SupercellClusterOrbits.hh

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#ifndef CASM_SupercellClusterOrbits
#define CASM_SupercellClusterOrbits
 
#include <set>
#include <vector>
 
#include "casm/global/definitions.hh"
 
namespace CASM {
 
class IntegralCluster;
class Structure;
class SupercellSymInfo;
class Permutation;
class PermuteIterator;
 
std::set<Index> make_cluster_site_indices(IntegralCluster const &cluster,
                                          SupercellSymInfo const &sym_info);
 
IntegralCluster make_cluster(std::set<Index> const &cluster_site_indices,
                             Structure const &prim,
                             SupercellSymInfo const &sym_info);
 
template <typename PermuteIteratorIt>
std::vector<Permutation> make_inverse_permutations(PermuteIteratorIt begin,
                                                   PermuteIteratorIt end);
 
std::set<Index> permute_cluster_site_indices(
    Permutation const &inverse_permute,
    std::set<Index> const &cluster_site_indices);
 
template <typename InversePermutationIterator>
std::set<Index> make_canonical_cluster_site_indices(
    InversePermutationIterator inverse_permutations_begin,
    InversePermutationIterator inverse_permutations_end,
    std::set<Index> const &cluster_site_indices);
 
struct ClusterSiteIndicesCompare {
  bool operator()(std::set<Index> const &LHS, std::set<Index> const &RHS) const;
};
 
template <typename InversePermutationIterator, typename ElementIterator>
std::set<std::set<Index>, ClusterSiteIndicesCompare>
make_orbit_generators_under_periodic_boundary_conditions(
    SupercellSymInfo const &sym_info,
    InversePermutationIterator inverse_permutations_begin,
    InversePermutationIterator inverse_permutations_end,
    ElementIterator element_begin, ElementIterator element_end);
 
}  // namespace CASM
 
#endif