PAHdb.h

#ifndef PAHDB_H_
#define PAHDB_H_
 
#include "Exception.h"
#include "PAHGeometry.h"
 
#include <mysql++/mysql++.h>
#include <mysql++/ssqls.h>
 
sql_create_18(sql_properties, 1, 0, mysqlpp::sql_int_unsigned, uid,
              mysqlpp::sql_int_unsigned, n_h, mysqlpp::sql_int_unsigned, n_c,
              mysqlpp::sql_int_unsigned, n_n, mysqlpp::sql_int_unsigned, n_o,
              mysqlpp::sql_int_unsigned, n_mg, mysqlpp::sql_int_unsigned, n_si,
              mysqlpp::sql_int_unsigned, n_fe, mysqlpp::sql_int, charge,
              mysqlpp::sql_int_unsigned, n_solo, mysqlpp::sql_int_unsigned,
              n_duo, mysqlpp::sql_int_unsigned, n_trio,
              mysqlpp::sql_int_unsigned, n_quartet, mysqlpp::sql_int_unsigned,
              n_quintet, mysqlpp::sql_int_unsigned, n_ch,
              mysqlpp::sql_int_unsigned, n_ch2, mysqlpp::sql_int_unsigned,
              n_ch3, mysqlpp::sql_int_unsigned, n_chx);
 
#include <unistd.h>
 
#include <string>
#include <string_view>
#include <utility>
#include <vector>
 
class PAHdb {
private:
  const char *pre[3] = {"", "exp_", "anharmonic_"};
 
public:
  enum class Database : char { Theory, Experiment, Anharmonic };
 
  void connect(std::string_view database, const std::string_view host,
               std::string_view username, const std::string_view password,
               int port, bool compress, int timeout,
               const std::string_view socket);
 
  void setTable(Database table);
 
  void setProgress(double progress);
 
  void setError(const char *error);
 
  std::vector<std::vector<std::pair<double, double>>>
  getTransitionsFromUIDsAndVersion(const std::vector<int> &uids, int version);
 
  std::vector<std::vector<std::pair<double, double>>>
  getTransitionsFromUIDAndVersion(int uid, int version);
 
  std::vector<std::vector<std::pair<double, double>>>
  getTransitionsFromVersion(int version, std::vector<int> &ids);
 
  std::vector<std::vector<std::pair<double, double>>>
  getTransitionsFromIds(const std::vector<int> &ids);
 
  std::vector<std::vector<std::pair<double, double>>>
  getTransitionsFromId(int id);
 
  std::vector<std::vector<std::pair<double, double>>>
  getExperimentalAndTheoreticalTransitionsFromId(int id);
 
  std::vector<PAHGeometry> getGeometriesFromIds(const std::vector<int> &ids);
 
  std::vector<sql_properties>
  getPropertiesByUIDsAndVersion(const std::vector<int> &uids, int version);
 
  std::vector<sql_properties> getPropertiesByIDs(const std::vector<int> &ids);
 
  std::vector<std::string> getFormulaeFromIds(const std::vector<int> &ids);
 
private:
  mysqlpp::Connection _connection;
 
  Database _table;
};
 
inline void PAHdb::setTable(Database table) { _table = table; }
 
inline std::vector<std::vector<std::pair<double, double>>>
PAHdb::getTransitionsFromId(int id) {
  return (getTransitionsFromIds(std::vector<int>(1, id)));
}
 
inline std::vector<std::vector<std::pair<double, double>>>
PAHdb::getTransitionsFromUIDAndVersion(int uid, int version) {
  return (getTransitionsFromUIDsAndVersion(std::vector<int>(1, uid), version));
}
 
#endif /* PAHDB_H_ */