read_input.h

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#ifndef READ_INPUT_H
#define READ_INPUT_H
 
#include "input_item.h"
#include "source_io/module_parameter/parameter.h"
 
#include <string>
#include <fstream>
#include <sstream>
 
 
namespace ModuleIO
{
class ReadInput
{
  public:
    ReadInput(const int& rank);
    ~ReadInput(){};
    void clear()
    {
        for (auto& item: input_lists)
        {
            item.second.final_value.str("");
            item.second.str_values.clear();
        }
        readvalue_items.clear();
    }
    void read_parameters(Parameter& param, const std::string& filename_in);
 
    void create_directory(const Parameter& param);
 
    void write_parameters(const Parameter& param, const std::string& filename_out);
    static bool check_mode;
    bool check_ntype_flag = true; 
 
  private:
    void read_txt_input(Parameter& param, const std::string& filename);
    void write_txt_input(const Parameter& param, const std::string& filename);
    int current_md_step(const std::string& file_dir);
    void check_ntype(const std::string& fn, int& param_ntype);
    void add_item(const Input_Item& item);
    void set_global_dir(const Input_para& inp, System_para& sys);
    // set System_para according to input parameters
    void set_globalv(const Input_para& inp, System_para& sys);
    // system items
    void item_system();
    // items for electronic structure
    void item_elec_stru();
    // items for lcao
    void item_lcao();
    // items for relax
    void item_relax();
    // items for md
    void item_md();
    // items for ofdft
    void item_ofdft();
    // items for sdft
    void item_sdft();
    // items for deepks
    void item_deepks();
    // items for real time tddft
    void item_rt_tddft();
    // items for linear response tddft
    void item_tdofdft();
    // items for td-ofdft
    void item_lr_tddft();
    // items for output
    void item_output();
    // items for postprocess
    void item_postprocess();
    // items for some models
    void item_model();
    // items for exx
    void item_exx();
    // items for dft+u
    void item_dftu();
    // items for other
    void item_others();
 
  private:
    int rank = 0; 
 
    // All input items
    // std::map<std::string, Input_Item> input_lists;
    // use vector instead of map to keep the order of input items
    std::vector<std::pair<std::string, Input_Item>> input_lists;
 
    // read value if INPUT file has this item
    // This function will be done only when INPUT file has them.
    std::vector<Input_Item*> readvalue_items;
    //-----------------------------------------------------------------
 
    // bcast all values function
    // if no MPI, this function will resize the vector
    // This function must be done, no matter INPUT file has them or not.
    std::vector<std::function<void(Parameter&)>> bcastfuncs;
};
 
// convert string vector to a long string
std::string longstring(const std::vector<std::string>& str_values);
// convert string to bool
bool assume_as_boolean(const std::string& val);
// convert to directory format
std::string to_dir(const std::string& str);
// return a warning string if the string is not found in the vector
std::string nofound_str(std::vector<std::string> init_chgs, const std::string& str);
 
 
// filter non-ASCII characters from ifstream and output to stringstream
// return true if successful, false otherwise
bool filter_nonascii_and_comment(std::ifstream& ifs,
                       std::stringstream& out_ascii_stream);
 
 
} // namespace ModuleIO
 
#endif