enumerate_configurations.hh

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#ifndef CASM_enum_enumerate_configurations
#define CASM_enum_enumerate_configurations
 
#include <functional>
#include <map>
#include <string>
 
#include "casm/casm_io/dataformatter/FormattedDataFile.hh"
#include "casm/clex/Configuration.hh"
 
namespace CASM {
 
class Configuration;
class PrimClex;
class Supercell;
 
namespace DB {
template <typename T>
class Database;
}
 
struct ConfigEnumOptions {
  ConfigEnumOptions(PrimClex const &primclex) : primclex_ptr(&primclex) {}
 
  std::string method_name;
 
  bool primitive_only = true;
 
  std::string filter_expression;
 
  std::function<bool(Configuration const &)> filter;
 
  bool dry_run = false;
 
  int verbosity = 10;
 
  PrimClex const *primclex_ptr = nullptr;
 
  bool output_configurations = false;
 
  FormattedDataFileOptions output_options;
 
  bool output_filtered_configurations = false;
};
 
template <typename EnumeratorType, typename InitialStateType>
struct ConfigEnumData {
  ConfigEnumData(PrimClex const &_primclex, Index _initial_state_index,
                 std::string const &_initial_state_name,
                 InitialStateType const &_initial_state,
                 EnumeratorType const &_enumerator,
                 Configuration const &_configuration)
      : primclex(_primclex),
        initial_state_index(_initial_state_index),
        initial_state_name(_initial_state_name),
        initial_state(_initial_state),
        enumerator(_enumerator),
        configuration(_configuration) {}
 
  PrimClex const &primclex;
  Index initial_state_index;
  std::string const &initial_state_name;
  InitialStateType const &initial_state;
  EnumeratorType const &enumerator;
  Configuration const &configuration;
 
  bool is_excluded_by_filter = false;
  ConfigInsertResult insert_result;
};
 
template <typename MakeEnumeratorFunction, typename InputNameValuePairIterator,
          typename ConfigEnumDataType>
void enumerate_configurations(
    PrimClex const &primclex, ConfigEnumOptions const &options,
    MakeEnumeratorFunction make_enumerator_f,
    InputNameValuePairIterator name_value_pairs_begin,
    InputNameValuePairIterator name_value_pairs_end,
    DataFormatter<ConfigEnumDataType> const &formatter);
 
}  // namespace CASM
 
#endif