github/CoolProp
1
1
Fork 0
mirror of https://github.com/CoolProp/CoolProp.git synced 2026-04-23 03:00:17 -04:00
Code Issues Packages Projects Releases Wiki Activity

Minor adjustments in Python plots and snippet that fixes #482

Browse Source
This commit is contained in:
Jorrit Wronski
2015-02-21 18:09:32 +01:00
parent 0504516a01
commit 5ae43f32a9
2 changed files with 62 additions and 63 deletions
Download Patch File Download Diff File Expand all files Collapse all files

96
src/Backends/Helmholtz/MixtureParameters.cpp
View File

@@ -6,19 +6,19 @@
namespace CoolProp{
/** \brief A library of predefined mixtures
*
*
* Each entry in the predefined mixture library contains the names and mole fractions for the binary pairs
*/
class PredefinedMixturesLibrary{
public:
std::map<std::string, Dictionary> predefined_mixture_map;
PredefinedMixturesLibrary(){
rapidjson::Document doc;
doc.Parse<0>(predefined_mixtures_JSON.c_str());
if (doc.HasParseError()){throw ValueError();}
// Iterate over the papers in the listing
for (rapidjson::Value::ValueIterator itr = doc.Begin(); itr != doc.End(); ++itr)
{
@@ -28,9 +28,9 @@ class PredefinedMixturesLibrary{
std::string name = cpjson::get_string(*itr, "name")+".mix";
// Get the fluid names
dict.add_string_vector("fluids", cpjson::get_string_array(*itr, "fluids"));
// Get the mole fractions
// Get the mole fractions
dict.add_double_vector("mole_fractions", cpjson::get_double_array(*itr,"mole_fractions"));
predefined_mixture_map.insert(std::pair<std::string, Dictionary >(name, dict));
}
}
@@ -48,27 +48,25 @@ std::string get_csv_predefined_mixtures()
}
bool is_predefined_mixture(const std::string name, Dictionary &dict){
if (predefined_mixtures_library.predefined_mixture_map.find(name) != predefined_mixtures_library.predefined_mixture_map.end()){
dict = predefined_mixtures_library.predefined_mixture_map[name];
std::map<std::string, Dictionary>::iterator iter = predefined_mixtures_library.predefined_mixture_map.find(name);
if (iter != predefined_mixtures_library.predefined_mixture_map.end()){
dict = iter->second;
return true;
}
else{
return false;
}
} else { return false; }
}
/** \brief A library of binary pair parameters for the mixture
*
* Each entry in the binary pair library includes reducing parameters as well as the name of the reducing function to be used and
*
* Each entry in the binary pair library includes reducing parameters as well as the name of the reducing function to be used and
*/
class MixtureBinaryPairLibrary{
public:
/// Map from sorted pair of CAS numbers to reducing parameter map. The reducing parameter map is a map from key (string) to value (double)
std::map< std::vector<std::string>, std::vector<Dictionary> > binary_pair_map;
/** \brief Construct the binary pair library including all the binary pairs that are possible
*
* The data structure also includes space for a string that gives the pointer to the departure function to be used for this binary pair. *
*
* The data structure also includes space for a string that gives the pointer to the departure function to be used for this binary pair. *
*/
MixtureBinaryPairLibrary()
{
@@ -82,22 +80,22 @@ public:
{
// Get the empty dictionary to be filled by the appropriate reducing parameter filling function
Dictionary dict;
// Get the vector of CAS numbers
std::vector<std::string> CAS;
CAS.push_back(cpjson::get_string(*itr, "CAS1"));
CAS.push_back(cpjson::get_string(*itr, "CAS2"));
std::string name1 = cpjson::get_string(*itr, "Name1");
std::string name2 = cpjson::get_string(*itr, "Name2");
