ScelEnumEquivalents.cc

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#include "casm/clex/ScelEnumEquivalents.hh"
 
#include "casm/clex/NeighborList.hh"
#include "casm/clex/PrimClex.hh"
#include "casm/container/Permutation.hh"
#include "casm/crystallography/Structure.hh"
#include "casm/symmetry/SymTools.hh"
#include "casm/symmetry/SymTools_impl.hh"
 
namespace CASM {
 
namespace {
 
struct MakeInvariantSubgroup {
  MakeInvariantSubgroup() {}
 
  template <typename SymOpIterator, typename SymOpOutputIterator>
  SymOpOutputIterator operator()(const Supercell &scel, SymOpIterator begin,
                                 SymOpIterator end,
                                 SymOpOutputIterator result) {
    return sym::invariant_subgroup(std::vector<SymOp>(begin, end),
                                   scel.lattice(), result);
  }
};
 
}  // namespace
 
const std::string ScelEnumEquivalents::enumerator_name = "ScelEnumEquivalents";
 
ScelEnumEquivalents::ScelEnumEquivalents(const Supercell &scel)
    : EnumEquivalents<Supercell, std::vector<SymOp>::const_iterator, SymOp,
                      SymRepIndexCompare>(
          scel.canonical_form(), scel.prim().point_group().begin(),
          scel.prim().point_group().end(), MakeInvariantSubgroup()) {}
 
}  // namespace CASM