ncbi::objects::CMolecule_graph& graph,
75eDNA = ncbi::objects::CBiomol_descr::eMolecule_type_dna,
76 eRNA= ncbi::objects::CBiomol_descr::eMolecule_type_rna,
77 eProtein= ncbi::objects::CBiomol_descr::eMolecule_type_protein,
78eBiopolymer = ncbi::objects::CBiomol_descr::eMolecule_type_other_biopolymer,
79eSolvent = ncbi::objects::CBiomol_descr::eMolecule_type_solvent,
80eNonpolymer = ncbi::objects::CBiomol_descr::eMolecule_type_other_nonpolymer,
81 eOther= ncbi::objects::CBiomol_descr::eMolecule_type_other
119 bool IsHeterogen(
void)
const{
return(!IsProtein() && !IsNucleotide() && !IsSolvent()); }
121 unsigned int NResidues(
void)
const{
returnresidues.size(); }
124ResidueMap::const_iterator
info=residues.find(rID);
125 if(
info!= residues.end())
return(*info).second->GetAtomInfo(aID);
132 VectorGetResidueColor(
intsequenceIndex)
const;
136 intGetAlphaCoords(
intnResidues,
const int*seqIndexes,
const Vector* *coords)
const;
141{
return(IsProtein() && residueSecondaryStructures[residueID - 1] == eHelix); }
143{
return(IsProtein() && residueSecondaryStructures[residueID - 1] == eStrand); }
145{
return(!IsProtein() || residueSecondaryStructures[residueID - 1] == eCoil); }
149{
returnresidueDomains[residueID - 1]; }
152 boolDrawAllWithTerminiLabels(
const AtomSet*atomSet =
NULL)
const;
User-defined methods of the data storage class.
User-defined methods of the data storage class.
User-defined methods of the data storage class.
static const CBiostruc_residue_graph_set * standardDictionary
bool IsResidueInHelix(int residueID) const
std::vector< int > residueDomains
std::map< int, const Residue * > ResidueMap
int ResidueDomainID(int residueID) const
DisulfideMap disulfideMap
bool IsNucleotide(void) const
bool IsBiopolymer(void) const
const Residue::AtomInfo * GetAtomInfo(int rID, int aID) const
DisplayListList displayLists
bool IsResidueInCoil(int residueID) const
std::list< const Bond * > BondList
std::vector< eSecStruc > residueSecondaryStructures
static const int NO_DOMAIN_SET
bool IsHeterogen(void) const
const MoleculeIdentifier * identifier
std::list< unsigned int > DisplayListList
BondList interResidueBonds
const Sequence * sequence
std::map< int, int > DisulfideMap
bool IsResidueInStrand(int residueID) const
bool IsProtein(void) const
unsigned int NResidues(void) const
bool IsSolvent(void) const
#define ERR_POST(message)
Error posting with file, line number information but without error codes.
void Warning(CExceptionArgs_Base &args)
#define END_SCOPE(ns)
End the previously defined scope.
#define BEGIN_SCOPE(ns)
Define a new scope.
std::list< ncbi::CRef< ncbi::objects::CResidue_graph > > ResidueGraphList
Magic spell ;-) needed for some weird compilers... very empiric.
The NCBI C++/STL use hints.
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