const |
ConstModelIterator CDPL::Biomol::HierarchyView::getModelsBegin | ( | ) | const |
ConstModelIterator CDPL::Biomol::HierarchyView::getModelsEnd | ( | ) | const |
ConstModelIterator CDPL::Biomol::HierarchyView::begin | ( | ) | const |
ConstModelIterator CDPL::Biomol::HierarchyView::end | ( | ) | const |
void CDPL::Biomol::HierarchyView::build | ( | const Chem::MolecularGraph & | molgraph | ) |
Build the hierarchy view for the molecular graph molgraph.
molgraph | The molecular graph for which to build the hierarchy view. |