FillSupercell.hh

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#ifndef CASM_FillSupercell
#define CASM_FillSupercell
 
#include <memory>
#include <vector>
 
#include "casm/global/definitions.hh"
 
namespace CASM {
 
namespace xtal {
class Lattice;
}
class Configuration;
class Supercell;
class SymOp;
 
bool is_valid_sub_configuration(xtal::Lattice const &sub_configuration_lattice,
                                Supercell const &supercell);
 
Configuration fill_supercell(
    Configuration const &motif,
    std::shared_ptr<Supercell const> const &shared_supercell);
 
Configuration fill_supercell(Configuration const &motif,
                             Supercell const &supercell);
 
Configuration fill_supercell(
    SymOp const &symop, Configuration const &motif,
    std::shared_ptr<Supercell const> const &shared_supercell);
 
Configuration fill_supercell(SymOp const &symop, Configuration const &motif,
                             Supercell const &supercell);
 
template <typename ConfigOutputIterator>
ConfigOutputIterator make_all_super_configurations(
    Configuration const &configuration,
    std::shared_ptr<Supercell const> shared_supercell,
    ConfigOutputIterator result);
 
class FillSupercell {
 public:
  FillSupercell(std::shared_ptr<Supercell const> const &_shared_supercell);
 
  FillSupercell(Supercell const &_supercell);
 
  Configuration operator()(Configuration const &motif) const;
 
  Configuration operator()(SymOp const &_symop,
                           Configuration const &motif) const;
 
  const SymOp *find_symop(xtal::Lattice const &_motif_lattice) const;
 
  const SymOp &symop() const { return *m_symop_ptr; }
 
 private:
  void _init(Supercell const &_motif_scel) const;
 
  std::shared_ptr<Supercell const> m_shared_supercell;
  Supercell const *m_supercell_ptr;
 
  // These mutable members are used by `operator()`. They are mutable members
  // instead of temporary variables so they can be reused if FillSupercell is
  // called repeatedly on motif Configuration from the same Supercell.
 
  mutable SymOp const *m_symop_ptr;
  mutable Supercell const *m_motif_supercell;
  mutable std::vector<std::vector<Index> > m_index_table;
};
}  // namespace CASM
 
#endif