[Thermo] Add factory methods returning shared_ptr

include/cantera/base/Interface.h

@@ -52,7 +52,7 @@ class Interface : public Solution
 
 //! Create and initialize a new Interface from an input file
 /*!
- * This constructor wraps newPhase() and newKinetics()
+ * This constructor wraps newThermoPhase() and newKinetics()
  *
  * @param infile name of the input file
  * @param name   name of the surface phase in the file.
@@ -68,7 +68,7 @@ shared_ptr<Interface> newInterface(const std::string& infile,
 
 //! Create and initialize a new Interface from an input file
 /*!
- * This constructor wraps newPhase() and newKinetics()
+ * This constructor wraps newThermoPhase() and newKinetics()
  *
  * @param infile name of the input file
  * @param name   name of the phase in the file. If this is the empty string, the first
@@ -82,7 +82,7 @@ shared_ptr<Interface> newInterface(const std::string& infile,
 
 //! Create and initialize a new Interface from AnyMap objects
 /*!
- * This constructor wraps newPhase() and newKinetics()
+ * This constructor wraps newThermoPhase() and newKinetics()
  *
  * @param phaseNode the node containing the phase definition (that is, thermo model,
  *     list of species, and initial state)

include/cantera/base/Solution.h

@@ -148,7 +148,7 @@ class Solution : public std::enable_shared_from_this<Solution>
 
 //! Create and initialize a new Solution from an input file
 /*!
- * This constructor wraps newPhase(), newKinetics() and newTransport() routines
+ * This constructor wraps newThermoPhase(), newKinetics() and newTransport() routines
  * for initialization.
  *
  * @param infile name of the input file
@@ -166,8 +166,8 @@ shared_ptr<Solution> newSolution(const std::string& infile, const std::string& n
 
 //! Create and initialize a new Solution manager from an input file
 /*!
- * This constructor wraps newPhase(), newKinetics() and newTransport() routines for
- * initialization.
+ * This constructor wraps newThermoPhase(), newKinetics() and newTransport() routines
+ * for initialization.
  *
  * @param infile name of the input file
  * @param name   name of the phase in the file.
@@ -184,8 +184,8 @@ shared_ptr<Solution> newSolution(const std::string& infile,
 
 //! Create and initialize a new Solution manager from AnyMap objects
 /*!
- * This constructor wraps newPhase(), newKinetics() and newTransport() routines for
- * initialization.
+ * This constructor wraps newThermoPhase(), newKinetics() and newTransport() routines
+ * for initialization.
  *
  * @param phaseNode the node containing the phase definition (that is, thermo model,
  *     list of species, and initial state)

include/cantera/thermo/ThermoFactory.h

@@ -44,6 +44,7 @@ class ThermoFactory : public Factory<ThermoPhase>
      * @param model  The name of the thermo model
      * @returns a pointer to a new ThermoPhase object of the type specified. Throws a
      *     CanteraError if the named model isn't registered with ThermoFactory.
+     * @deprecated  To be removed after Cantera 3.0; superseded by newThermo()
      */
     virtual ThermoPhase* newThermoPhase(const std::string& model);
 
@@ -58,13 +59,15 @@ class ThermoFactory : public Factory<ThermoPhase>
     static std::mutex thermo_mutex;
 };
 
-//! @copydoc ThermoFactory::newThermoPhase
+//! @copydoc ThermoFactory::newThermo(const string&)
+//! @deprecated  To be removed after Cantera 3.0; superseded by newThermo()
 ThermoPhase* newThermoPhase(const string& model);
 
 //! Create a new ThermoPhase instance.
 /*!
  * @param model   String to look up the model against
- * @returns a shared pointer to a new ThermoPhase instance matching the model string.
+ * @returns a shared pointer to a new ThermoPhase object of the type specified. Throws a
+ *     CanteraError if the named model is not registered with ThermoFactory.
  */
 shared_ptr<ThermoPhase> newThermo(const string& model);
 
