gemmi/model.hpp file

Contents

Namespaces

namespace gemmi
namespace gemmi::impl

Classes

struct gemmi::Entity
struct gemmi::Entity::DbRef
struct gemmi::Atom
struct gemmi::AtomGroup
struct gemmi::ConstAtomGroup
struct gemmi::ResidueId
struct gemmi::Residue
struct gemmi::ConstResidueSpan
struct gemmi::ResidueSpan
struct gemmi::ResidueGroup
struct gemmi::ConstResidueGroup
struct gemmi::ResidueSpan::GroupingProxy
struct gemmi::Chain
struct gemmi::AtomAddress
struct gemmi::const_CRA
struct gemmi::CRA
struct gemmi::Connection
struct gemmi::Helix
struct gemmi::Sheet
struct gemmi::Sheet::Strand
template<typename CraT>
class gemmi::CraIterPolicy
template<typename CraT, typename ChainsRefT>
struct gemmi::CraProxy_
struct gemmi::Model
struct gemmi::NcsOp
struct gemmi::Assembly
struct gemmi::Assembly::Oper
struct gemmi::Assembly::Gen
struct gemmi::Structure

Enums

enum class CoorFormat { Unknown, UnknownAny, Pdb, Mmcif, Mmjson, ChemComp }
enum class EntityType: unsigned char { Unknown, Polymer, NonPolymer, Water }
enum class PolymerType: unsigned char { Unknown, PeptideL, PeptideD, Dna, Rna, DnaRnaHybrid, SaccharideD, SaccharideL, Pna, CyclicPseudoPeptide, Other }

Typedefs

using CraProxy = CraProxy_<CRA, std::vector<Chain>&>
using ConstCraProxy = CraProxy_<const_CRA, const std::vector<Chain>&>

Functions

template<typename T>
auto find_or_null(std::vector<T>& vec, const std::string& name) -> T*
template<typename T>
auto find_or_add(std::vector<T>& vec, const std::string& name) -> T&
template<typename Span, typename T = typename Span::value_type>
auto find_iter(Span& span, const std::string& name) -> Span::iterator
template<typename Group>
auto get_by_altloc(Group& group, char alt) -> Group::element_type&
template<typename T, typename M>
auto model_subchains(M* model) -> std::vector<T>
auto is_polypeptide(PolymerType pt) -> bool
auto is_polynucleotide(PolymerType pt) -> bool
auto is_same_conformer(char altloc1, char altloc2) -> bool
template<typename T, typename Ch>
auto chain_subchains(Ch* ch) -> std::vector<T>
auto atom_str(const std::string& chain_name, const ResidueId& res_id, const std::string& atom_name, char altloc) -> std::string
auto atom_str(const Chain& chain, const ResidueId& res_id, const Atom& atom) -> std::string
auto atom_str(const const_CRA& cra) -> std::string
auto atom_matches(const const_CRA& cra, const AtomAddress& addr) -> bool
auto get_mmcif_connection_type_id(Connection::Type t) -> const char*
auto get_entity_of(const ConstResidueSpan& sub, const std::vector<Entity>& entities) -> const Entity*