ConfigEnumInput.cc

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#include "casm/clex/Supercell.hh"
#include "casm/clusterography/SupercellClusterOrbits.hh"
#include "casm/enumerator/ConfigEnumInput_impl.hh"
#include "casm/symmetry/PermuteIterator.hh"
 
namespace CASM {
 
ConfigEnumInput::ConfigEnumInput(Configuration const &_configuration)
    : m_configuration(_configuration) {
  select_all_sites();
}
 
ConfigEnumInput::ConfigEnumInput(Supercell const &_supercell)
    : ConfigEnumInput(Configuration::zeros(_supercell)) {}
 
ConfigEnumInput::ConfigEnumInput(
    Configuration const &_configuration,
    std::set<Index> const &_site_index_selection = {})
    : m_site_index_selection(_site_index_selection),
      m_configuration(_configuration) {}
 
ConfigEnumInput::ConfigEnumInput(
    Supercell const &_supercell,
    std::set<Index> const &_site_index_selection = {})
    : ConfigEnumInput(Configuration::zeros(_supercell), _site_index_selection) {
}
 
Configuration const &ConfigEnumInput::configuration() const {
  return m_configuration;
}
 
// /// (deprecated) Prefer using configuration()
// Configuration const &ConfigEnumInput::config() const {
//   return configuration();
// }
//
// /// (deprecated) Prefer using configuration()
// Supercell const &ConfigEnumInput::supercell() const {
//   return configuration().supercell();
// }
//
// /// (deprecated) Prefer using configuration()
// ConfigDoF const &ConfigEnumInput::configdof() const {
//   return configuration().configdof();
// }
 
std::set<Index> const &ConfigEnumInput::sites() const {
  return m_site_index_selection;
}
 
void ConfigEnumInput::clear_sites() { m_site_index_selection.clear(); }
 
void ConfigEnumInput::select_all_sites() {
  for (Index i = 0; i < configuration().size(); ++i)
    m_site_index_selection.insert(i);
}
 
void ConfigEnumInput::select_site(Index site_index) {
  m_site_index_selection.insert(site_index);
}
 
void ConfigEnumInput::select_site(UnitCellCoord const &site_uccord) {
  auto const &converter =
      configuration().supercell().sym_info().unitcellcoord_index_converter();
  m_site_index_selection.insert(converter(site_uccord));
}
 
void ConfigEnumInput::select_sublattice(Index sublattice_index) {
  Index b = sublattice_index;
  Index V = m_configuration.supercell().volume();
  for (Index i = b * V; i < (b + 1) * V; ++i) {
    m_site_index_selection.insert(i);
  }
}
 
std::vector<PermuteIterator> make_invariant_subgroup(
    ConfigEnumInput const &config_enum_input) {
  std::vector<PermuteIterator> factor_group =
      config_enum_input.configuration().factor_group();
  return make_invariant_subgroup(config_enum_input, factor_group.begin(),
                                 factor_group.end());
}
 
}  // namespace CASM