[Thermo] Add PDSS objects to VPStandardStateTP without XML

Added PDSSFactory class to generalize PDSS object creation

include/cantera/thermo/PDSSFactory.h

@@ -0,0 +1,59 @@
+//! @file PDSSFactory.h
+
+// This file is part of Cantera. See License.txt in the top-level directory or
+// at http://www.cantera.org/license.txt for license and copyright information.
+
+#ifndef PDSS_FACTORY_H
+#define PDSS_FACTORY_H
+
+#include "PDSS.h"
+#include "cantera/base/FactoryBase.h"
+#include "cantera/thermo/VPStandardStateTP.h"
+
+namespace Cantera
+{
+
+class PDSSFactory : public Factory<PDSS>
+{
+public:
+    //! Static function that creates a static instance of the factory.
+    static PDSSFactory* factory() {
+        std::unique_lock<std::mutex> lock(thermo_mutex);
+        if (!s_factory) {
+            s_factory = new PDSSFactory;
+        }
+        return s_factory;
+    }
+
+    //! delete the static instance of this factory
+    virtual void deleteFactory() {
+        std::unique_lock<std::mutex> lock(thermo_mutex);
+        delete s_factory;
+        s_factory = 0;
+    }
+
+    //! Create a new thermodynamic property manager.
+    /*!
+     * @param model  String to look up the model against
+     * @returns a pointer to a new PDSS instance matching the model string.
+     *   Returns NULL if something went wrong. Throws an exception if the string
+     *   wasn't matched.
+     */
+    virtual PDSS* newPDSS(const std::string& model);
+
+private:
+    //! static member of a single instance
+    static PDSSFactory* s_factory;
+
+    //! Private constructors prevents usage
+    PDSSFactory();
+
+    //! Decl for locking mutex for thermo factory singleton
+    static std::mutex thermo_mutex;
+};
+
+PDSS* newPDSS(const std::string& model);
+
+}
+
+#endif

include/cantera/thermo/VPStandardStateTP.h

@@ -247,7 +247,8 @@ public:
     using Phase::addSpecies;
     virtual bool addSpecies(shared_ptr<Species> spec);
 
-    void createInstallPDSS(size_t k, const XML_Node& s, const XML_Node* phaseNode_ptr);
+    //! Install a PDSS object for species *k*
+    void installPDSS(size_t k, std::unique_ptr<PDSS>&& pdss);
 
     PDSS* providePDSS(size_t k);
     const PDSS* providePDSS(size_t k) const;

src/thermo/PDSSFactory.cpp

@@ -0,0 +1,47 @@
+//! @file PDSSFactory.cpp
+
+// This file is part of Cantera. See License.txt in the top-level directory or
+// at http://www.cantera.org/license.txt for license and copyright information.
+
+#include "cantera/thermo/PDSSFactory.h"
+#include "cantera/thermo/PDSS_IdealGas.h"
+#include "cantera/thermo/PDSS_Water.h"
+#include "cantera/thermo/PDSS_ConstVol.h"
+#include "cantera/thermo/PDSS_SSVol.h"
+#include "cantera/thermo/PDSS_HKFT.h"
+#include "cantera/thermo/PDSS_IonsFromNeutral.h"
+
+namespace Cantera
+{
+
+PDSSFactory* PDSSFactory::s_factory = 0;
+std::mutex PDSSFactory::thermo_mutex;
+
+PDSSFactory::PDSSFactory()
+{
+    reg("ideal-gas", []() { return new PDSS_IdealGas(); });
+    reg("constant-incompressible", []() { return new PDSS_ConstVol(); });
+    m_synonyms["constant_incompressible"] = "constant-incompressible";
+    reg("water", []() { return new PDSS_Water(); });
+    m_synonyms["waterPDSS"] = m_synonyms["waterIAPWS"] = "water";
+    reg("ions-from-neutral", []() { return new PDSS_IonsFromNeutral(); });
+    m_synonyms["IonFromNeutral"] = "ions-from-neutral";
+    reg("constant", []() { return new PDSS_SSVol(); });
+    m_synonyms["temperature_polynomial"] = "constant";
+    m_synonyms["temperature-polynomial"] = "constant";
+    m_synonyms["density_temperature_polynomial"] = "constant";
+    m_synonyms["density-temperature-polynomial"] = "constant";
+    reg("HKFT", []() { return new PDSS_HKFT(); });
+}
+
+PDSS* PDSSFactory::newPDSS(const std::string& model)
+{
+    return create(model);
+}
+
+PDSS* newPDSS(const std::string& model)
+{
+    return PDSSFactory::factory()->newPDSS(model);
+}
+
+}

src/thermo/ThermoFactory.cpp

@@ -12,6 +12,7 @@
 #include "cantera/thermo/Species.h"
 #include "cantera/thermo/speciesThermoTypes.h"
 #include "cantera/thermo/SpeciesThermoFactory.h"
+#include "cantera/thermo/PDSSFactory.h"
 #include "cantera/thermo/MultiSpeciesThermo.h"
 #include "cantera/thermo/IdealGasPhase.h"
 
