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ChemicalGraph Class Reference

Search Toolkit Book for ChemicalGraph

#include "chemical_graph.hpp"
(Private to src/app/cn3d.)

+ Inheritance diagram for ChemicalGraph:
+ Collaboration diagram for ChemicalGraph:

Public Types

typedef std::map< int, const Molecule * > MoleculeMap
typedef std::list< const Bond * > BondList

Public Member Functions

 ChemicalGraph (StructureBase *parent, const ncbi::objects::CBiostruc_graph &graph, const FeatureList &features)
void RedrawMolecule (int moleculeID) const
bool DrawAll (const AtomSet *atomSet=NULL) const
const Residue::AtomInfoGetAtomInfo (const AtomPntr &atom) const
bool CheckForDisulfide (const Molecule *molecule, const ncbi::objects::CAtom_pntr &atomPtr1, const ncbi::objects::CAtom_pntr &atomPtr2, std::list< const Bond * > *bondList, Bond *bond, StructureBase *parent)
- Public Member Functions inherited from StructureBase
 StructureBase (StructureBase *parent)
virtual ~StructureBase (void)
virtual bool Draw (const AtomSet *atomSet=NULL) const
template<class T >
bool GetParentOfType (const T **ptr, bool warnIfNotFound=true) const

Public Attributes

std::string name
MoleculeMap molecules
BondList interMoleculeBonds
- Public Attributes inherited from StructureBase

Private Types

typedef std::list< std::pair< AtomSet *, const std::string * > > AtomSetList

Private Member Functions

void UnpackDomainFeatures (const ncbi::objects::CBiostruc_feature_set &featureSet)
void UnpackSecondaryStructureFeatures (const ncbi::objects::CBiostruc_feature_set &featureSet)

Private Attributes

AtomSetList atomSetList
unsigned int displayListOtherStart

Detailed Description

Definition at line 69 of file chemical_graph.hpp.

Member Typedef Documentation

◆ AtomSetList

typedef std::list< std::pair < AtomSet *, const std::string * > > ChemicalGraph::AtomSetList

Definition at line 104 of file chemical_graph.hpp.

◆ BondList

typedef std::list< const Bond * > ChemicalGraph::BondList

Definition at line 79 of file chemical_graph.hpp.

◆ MoleculeMap

typedef std::map< int, const Molecule * > ChemicalGraph::MoleculeMap

Definition at line 77 of file chemical_graph.hpp.

Constructor & Destructor Documentation

◆ ChemicalGraph()

ChemicalGraph::ChemicalGraph ( StructureBase parent,
const ncbi::objects::CBiostruc_graph &  graph,
const FeatureList features 

Member Function Documentation

◆ CheckForDisulfide()

bool ChemicalGraph::CheckForDisulfide ( const Molecule molecule,
const ncbi::objects::CAtom_pntr &  atomPtr1,
const ncbi::objects::CAtom_pntr &  atomPtr2,
std::list< const Bond * > *  bondList,
Bond bond,
StructureBase parent 

◆ DrawAll()

bool ChemicalGraph::DrawAll ( const AtomSet atomSet = NULL) const

◆ GetAtomInfo()

const Residue::AtomInfo* ChemicalGraph::GetAtomInfo ( const AtomPntr atom) const

◆ RedrawMolecule()

void ChemicalGraph::RedrawMolecule ( int  moleculeID) const

Definition at line 374 of file chemical_graph.cpp.

References DrawAll(), moleculeToRedraw, and NULL.

Referenced by Messenger::ProcessRedraws().

◆ UnpackDomainFeatures()

void ChemicalGraph::UnpackDomainFeatures ( const ncbi::objects::CBiostruc_feature_set &  featureSet)

◆ UnpackSecondaryStructureFeatures()

void ChemicalGraph::UnpackSecondaryStructureFeatures ( const ncbi::objects::CBiostruc_feature_set &  featureSet)

Member Data Documentation

◆ atomSetList

AtomSetList ChemicalGraph::atomSetList

Definition at line 105 of file chemical_graph.hpp.

Referenced by ChemicalGraph(), and DrawAll().

◆ displayListOtherStart

unsigned int ChemicalGraph::displayListOtherStart

Definition at line 106 of file chemical_graph.hpp.

Referenced by ChemicalGraph(), and DrawAll().

◆ interMoleculeBonds

BondList ChemicalGraph::interMoleculeBonds

Definition at line 80 of file chemical_graph.hpp.

Referenced by ChemicalGraph(), and DrawAll().

◆ molecules

MoleculeMap ChemicalGraph::molecules

◆ name

std::string ChemicalGraph::name

Definition at line 76 of file chemical_graph.hpp.

Referenced by ChemicalGraph(), and Sequence::GetDescription().

The documentation for this class was generated from the following files:
Modified on Fri May 24 14:54:00 2024 by rev. 669887