LatticeEnumEquivalents.cc

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#include "casm/crystallography/LatticeEnumEquivalents.hh"
#include "casm/symmetry/SymGroup.hh"

namespace CASM {

  namespace {

    struct MakeInvariantSubgroup {

      MakeInvariantSubgroup(double _tol) : tol(_tol) {}

      template<typename SymOpIterator, typename SymOpOutputIterator>
      SymOpOutputIterator operator()(
        const Lattice &lat,
        SymOpIterator begin,
        SymOpIterator end,
        SymOpOutputIterator result) {
        return lat.find_invariant_subgroup(begin, end, result, tol);
      }

      double tol;
    };

  }

  const std::string LatticeEnumEquivalents::enumerator_name = "LatticeEnumEquivalents";

  LatticeEnumEquivalents::LatticeEnumEquivalents(const Lattice &lat, const SymGroup &super_g, double tol) :
    EnumEquivalents<Lattice, Array<SymOp>::const_iterator, SymOp, SymRepIndexCompare>(
      lat.canonical_form(super_g, tol), super_g.begin(), super_g.end(), MakeInvariantSubgroup(tol)) {

    if(!super_g.begin()->has_valid_master()) {
      throw std::runtime_error("Error constructing LatticeEnumEquivalents: SymGroup has no MasterSymGroup");
    }

  }

}