SubCells struct
#include <gemmi/subcells.hpp>
Contents
Public types
- struct Mark
-
using item_type = std::
vector<Mark>
Constructors, destructors, conversion operators
Public functions
- void initialize(Model& model, const UnitCell& cell, double max_radius)
- void populate(bool include_h_ = true)
- void add_atom(const Atom& atom, int n_ch, int n_res, int n_atom)
-
auto get_subcell(const Fractional& fr) -> item_
type& -
template<typename Func>void for_each(const Position& pos, char alt, float radius, const Func& func)
-
auto find_atoms(const Position& pos,
char alt,
float radius) -> std::
vector<Mark*> -
auto find_neighbors(const Atom& atom,
float min_dist,
float max_dist) -> std::
vector<Mark*> - auto find_nearest_atom(const Position& pos) -> Mark*
- auto dist_sq(const Position& pos1, const Position& pos2) const -> float
- auto dist(const Position& pos1, const Position& pos2) const -> float