FluidLibrary.cpp

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#include "FluidLibrary.h"
 
#include "Backends/Helmholtz/HelmholtzEOSBackend.h"
#include "miniz.h"
 
#if defined(COOLPROP_NO_INCBIN)
#    define INCBIN_CONST
#    define INCBIN_ALIGN
#    include "all_fluids_JSON_z.h"
#    undef INCBIN_CONST
#    undef INCBIN_ALIGN
#else
#    include "incbin.h"
// Use the magic of the incbin library to include binary data in compressed form
#    if defined(_MSC_VER)
#        include "all_fluids_JSON_z.h"
#    else
 
INCBIN(all_fluids_JSON_z, "all_fluids.json.z");
#    endif
#endif
 
namespace CoolProp {
 
static JSONFluidLibrary library;
 
void load() {
    std::vector<unsigned char> outbuffer(gall_fluids_JSON_zSize * 7);
    uLong outlen = static_cast<uLong>(outbuffer.size());
    auto code = uncompress(&outbuffer[0], &outlen, gall_fluids_JSON_zData, gall_fluids_JSON_zSize);
    std::string buf(outbuffer.begin(), outbuffer.begin() + outlen);
    if (code != 0) {
        throw ValueError("Unable to uncompress the fluid data from z compressed form");
    }
 
    if (getenv("COOLPROP_DISABLE_SUPERANCILLARIES_ENTIRELY")) {
        std::cout << "CoolProp: superancillaries have been disabled because the COOLPROP_DISABLE_SUPERANCILLARIES_ENTIRELY environment variable has "
                     "been defined"
                  << std::endl;
    }
 
    rapidjson::Document dd;
    // This json formatted string comes from the all_fluids_JSON.h header which is a C++-escaped version of the JSON file
    dd.Parse<0>(buf.c_str());
    if (dd.HasParseError()) {
        throw ValueError("Unable to load all_fluids.json");
    } else {
        try {
            library.add_many(dd);
        } catch (std::exception& e) {
            std::cout << e.what() << std::endl;
        }
    }
}
 
void JSONFluidLibrary::set_fluid_enthalpy_entropy_offset(const std::string& fluid, double delta_a1, double delta_a2, const std::string& ref) {
    // Try to find it
    std::map<std::string, std::size_t>::const_iterator it = string_to_index_map.find(fluid);
    if (it != string_to_index_map.end()) {
        std::map<std::size_t, CoolPropFluid>::iterator it2 = fluid_map.find(it->second);
        // If it is found
        if (it2 != fluid_map.end()) {
            if (!ValidNumber(delta_a1) || !ValidNumber(delta_a2)) {
                throw ValueError(format("Not possible to set reference state for fluid %s because offset values are NAN", fluid.c_str()));
            }
            it2->second.EOS().alpha0.EnthalpyEntropyOffset.set(delta_a1, delta_a2, ref);
 
            shared_ptr<CoolProp::HelmholtzEOSBackend> HEOS(new CoolProp::HelmholtzEOSBackend(it2->second));
            HEOS->specify_phase(iphase_gas);  // Something homogeneous;
            // Calculate the new enthalpy and entropy values
            HEOS->update(DmolarT_INPUTS, it2->second.EOS().hs_anchor.rhomolar, it2->second.EOS().hs_anchor.T);
            it2->second.EOS().hs_anchor.hmolar = HEOS->hmolar();
            it2->second.EOS().hs_anchor.smolar = HEOS->smolar();
 
            double f = (HEOS->name() == "Water" || HEOS->name() == "CarbonDioxide") ? 1.00001 : 1.0;
 
            // Calculate the new enthalpy and entropy values at the reducing state
            HEOS->update(DmolarT_INPUTS, it2->second.EOS().reduce.rhomolar * f, it2->second.EOS().reduce.T * f);
            it2->second.EOS().reduce.hmolar = HEOS->hmolar();
            it2->second.EOS().reduce.smolar = HEOS->smolar();
 
            // Calculate the new enthalpy and entropy values at the critical state
            HEOS->update(DmolarT_INPUTS, it2->second.crit.rhomolar * f, it2->second.crit.T * f);
            it2->second.crit.hmolar = HEOS->hmolar();
            it2->second.crit.smolar = HEOS->smolar();
 
            // Calculate the new enthalpy and entropy values
            HEOS->update(DmolarT_INPUTS, it2->second.triple_liquid.rhomolar, it2->second.triple_liquid.T);
            it2->second.triple_liquid.hmolar = HEOS->hmolar();
            it2->second.triple_liquid.smolar = HEOS->smolar();
 
