Adapter.hh

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#ifndef BASIS_SET_ADAPTER_HH
#define BASIS_SET_ADAPTER_HH
 
#include "casm/basis_set/DoF.hh"
#include "casm/basis_set/DoFSet.hh"
#include "casm/basis_set/OccupationDoFTraits.hh"
#include "casm/crystallography/DoFSet.hh"
 
namespace CASM {
namespace adapter {
template <typename ToType, typename FromType>
struct Adapter;
 
// TODO: Squash OccupantDoF and DiscreteDoF into a single DiscreteDoF class that
// does NOT depend on Molecule (i.e. DiscreteType)
template <typename DiscreteType>
struct Adapter<OccupantDoF<DiscreteType>, std::vector<DiscreteType>> {
  OccupantDoF<DiscreteType> operator()(
      const std::vector<xtal::Molecule> &adaptable, SymGroupRepID symrep_ID,
      int dof_id) {
    OccupantDoF<DiscreteType> dof(DoFType::occupation().val_traits(), "s",
                                  symrep_ID, adaptable);
    dof.set_ID(dof_id);
    return dof;
  }
};
 
template <>
struct Adapter<CASM::DoFSet, xtal::DoFSet> {
  CASM::DoFSet operator()(const xtal::DoFSet &adaptable,
                          SymGroupRepID symrep_ID) {
    CASM::DoFSet adapted_dofset(adaptable.traits(), adaptable.component_names(),
                                {symrep_ID, adaptable.basis()});
    adapted_dofset.set_sequential_IDs();
    adapted_dofset.lock_IDs();
    return adapted_dofset;
  }
};
 
template <>
struct Adapter<CASM::DoFSet, xtal::SiteDoFSet> {
  CASM::DoFSet operator()(const xtal::SiteDoFSet &adaptable,
                          SymGroupRepID symrep_ID, int dof_id) {
    CASM::DoFSet adapted_dofset(adaptable.traits(), adaptable.component_names(),
                                {symrep_ID, adaptable.basis()},
                                adaptable.excluded_occupants());
    adapted_dofset.set_ID(dof_id);
    return adapted_dofset;
  }
};
}  // namespace adapter
}  // namespace CASM
 
#endif