// Sort the CAS number vector
std::sort(CAS.begin(), CAS.end());
// A sort was carried out, names/CAS were swapped
bool swapped = CAS[0].compare(cpjson::get_string(*itr, "CAS1")) != 0;
if (swapped){ std::swap(name1, name2); }
// Populate the dictionary with common terms
dict.add_string("name1", name1);
dict.add_string("name2", name2);
@@ -106,7 +104,7 @@ public:
if (std::abs(dict.get_number("F")) > DBL_EPSILON){
dict.add_string("function", cpjson::get_string(*itr, "function"));
}
if (itr->HasMember("xi") && itr->HasMember("zeta")){
dict.add_string("type","Lemmon-xi-zeta");
// Air and HFC mixtures from Lemmon - we could also directly do the conversion
@@ -117,7 +115,7 @@ public:
dict.add_string("type","GERG-2008");
dict.add_number("gammaV", cpjson::get_double(*itr, "gammaV"));
dict.add_number("gammaT", cpjson::get_double(*itr, "gammaT"));
double betaV = cpjson::get_double(*itr, "betaV");
double betaT = cpjson::get_double(*itr, "betaT");
if (swapped){
@@ -130,7 +128,7 @@ public:
}
}
else{ throw ValueError(); }
if (binary_pair_map.find(CAS) == binary_pair_map.end()){
// Add to binary pair map by creating one-element vector
binary_pair_map.insert(std::pair<std::vector<std::string>, std::vector<Dictionary> >(CAS, std::vector<Dictionary>(1, dict)));
@@ -139,7 +137,7 @@ public:
{
binary_pair_map[CAS].push_back(dict);
}
}
}
}
};
static MixtureBinaryPairLibrary mixturebinarypairlibrary;
@@ -160,7 +158,7 @@ std::string get_mixture_binary_pair_data(const std::string &CAS1, const std::str
std::vector<std::string> CAS;
CAS.push_back(CAS1);
CAS.push_back(CAS2);
if (mixturebinarypairlibrary.binary_pair_map.find(CAS) != mixturebinarypairlibrary.binary_pair_map.end()){
std::vector<Dictionary> &v = mixturebinarypairlibrary.binary_pair_map[CAS];
try{
@@ -191,10 +189,10 @@ std::string get_reducing_function_name(std::string CAS1, std::string CAS2)
std::vector<std::string> CAS;
CAS.push_back(CAS1);
CAS.push_back(CAS2);
// Sort the CAS number vector - map is based on sorted CAS codes
std::sort(CAS.begin(), CAS.end());
if (mixturebinarypairlibrary.binary_pair_map.find(CAS) != mixturebinarypairlibrary.binary_pair_map.end()){
return mixturebinarypairlibrary.binary_pair_map[CAS][0].get_string("function");
}
@@ -209,7 +207,7 @@ class MixtureDepartureFunctionsLibrary{
public:
/// Map from sorted pair of CAS numbers to departure term dictionary.
std::map<std::string, Dictionary> departure_function_map;
MixtureDepartureFunctionsLibrary()
{
rapidjson::Document doc;
@@ -226,7 +224,7 @@ public:
{
// Get the empty dictionary to be filled in
Dictionary dict;
// Populate the dictionary with common terms
std::string Name = cpjson::get_string(*itr, "Name");
std::string type = cpjson::get_string(*itr, "type");
@@ -234,12 +232,12 @@ public:
dict.add_string("BibTeX", cpjson::get_string(*itr, "BibTeX"));
dict.add_string_vector("aliases", cpjson::get_string_array(*itr, "aliases"));
dict.add_string("type", type);
// Terms for the power (common to both types)
dict.add_double_vector("n", cpjson::get_double_array(*itr, "n"));
dict.add_double_vector("d", cpjson::get_double_array(*itr, "d"));
dict.add_double_vector("t", cpjson::get_double_array(*itr, "t"));
// Now we need to load additional terms
if (!type.compare("GERG-2008")){
// Number of terms that are power terms
@@ -263,7 +261,7 @@ public:
// Not in map, add new entry to map with dictionary as value and Name as key
departure_function_map.insert(std::pair<std::string, Dictionary>(Name, dict));
}
else
else
{
// Error if already in map!
