xmol::proxy::ResidueRef class
#include <xmol/proxy/proxy.h>

Lightweight residue reference.

For ref-counting reference see smart::ResidueSmartRef

Public functions

auto name() const -> const ResidueName&: Residue name.
auto name(const ResidueName& name) -> ResidueRef&
auto name(const char* name) -> ResidueRef&
auto id() const -> const ResidueId&: Residue id.
auto id(const ResidueId& value) -> ResidueRef&
auto id(int serial) -> ResidueRef&
auto empty() const -> bool: Check if residue has no atoms.
auto size() const -> size_t: Number of atoms in the residue.
auto index() const -> ResidueIndex noexcept: Index of the residue in frame (0-based)
auto molecule() -> MoleculeRef: Parent molecule.
auto frame() -> Frame&: Parent frame.
auto frame() const -> const Frame&: Parent frame.
auto atoms() -> AtomSpan: Atoms of the residue.
auto coords() -> CoordSpan: Atom coordinates of the molecule.
auto next() -> std::optional<ResidueRef>: Next residue in the molecule.
auto prev() -> std::optional<ResidueRef>: Previous residue in the molecule.
auto operator[](const AtomName& name) -> std::optional<AtomRef>: Get children atom by name.
auto operator[](const char* name) -> std::optional<proxy::AtomRef>
auto operator[](const std::string& name) -> std::optional<proxy::AtomRef>
auto smart() -> smart::ResidueSmartRef: Create smart reference from this.
auto operator!=(const ResidueRef& rhs) const -> bool: Check if references point to same data.
auto operator==(const ResidueRef& rhs) const -> bool
auto add_atom() -> AtomRef: Adds atom to the end of the reside and return its reference.

Adds atom to the end of the reside and return its reference.

Invalidates all kinds of non-smart atom references including proxy::ResidueRef, proxy::ResidueRefSpan and proxy::ResidueSelection

Appropriate Frame::reserve_atoms() call prevents references invalidation