LatticeEnumEquivalents.cc

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#include "casm/crystallography/LatticeEnumEquivalents.hh"
 
#include "casm/crystallography/SymTools.hh"
#include "casm/symmetry/SymTools.hh"
#include "casm/symmetry/SymTools_impl.hh"
 
namespace CASM {
using sym::copy_apply;  // TODO: Template base classes still expecting
                        // CASM::copy_apply
 
namespace {
 
struct MakeInvariantSubgroup {
  MakeInvariantSubgroup() {}
 
  template <typename SymOpIterator, typename SymOpOutputIterator>
  SymOpOutputIterator operator()(const Lattice &lat, SymOpIterator begin,
                                 SymOpIterator end,
                                 SymOpOutputIterator result) {
    return sym::invariant_subgroup(std::vector<CASM::SymOp>(begin, end), lat,
                                   result);
  }
};
}  // namespace
 
const std::string LatticeEnumEquivalents::enumerator_name =
    "LatticeEnumEquivalents";
 
LatticeEnumEquivalents::LatticeEnumEquivalents(const Lattice &lat,
                                               const SymGroup &super_g)
    : EnumEquivalents<Lattice, std::vector<CASM::SymOp>::const_iterator,
                      CASM::SymOp, SymRepIndexCompare>(
          xtal::canonical::equivalent(lat, super_g), super_g.begin(),
          super_g.end(), MakeInvariantSubgroup()) {
  if (!super_g.begin()->has_valid_master()) {
    throw std::runtime_error(
        "Error constructing LatticeEnumEquivalents: SymGroup has no "
        "MasterSymGroup");
  }
}
 
}  // namespace CASM