            // Calculate the new enthalpy and entropy values
            HEOS->update(DmolarT_INPUTS, it2->second.triple_vapor.rhomolar, it2->second.triple_vapor.T);
            it2->second.triple_vapor.hmolar = HEOS->hmolar();
            it2->second.triple_vapor.smolar = HEOS->smolar();
 
            if (!HEOS->is_pure()) {
                // Calculate the new enthalpy and entropy values
                HEOS->update(DmolarT_INPUTS, it2->second.EOS().max_sat_T.rhomolar, it2->second.EOS().max_sat_T.T);
                it2->second.EOS().max_sat_T.hmolar = HEOS->hmolar();
                it2->second.EOS().max_sat_T.smolar = HEOS->smolar();
                // Calculate the new enthalpy and entropy values
                HEOS->update(DmolarT_INPUTS, it2->second.EOS().max_sat_p.rhomolar, it2->second.EOS().max_sat_p.T);
                it2->second.EOS().max_sat_p.hmolar = HEOS->hmolar();
                it2->second.EOS().max_sat_p.smolar = HEOS->smolar();
            }
        } else {
            throw ValueError(format("fluid [%s] was not found in JSONFluidLibrary", fluid.c_str()));
        }
    }
}
 
void JSONFluidLibrary::add_many(const std::string& JSON_string) {
 
    // First load all the baseline fluids
    if (library.is_empty()) {
        load();
    }
 
    // Then, load the fluids we would like to add
    rapidjson::Document doc;
    cpjson::JSON_string_to_rapidjson(JSON_string, doc);
    library.add_many(doc);
};
 
void JSONFluidLibrary::add_many(rapidjson::Value& listing) {
    if (!listing.IsArray()) {
        add_one(listing);
        return;
    }
    for (rapidjson::Value::ValueIterator itr = listing.Begin(); itr != listing.End(); ++itr) {
        add_one(*itr);
    }
};
 
void JSONFluidLibrary::add_one(rapidjson::Value& fluid_json) {
    _is_empty = false;
 
    // The variable index is initialized to the size of the fluid_map.
    // Since the first fluid_map key equals zero (0), index is initialized to the key
    // value for the next fluid to be added. (e.g. fluid_map[0..140]; index = 141 )
    std::size_t index = fluid_map.size();
 
    CoolPropFluid fluid;  // create a new CoolPropFluid object
 
    // Assign the fluid properties based on the passed in fluid_json
    // =============================================================
    // Parse out Fluid name
    fluid.name = fluid_json["INFO"]["NAME"].GetString();
 
    // Push the fluid name onto the name_vector used for returning the full list of library fluids
    // If it is found that this fluid already exists in the library, it will be popped back off below.
    name_vector.push_back(fluid.name);
 
    try {
        // CAS number
        if (!fluid_json["INFO"].HasMember("CAS")) {
            throw ValueError(format("fluid [%s] does not have \"CAS\" member", fluid.name.c_str()));
        }
        fluid.CAS = fluid_json["INFO"]["CAS"].GetString();
 
        // REFPROP alias
        if (!fluid_json["INFO"].HasMember("REFPROP_NAME")) {
            throw ValueError(format("fluid [%s] does not have \"REFPROP_NAME\" member", fluid.name.c_str()));
        }
        fluid.REFPROPname = fluid_json["INFO"]["REFPROP_NAME"].GetString();
 
        // FORMULA
        if (fluid_json["INFO"].HasMember("FORMULA")) {
            fluid.formula = cpjson::get_string(fluid_json["INFO"], "FORMULA");
        } else {
            fluid.formula = "N/A";
        }
 
        // Abstract references
        if (fluid_json["INFO"].HasMember("INCHI_STRING")) {
            fluid.InChI = cpjson::get_string(fluid_json["INFO"], "INCHI_STRING");
        } else {
            fluid.InChI = "N/A";
        }
 
        if (fluid_json["INFO"].HasMember("INCHI_KEY")) {
            fluid.InChIKey = cpjson::get_string(fluid_json["INFO"], "INCHI_KEY");
        } else {
            fluid.InChIKey = "N/A";
        }
 
        if (fluid_json["INFO"].HasMember("SMILES")) {
            fluid.smiles = cpjson::get_string(fluid_json["INFO"], "SMILES");
        } else {
            fluid.smiles = "N/A";
        }
 
        if (fluid_json["INFO"].HasMember("CHEMSPIDER_ID")) {
            fluid.ChemSpider_id = cpjson::get_integer(fluid_json["INFO"], "CHEMSPIDER_ID");
        } else {
            fluid.ChemSpider_id = -1;
        }
 
        if (fluid_json["INFO"].HasMember("2DPNG_URL")) {
            fluid.TwoDPNG_URL = cpjson::get_string(fluid_json["INFO"], "2DPNG_URL");
        } else {
            fluid.TwoDPNG_URL = "N/A";
        }
 