@@ -346,7 +347,11 @@ void importPhase(XML_Node& phase, ThermoPhase* th)
         }
         th->addSpecies(newSpecies(*s));
         if (vpss_ptr) {
-            vpss_ptr->createInstallPDSS(k, *s, &phase);
+            const XML_Node* const ss = s->findByName("standardState");
+            std::string ss_model = (ss) ? ss->attrib("model") : "ideal-gas";
+            unique_ptr<PDSS> kPDSS(newPDSS(ss_model));
+            kPDSS->setParametersFromXML(*s);
+            vpss_ptr->installPDSS(k, std::move(kPDSS));
         }
         th->saveSpeciesData(k, s);
     }

src/thermo/VPStandardStateTP.cpp

@@ -11,14 +11,10 @@
 
 #include "cantera/thermo/VPStandardStateTP.h"
 #include "cantera/thermo/PDSS.h"
-#include "cantera/thermo/PDSS_IdealGas.h"
 #include "cantera/thermo/PDSS_Water.h"
-#include "cantera/thermo/PDSS_ConstVol.h"
-#include "cantera/thermo/PDSS_SSVol.h"
-#include "cantera/thermo/PDSS_HKFT.h"
-#include "cantera/thermo/PDSS_IonsFromNeutral.h"
 #include "cantera/thermo/IonsFromNeutralVPSSTP.h"
 #include "cantera/thermo/SpeciesThermoFactory.h"
+#include "cantera/thermo/PDSSFactory.h"
 #include "cantera/base/utilities.h"
 #include "cantera/base/ctml.h"
 
@@ -256,51 +252,27 @@ void VPStandardStateTP::setState_TP(doublereal t, doublereal pres)
     calcDensity();
 }
 
-void VPStandardStateTP::createInstallPDSS(size_t k, const XML_Node& s,
-                                          const XML_Node* phaseNode)
+void VPStandardStateTP::installPDSS(size_t k, unique_ptr<PDSS>&& pdss)
 {
+    pdss->setParent(this, k);
+    pdss->setMolecularWeight(molecularWeight(k));
+    if (pdss->useSTITbyPDSS()) {
+        m_spthermo.install_STIT(k, make_shared<STITbyPDSS>(pdss.get()));
+    } else {
+        auto stit = species(k)->thermo;
+        stit->validate(speciesName(k));
+        pdss->setReferenceThermo(stit);
+        m_spthermo.install_STIT(k, stit);
+    }
+
+    if (dynamic_cast<PDSS_Water*>(pdss.get())) {
+        m_useTmpRefStateStorage = false;
+    }
+
     if (m_PDSS_storage.size() < k+1) {
         m_PDSS_storage.resize(k+1);
     }
-    PDSS* kPDSS = nullptr;
-
-    const XML_Node* const ss = s.findByName("standardState");
-    if (!ss) {
-        kPDSS = new PDSS_IdealGas();
-    } else {
-        std::string model = ss->attrib("model");
-        if (model == "constant_incompressible") {
-            kPDSS = new PDSS_ConstVol();
-        } else if (model == "waterIAPWS" || model == "waterPDSS") {
-            kPDSS = new PDSS_Water();
-            m_useTmpRefStateStorage = false;
-        } else if (model == "HKFT") {
-            kPDSS = new PDSS_HKFT();
-        } else if (model == "IonFromNeutral") {
-            kPDSS = new PDSS_IonsFromNeutral();
-        } else if (model == "constant" || model == "temperature_polynomial" || model == "density_temperature_polynomial") {
-            kPDSS = new PDSS_SSVol();
-        } else {
-            throw CanteraError("VPStandardStateTP::createInstallPDSS",
-                               "unknown standard state formulation: " + model);
-        }
-    }
-    kPDSS->setParent(this, k);
-    kPDSS->setMolecularWeight(molecularWeight(k));
-    kPDSS->setParametersFromXML(s);
-
-    if (kPDSS->useSTITbyPDSS()) {
-        auto stit = make_shared<STITbyPDSS>(kPDSS);
-        m_spthermo.install_STIT(k, stit);
-    } else {
-        shared_ptr<SpeciesThermoInterpType> stit(
-            newSpeciesThermoInterpType(s.child("thermo")));
-        stit->validate(s["name"]);
-        kPDSS->setReferenceThermo(stit);
-        m_spthermo.install_STIT(k, stit);
-    }
-
-    m_PDSS_storage[k].reset(kPDSS);
+    m_PDSS_storage[k].swap(pdss);
 }
 
 PDSS* VPStandardStateTP::providePDSS(size_t k)