//
@@ -283,7 +281,7 @@ static MixtureDepartureFunctionsLibrary mixturedeparturefunctionslibrary;
void MixtureParameters::set_mixture_parameters(HelmholtzEOSMixtureBackend &HEOS)
{
std::vector<CoolPropFluid*> components = HEOS.get_components();
std::size_t N = components.size();
STLMatrix beta_v, gamma_v, beta_T, gamma_T;
@@ -308,11 +306,11 @@ void MixtureParameters::set_mixture_parameters(HelmholtzEOSMixtureBackend &HEOS)
// The variable swapped is true if a swap occured.
bool swapped = (CAS1.compare(CAS[0]) != 0);
// ***************************************************
// Reducing parameters for binary pair
// ***************************************************
if (mixturebinarypairlibrary.binary_pair_map.find(CAS) == mixturebinarypairlibrary.binary_pair_map.end())
{
throw ValueError(format("Could not match the binary pair [%s,%s] - for now this is an error.", CAS[0].c_str(), CAS[1].c_str()));
@@ -320,10 +318,10 @@ void MixtureParameters::set_mixture_parameters(HelmholtzEOSMixtureBackend &HEOS)
// Get a reference to the first matching binary pair in the dictionary
Dictionary &dict_red = mixturebinarypairlibrary.binary_pair_map[CAS][0];
// Get the name of the type being used, one of GERG-2008, Lemmon-xi-zeta, etc.
std::string type_red = dict_red.get_string("type");
if (!type_red.compare("GERG-2008")){
if (swapped){
beta_v[i][j] = 1/dict_red.get_number("betaV");
@@ -340,40 +338,40 @@ void MixtureParameters::set_mixture_parameters(HelmholtzEOSMixtureBackend &HEOS)
LemmonAirHFCReducingFunction::convert_to_GERG(components,i,j,dict_red,beta_T[i][j],beta_v[i][j],gamma_T[i][j],gamma_v[i][j]);
}
else{
throw ValueError(format("type [%s] for reducing function for pair [%s, %s] is invalid", type_red.c_str(),
dict_red.get_string("Name1").c_str(),
throw ValueError(format("type [%s] for reducing function for pair [%s, %s] is invalid", type_red.c_str(),
dict_red.get_string("Name1").c_str(),
dict_red.get_string("Name2").c_str() ));
}
// ***************************************************
// Departure functions used in excess term
// ***************************************************
// Set the scaling factor F for the excess term
HEOS.Excess.F[i][j] = dict_red.get_number("F");
if (std::abs(HEOS.Excess.F[i][j]) < DBL_EPSILON){
// Empty departure function that will just return 0
std::vector<double> n(1,0), d(1,1), t(1,1), l(1,0);
HEOS.Excess.DepartureFunctionMatrix[i][j].reset(new ExponentialDepartureFunction(n,d,t,l));
continue;
}
// Get the name of the departure function to be used for this binary pair
std::string Name = CoolProp::get_reducing_function_name(components[i]->CAS, components[j]->CAS);
// Get the dictionary itself
Dictionary &dict_dep = mixturedeparturefunctionslibrary.departure_function_map[Name];
if (dict_dep.is_empty()){throw ValueError(format("Departure function name [%s] seems to be invalid",Name.c_str()));}
// These terms are common
std::vector<double> n = dict_dep.get_double_vector("n");
std::vector<double> d = dict_dep.get_double_vector("d");
std::vector<double> t = dict_dep.get_double_vector("t");
std::string type_dep = dict_dep.get_string("type");
if (!type_dep.compare("GERG-2008")){
// Number of power terms needed
int Npower = static_cast<int>(dict_dep.get_number("Npower"));