        // Parse the environmental parameters
        if (!(fluid_json["INFO"].HasMember("ENVIRONMENTAL"))) {
            if (get_debug_level() > 0) {
                std::cout << format("Environmental data are missing for fluid [%s]\n", fluid.name.c_str());
            }
        } else {
            parse_environmental(fluid_json["INFO"]["ENVIRONMENTAL"], fluid);
        }
 
        // Aliases
        fluid.aliases = cpjson::get_string_array(fluid_json["INFO"]["ALIASES"]);
 
        // Critical state
        if (!fluid_json.HasMember("STATES")) {
            throw ValueError(format("fluid [%s] does not have \"STATES\" member", fluid.name.c_str()));
        }
        parse_states(fluid_json["STATES"], fluid);
 
        if (get_debug_level() > 5) {
            std::cout << format("Loading fluid %s with CAS %s; %d fluids loaded\n", fluid.name.c_str(), fluid.CAS.c_str(), index);
        }
 
        // EOS
        parse_EOS_listing(fluid_json["EOS"], fluid);
 
        // Validate the fluid
        validate(fluid);
 
        // Ancillaries for saturation
        if (!fluid_json.HasMember("ANCILLARIES")) {
            throw ValueError(format("Ancillary curves are missing for fluid [%s]", fluid.name.c_str()));
        };
        parse_ancillaries(fluid_json["ANCILLARIES"], fluid);
 
        // Surface tension
        if (!(fluid_json["ANCILLARIES"].HasMember("surface_tension"))) {
            if (get_debug_level() > 0) {
                std::cout << format("Surface tension curves are missing for fluid [%s]\n", fluid.name.c_str());
            }
        } else {
            parse_surface_tension(fluid_json["ANCILLARIES"]["surface_tension"], fluid);
        }
 
        // Melting line
        if (!(fluid_json["ANCILLARIES"].HasMember("melting_line"))) {
            if (get_debug_level() > 0) {
                std::cout << format("Melting line curves are missing for fluid [%s]\n", fluid.name.c_str());
            }
        } else {
            parse_melting_line(fluid_json["ANCILLARIES"]["melting_line"], fluid);
        }
 
        // Parse the transport property (viscosity and/or thermal conductivity) parameters
        if (!(fluid_json.HasMember("TRANSPORT"))) {
            default_transport(fluid);
        } else {
            parse_transport(fluid_json["TRANSPORT"], fluid);
        }
 
        // If the fluid is ok...
 
        // First check that none of the identifiers are already present
        // ===============================================================
        // Remember that index is already initialized to fluid_map.size() = max index + 1.
        // If the new fluid name, CAS, or aliases are found in the string_to_index_map, then
        // the fluid is already in the fluid_map, so reset index to it's key.
 
        if (string_to_index_map.find(fluid.CAS) != string_to_index_map.end()) {
            index = string_to_index_map.find(fluid.CAS)->second;  //if CAS found, grab index
        } else if (string_to_index_map.find(fluid.name) != string_to_index_map.end()) {
            index = string_to_index_map.find(fluid.name)->second;  // if name found, grab index
        } else if (string_to_index_map.find(upper(fluid.name)) != string_to_index_map.end()) {
            index = string_to_index_map.find(upper(fluid.name))->second;  // if uppercase name found, grab index
        } else {
            // Check the aliases
            for (std::size_t i = 0; i < fluid.aliases.size(); ++i) {
                if (string_to_index_map.find(fluid.aliases[i]) != string_to_index_map.end()) {
                    index = string_to_index_map.find(fluid.aliases[i])->second;  // if alias found, grab index
                    break;
                }
                if (string_to_index_map.find(upper(fluid.aliases[i])) != string_to_index_map.end()) {  // if ALIAS found, grab index
                    index = string_to_index_map.find(upper(fluid.aliases[i]))->second;
                    break;
                }
            }
        }
 
