HamiltonianModules.cc

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#include "casm/app/HamiltonianModules_impl.hh"
#include "casm/crystallography/SymRepBuilder.hh"
#include "casm/misc/ParsingDictionary.hh"
namespace CASM {
 
template <>
HamiltonianModules::SymRepBuilderDictionary
make_parsing_dictionary<SymRepBuilderInterface>() {
  HamiltonianModules::SymRepBuilderDictionary dict;
  dict.insert(SymRepBuilder::Identity(), SymRepBuilder::Cartesian(),
              SymRepBuilder::TimeReversal(), SymRepBuilder::AngularMomentum(),
              SymRepBuilder::Rank2Tensor(), SymRepBuilder::dOrbitalOccupation(),
              SymRepBuilder::dOrbitalOccupationSpinPolarized());
  return dict;
}
 
HamiltonianModules::HamiltonianModules(ProjectSettings const *_set)
    : m_dof_dict(make_parsing_dictionary<DoFDictionary::value_type>().clone()),
      m_aniso_val_dict(
          make_parsing_dictionary<AnisoValDictionary::value_type>().clone()),
      m_symrep_builder_dict(
          make_parsing_dictionary<SymRepBuilderDictionary::value_type>()
              .clone()) {
  // std::cout << "Inside HamiltonianModules Constructor\n";
  // add DoF plugins
  if (_set) {
    load_dof_plugins(*_set, std::inserter(*m_dof_dict, m_dof_dict->end()),
                     std::inserter(m_dof_lib, m_dof_lib.end()));
 
    // add attribute plugins
    load_symrep_builder_plugins(
        *_set,
        std::inserter(*m_symrep_builder_dict, m_symrep_builder_dict->end()),
        std::inserter(m_symrep_builder_lib, m_symrep_builder_lib.end()));
  }
}
 
HamiltonianModules::~HamiltonianModules() {
  m_aniso_val_dict->clear();
 
  // order of deletion matters
  m_dof_dict->clear();
  m_dof_lib.clear();
 
  // order of deletion matters
  m_symrep_builder_dict->clear();
  m_symrep_builder_lib.clear();
}
 
// std::unique_ptr<HamiltonianModules > HamiltonianModules::clone() const {
// return std::unique_ptr<HamiltonianModules >(new HamiltonianModules(*this));
//}
 
HamiltonianModules::DoFDictionary &HamiltonianModules::dof_dict() {
  return *m_dof_dict;
}
 
HamiltonianModules::DoFDictionary const &HamiltonianModules::dof_dict() const {
  return *m_dof_dict;
}
 
HamiltonianModules::AnisoValDictionary &HamiltonianModules::aniso_val_dict() {
  return *m_aniso_val_dict;
}
 
HamiltonianModules::AnisoValDictionary const &
HamiltonianModules::aniso_val_dict() const {
  return *m_aniso_val_dict;
}
 
HamiltonianModules::SymRepBuilderDictionary &
HamiltonianModules::symrep_builder_dict() {
  return *m_symrep_builder_dict;
}
 
HamiltonianModules::SymRepBuilderDictionary const &
HamiltonianModules::symrep_builder_dict() const {
  return *m_symrep_builder_dict;
}
 
}  // namespace CASM