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NCBI C++ ToolKit: AtomSet Class Reference

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

Definition at line 80 of file atom_set.hpp.

◆ AtomAltList ◆ AtomMap ◆ AtomPntrKey ◆ EnsembleList ◆ AtomSet() AtomSet::AtomSet ( StructureBase *  parent, const ncbi::objects::CAtomic_coordinates &  coords  )

Definition at line 63 of file atom_set.cpp.

References AtomCoord::altConfID, AtomCoord::averageTemperature, ERRORMSG, Get(), CConformation_ensemble_Base::GetAlt_conf_ids(), i, ncbi::grid::netcache::search::fields::key, MakeKey(), StructureObject::maxTemperature, StructureObject::minTemperature, StructureObject::NO_TEMPERATURE, AtomCoord::occupancy, AtomCoord::site, string, TRACEMSG, Vector< T >::x, Vector< T >::y, and Vector< T >::z.

◆ ~AtomSet() AtomSet::~AtomSet ( void  ) ◆ GetActiveEnsemble() ◆ GetAtom()

Definition at line 252 of file atom_set.cpp.

References activeEnsemble, AtomPntr::aID, atomMap, MakeKey(), AtomPntr::mID, NULL, AtomPntr::rID, and WARNINGMSG.

Referenced by Residue::Draw(), Bond::Draw(), Molecule::DrawAllWithTerminiLabels(), StyleManager::GetBondStyle(), GetMinimumLoopLengths(), GetVirtualPeptide(), and GetVirtualResidue().

◆ HasAlt() bool AtomSet::HasAlt ( void  ) const inline ◆ HasOccup() bool AtomSet::HasOccup ( void  ) const inline ◆ HasTemp() bool AtomSet::HasTemp ( void  ) const inline ◆ MakeKey() ◆ SetActiveEnsemble() ◆ StructureSet ◆ activeEnsemble ◆ atomMap ◆ ensembles

The documentation for this class was generated from the following files:

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