@@ -76,6 +79,11 @@ shared_ptr<ThermoPhase> newThermo(const string& model);
  *     which will be used as the default location from which to read species
  *     definitions.
  */
+shared_ptr<ThermoPhase> newThermoPhase(const AnyMap& phaseNode,
+                                       const AnyMap& rootNode=AnyMap());
+
+//! @copydoc ThermoFactory::newThermoPhase(const AnyMap&, const AnyMap&)
+//! @deprecated  To be removed after Cantera 3.0; superseded by newThermoPhase()
 unique_ptr<ThermoPhase> newPhase(const AnyMap& phaseNode,
                                  const AnyMap& rootNode=AnyMap());
 
@@ -90,6 +98,10 @@ unique_ptr<ThermoPhase> newPhase(const AnyMap& phaseNode,
  *               If this is blank, the first phase in the file is used.
  * @returns an initialized ThermoPhase object.
  */
+shared_ptr<ThermoPhase> newThermoPhase(const string& infile, const string& id);
+
+//! @copydoc ThermoFactory::newThermoPhase(const string&, const string&)
+//! @deprecated  To be removed after Cantera 3.0; superseded by newThermoPhase()
 ThermoPhase* newPhase(const std::string& infile, std::string id="");
 
 //! Initialize a ThermoPhase object

include/cantera/thermo/ThermoPhase.h

@@ -1663,7 +1663,7 @@ class ThermoPhase : public Phase
                                const AnyMap& rootNode=AnyMap());
 
     //! Returns the parameters of a ThermoPhase object such that an identical
-    //! one could be reconstructed using the newPhase(AnyMap&) function.
+    //! one could be reconstructed using the newThermoPhase(AnyMap&) function.
     //! @param withInput  If true, include additional input data fields associated
     //!   with the phase description, such as user-defined fields from a YAML input
     //!   file, as returned by the input() method.
@@ -1799,7 +1799,7 @@ class ThermoPhase : public Phase
 
 protected:
     //! Store the parameters of a ThermoPhase object such that an identical
-    //! one could be reconstructed using the newPhase(AnyMap&) function. This
+    //! one could be reconstructed using the newThermoPhase(AnyMap&) function. This
     //! does not include user-defined fields available in input().
     virtual void getParameters(AnyMap& phaseNode) const;
 

src/base/Solution.cpp

@@ -182,7 +182,7 @@ shared_ptr<Solution> newSolution(const std::string &infile,
     }
 
     if (extension == "cti" || extension == "xml") {
-        throw CanteraError("newPhase",
+        throw CanteraError("newSolution",
                            "The CTI and XML formats are no longer supported.");
     }
 
@@ -216,7 +216,7 @@ shared_ptr<Solution> newSolution(const AnyMap& phaseNode,
                                  const std::map<std::string, shared_ptr<Solution>>& related)
 {
     // thermo phase
-    auto thermo = shared_ptr<ThermoPhase>(newPhase(phaseNode, rootNode));
+    auto thermo = newThermoPhase(phaseNode, rootNode);
 
     // instantiate Solution object of the correct derived type
     shared_ptr<Solution> sol;

src/thermo/IonsFromNeutralVPSSTP.cpp

@@ -478,10 +478,10 @@ void IonsFromNeutralVPSSTP::initThermo()
             AnyMap infile = AnyMap::fromYamlFile(fileName,
                         m_input.getString("__file__", ""));
             AnyMap& phaseNode = infile["phases"].getMapWhere("name", neutralName);
-            setNeutralMoleculePhase(newPhase(phaseNode, infile));
+            setNeutralMoleculePhase(newThermoPhase(phaseNode, infile));
         } else {
             AnyMap& phaseNode = m_rootNode["phases"].getMapWhere("name", neutralName);
-            setNeutralMoleculePhase(newPhase(phaseNode, m_rootNode));
+            setNeutralMoleculePhase(newThermoPhase(phaseNode, m_rootNode));
         }
     }
 

