HydroIO.hpp

/*
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 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the following paper when you publish your work:
 *
 * [1] Drisko et al., J. Open Source Softw. 9, 7004 (2024).
 *
 * Good starting points for code and simulation methodology are:
 *
 * [2] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
 * [3] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
 * [4] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
 * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [7] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 * [9] Drisko & Gezelter, J. Chem. Theory Comput. 20, 4986-4997 (2024).
 */
 
#ifndef HYDRODYNAMICS_HYDROIO_HPP
#define HYDRODYNAMICS_HYDROIO_HPP
 
#include <map>
 
#include "hydrodynamics/HydroProp.hpp"
 
#if defined(NLOHMANN_JSON)
#include <nlohmann/json.hpp>
using ordered_json = nlohmann::ordered_json;
using json         = nlohmann::json;
#elif defined(RAPID_JSON)
#define RAPIDJSON_NOMEMBERITERATORCLASS
#include <rapidjson/document.h>
#include <rapidjson/error/en.h>
#include <rapidjson/istreamwrapper.h>
#include <rapidjson/ostreamwrapper.h>
#include <rapidjson/prettywriter.h>
using namespace rapidjson;
#endif
 
namespace OpenMD {
  class HydroIO {
  public:
    HydroIO() {}
 
    ~HydroIO();
 
    void openDocument(std::istream& is);
 
    void openWriter(std::ostream& os);
    void writeHydroProp(HydroProp* hp, RealType viscosity, RealType temperature,
                        std::ostream& os);
    void closeWriter(std::ostream& os);
 
    std::map<std::string, HydroProp*> parseHydroFile(const std::string& f);
 
    void interpretHydroProp(HydroProp* hp, RealType viscosity,
                            RealType temperature);
 
  private:
#if defined(NLOHMANN_JSON)
    ordered_json j_;
#elif defined(RAPID_JSON)
    std::ostream* os_;
    rapidjson::OStreamWrapper* osw_;
    rapidjson::PrettyWriter<rapidjson::OStreamWrapper> w_;
    rapidjson::Document d_;
#endif
    bool writerOpen_;
  };
}  // namespace OpenMD
 
#endif