small.hpp File Reference

Representation of a small molecule or inorganic crystal. Flat list of atom sites. Minimal functionality. More...

#include <cctype>
#include <algorithm>
#include <bitset>
#include <string>
#include <vector>
#include "elem.hpp"
#include "math.hpp"
#include "symmetry.hpp"
#include "unitcell.hpp"
#include "util.hpp"

Go to the source code of this file.

Classes
struct	gemmi::SmallStructure
struct	gemmi::SmallStructure::Site
struct	gemmi::SmallStructure::AtomType

Namespaces
namespace	gemmi

Functions
bool	gemmi::is_complete (const GroupOps &gops)
std::vector< Op >	gemmi::triplets_to_ops (const std::vector< std::string > &symops)
template<typename T >
void	gemmi::split_element_and_charge (const std::string &label, T *dest)

Detailed Description

Representation of a small molecule or inorganic crystal. Flat list of atom sites. Minimal functionality.

Definition in file small.hpp.