src/thermo/LatticeSolidPhase.cpp

@@ -306,7 +306,7 @@ void LatticeSolidPhase::initThermo()
         compositionMap composition = m_input["composition"].asMap<double>();
         for (auto& item : composition) {
             AnyMap& node = m_rootNode["phases"].getMapWhere("name", item.first);
-            addLattice(newPhase(node, m_rootNode));
+            addLattice(newThermoPhase(node, m_rootNode));
         }
         setLatticeStoichiometry(composition);
     }

src/thermo/ThermoFactory.cpp

@@ -122,8 +122,17 @@ void ThermoFactory::deleteFactory()
     s_factory = 0;
 }
 
+ThermoPhase* ThermoFactory::newThermoPhase(const std::string& model)
+{
+    warn_deprecated("newThermoPhase",
+        "To be removed after Cantera 3.0; superseded by newThermo.");
+    return create(model);
+}
+
 ThermoPhase* newThermoPhase(const string& model)
 {
+    warn_deprecated("newThermoPhase",
+        "To be removed after Cantera 3.0; superseded by newThermo.");
     return ThermoFactory::factory()->create(model);
 }
 
@@ -133,13 +142,23 @@ shared_ptr<ThermoPhase> newThermo(const string& model)
     return tptr;
 }
 
-ThermoPhase* ThermoFactory::newThermoPhase(const std::string& model)
+shared_ptr<ThermoPhase> newThermoPhase(const AnyMap& phaseNode, const AnyMap& rootNode)
 {
-    return create(model);
+    if (!phaseNode.hasKey("kinetics") && phaseNode.hasKey("reactions")) {
+        throw InputFileError("newPhase", phaseNode["reactions"],
+            "Phase entry includes a 'reactions' field but does not "
+            "specify a kinetics model.");
+    }
+    shared_ptr<ThermoPhase> t = newThermo(phaseNode["thermo"].asString());
+    setupPhase(*t, phaseNode, rootNode);
+    return t;
 }
 
 unique_ptr<ThermoPhase> newPhase(const AnyMap& phaseNode, const AnyMap& rootNode)
 {
+    warn_deprecated("newPhase",
+        "To be removed after Cantera 3.0; superseded by\n"
+        "newThermoPhase(const AnyMap&, const AnyMap&).");
     if (!phaseNode.hasKey("kinetics") && phaseNode.hasKey("reactions")) {
         throw InputFileError("newPhase", phaseNode["reactions"],
             "Phase entry includes a 'reactions' field but does not "
@@ -150,24 +169,33 @@ unique_ptr<ThermoPhase> newPhase(const AnyMap& phaseNode, const AnyMap& rootNode
     return t;
 }
 
-ThermoPhase* newPhase(const std::string& infile, std::string id)
+shared_ptr<ThermoPhase> newThermoPhase(const string& infile, const string& id)
 {
     size_t dot = infile.find_last_of(".");
     string extension;
     if (dot != npos) {
         extension = toLowerCopy(infile.substr(dot+1));
     }
+    string id_ = id;
     if (id == "-") {
-        id = "";
+        id_ = "";
     }
     if (extension == "cti" || extension == "xml") {
-        throw CanteraError("newPhase",
+        throw CanteraError("newThermo",
                            "The CTI and XML formats are no longer supported.");
     }
 
     AnyMap root = AnyMap::fromYamlFile(infile);
-    AnyMap& phase = root["phases"].getMapWhere("name", id);
-    return newPhase(phase, root).release();
+    AnyMap& phase = root["phases"].getMapWhere("name", id_);
+    return newThermoPhase(phase, root);
+}
+
+ThermoPhase* newPhase(const std::string& infile, std::string id)
+{
+    warn_deprecated("newPhase",
+        "To be removed after Cantera 3.0; superseded by\n"
+        "newThermoPhase(const std::string&, const std::string&).");
+    return newThermoPhase(infile, id).get();
 }
 
 void addDefaultElements(ThermoPhase& thermo, const vector<string>& element_names) {