        bool fluid_exists = false;  // Initialize flag for doing replace instead of add
 
        if (index != fluid_map.size()) {               // Fluid already in list if index was reset to something < fluid_map.size()
            fluid_exists = true;                       //   Set the flag for replace
            name_vector.pop_back();                    //   Pop duplicate name off the back of the name vector; otherwise it keeps growing!
            if (!get_config_bool(OVERWRITE_FLUIDS)) {  // Throw exception if replacing fluids is not allowed
                throw ValueError(format("Cannot load fluid [%s:%s] because it is already in library; index = [%i] of [%i]; Consider enabling the "
                                        "config boolean variable OVERWRITE_FLUIDS",
                                        fluid.name.c_str(), fluid.CAS.c_str(), index, fluid_map.size()));
            }
        }
 
        // index now holds either
        //    1. the index of a fluid that's already present, in which case it will be overwritten, or
        //    2. the fluid_map.size(), in which case a new entry will be added to the list
 
        // Add/Replace index->fluid mapping
        // If the fluid index exists, the [] operator replaces the existing entry with the new fluid;
        //    However, since fluid is a custom type, the old entry must be erased first to properly
        //    release the memory before adding in the new fluid object at the same location (index)
        if (fluid_exists) fluid_map.erase(fluid_map.find(index));
        // if not, it will add the (index,fluid) pair to the map using the new index value (fluid_map.size())
        fluid_map[index] = fluid;
 
        // Add/Replace index->JSONstring mapping to easily pull out if the user wants it
        // Convert fuid_json to a string and store it in the map at index.
        // if the fluid index exists, the [] operator replaces the existing entry with the new JSONstring;
        //    However, since fluid_json is a custom type, the old entry must be erased first to properly
        //    release the memory before adding in the new fluid object at the same location (index)
        if (fluid_exists) JSONstring_map.erase(JSONstring_map.find(index));
        // if not, it will add the new (index,JSONstring) pair to the map.
        JSONstring_map[index] = cpjson::json2string(fluid_json);
 
        // Add/Replace CAS->index mapping
        // This map helps find the index of a fluid in the fluid_map given a CAS string
        // If the CAS string exists, the [] operator will replace index with an updated index number;
        // if not, it will add a new (CAS,index) pair to the map.
        string_to_index_map[fluid.CAS] = index;
 
        // Add/Replace name->index mapping
        // This map quickly finds the index of a fluid in the fluid_map given its name string
        // Again, the map [] operator replaces if the alias is found, adds the new (name,index) pair if not
        string_to_index_map[fluid.name] = index;
 
        // Add/Replace the aliases->index mapping
        // This map quickly finds the index of a fluid in the fluid_map given an alias string
        // Again, the map [] operator replaces if the alias is found, adds the new (alias,index) pair if not
        for (std::size_t i = 0; i < fluid.aliases.size(); ++i) {
            string_to_index_map[fluid.aliases[i]] = index;
 
            // Add uppercase alias for EES compatibility
            string_to_index_map[upper(fluid.aliases[i])] = index;
        }
 
        //If Debug level set >5 print fluid name and total size of fluid_map
        if (get_debug_level() > 5) {
            std::cout << format("Loaded fluid: %s - Number of fluids = %d\n", fluid.name, fluid_map.size());
        }
 
    } catch (const std::exception& e) {
        throw ValueError(format("Unable to load fluid [%s] due to error: %s", fluid.name.c_str(), e.what()));
    }
};
 
JSONFluidLibrary& get_library(void) {
    if (library.is_empty()) {
        load();
    }
    return library;
}
 
CoolPropFluid get_fluid(const std::string& fluid_string) {
    if (library.is_empty()) {
        load();
    }
    return library.get(fluid_string);
}
 
std::string get_fluid_as_JSONstring(const std::string& identifier) {
    if (library.is_empty()) {
        load();
    }
    return library.get_JSONstring(identifier);
}
 
std::string get_fluid_list(void) {
    if (library.is_empty()) {
        load();
    }
    return library.get_fluid_list();
};
 
void set_fluid_enthalpy_entropy_offset(const std::string& fluid, double delta_a1, double delta_a2, const std::string& ref) {
    if (library.is_empty()) {
        load();
    }
    library.set_fluid_enthalpy_entropy_offset(fluid, delta_a1, delta_a2, ref);
}
 
} /* namespace CoolProp */