xmol::proxy::smart::MoleculeSmartRef class
#include <xmol/proxy/smart/references.h>

Smart Molecule reference proxy.

Base classes

auto name() const -> const MoleculeName&: Molecule name.
auto name(const MoleculeName& name) -> MoleculeRef&
auto empty() const -> bool: Check if molecule has no residues.
auto size() const -> size_t: Number of residues in molecule.
auto frame() -> Frame&: Parent frame.
auto index() const -> MoleculeIndex
auto residues() -> ResidueSpan: Residues of the molecule.
auto atoms() -> AtomSpan: Atoms of the molecule.
auto coords() -> CoordSpan: Atoms coordinates of the residue.
auto operator!=(const MoleculeRef& rhs) const -> bool: Check if references point to same data.
auto operator==(const MoleculeRef& rhs) const -> bool: Check if references point to same data.
auto operator[](const ResidueId& id) -> std::optional<ResidueRef>: Get children residue by id.
auto operator[](residueSerial_t id) -> std::optional<ResidueRef>: Get children residue by id.
auto add_residue() -> ResidueRef: Adds residue to the end of the molecule and return its reference.

Adds residue to the end of the molecule and return its reference.

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

Appropriate Frame::reserve_residues() call prevents references invalidation