Associate phase ID with SolutionBase object

Author: Ingmar Schoegl

include/cantera/base/Base.h

@@ -31,29 +31,42 @@ class SolutionBase : public std::enable_shared_from_this<SolutionBase>
 
     //! String indicating the type of the SolutionBase object. Corresponds
     //! to the type of phase originally instantiated
-    std::string type() const {
-        return m_type;
-    }
+    std::string type() const;
 
     //! Set the type of this SolutionBase object
-    void setType(const std::string& type){
-        m_type = type;
-    }
+    void setType(const std::string& type);
+
+    /*! Name and ID
+     * Class SolutionBase references two strings that identify a SolutionBase.
+     * The ID is the value of the ID attribute of the XML/YAML node that is used
+     * to initialize a phase when it is read. The name field is also initialized
+     * to the value of the ID attribute of the XML/YAML node.
+     *
+     * However, the name field may be changed to another value during the course
+     * of a calculation. For example, if a SolutionBase is located in two places,
+     * but has the same constitutive input, the IDs of the two SolutionBases
+     * will be the same, but the names of the two SOlutionBases  may be different.
+     *
+     * It is an error to have two phases in a single problem with the same name
+     * and ID (or the name from one phase being the same as the id of another
+     * SolutionBase). Thus, it is expected that there is a 1-1 correspondence
+     * between names and unique SolutionBase objects within a Cantera problem.
+     */
+
+    //! Return the string id for the SolutionBase.
+    std::string id() const;
+
+    //! Set the string id for the SolutionBase.
+    void setID(const std::string& id);
 
     //! Return the name of this SolutionBase object
-    std::string name() const {
-        return m_name;
-    }
+    std::string name() const;
 
     //! Set the name of this SolutionBase object
-    void setName(const std::string& name){
-        m_name = name;
-    }
+    void setName(const std::string& name);
 
     //! Generate self-documenting YAML string
-    virtual std::string toYAML() const {
-        throw NotImplementedError("SolutionBase::toYAML");
-    }
+    virtual std::string toYAML() const;
 
     //! Set the ThermoPhase object
     void setThermoPhase(shared_ptr<ThermoPhase> thermo);
@@ -70,7 +83,6 @@ class SolutionBase : public std::enable_shared_from_this<SolutionBase>
     shared_ptr<Transport> m_transport;  //! Transport manager
 
     std::string m_type;  //! type of SolutionBase object
-    std::string m_name;  //! name of SolutionBase object
 };
 
 }

interfaces/cython/cantera/_cantera.pxd

@@ -126,6 +126,8 @@ cdef extern from "cantera/base/Base.h" namespace "Cantera":
         CxxSolutionBase()
         string type()
         string setType(string)
+        string id()
+        void setID(string)
         string name()
         void setName(string)
         void setThermoPhase(shared_ptr[CxxThermoPhase])
@@ -142,10 +144,6 @@ cdef extern from "cantera/thermo/ThermoPhase.h" namespace "Cantera":
         # miscellaneous
         string type()
         string report(cbool, double) except +translate_exception
-        string name()
-        void setName(string)
-        string id()
-        void setID(string)
         double minTemp() except +translate_exception
         double maxTemp() except +translate_exception
         double refPressure() except +translate_exception

interfaces/cython/cantera/base.pyx

@@ -60,7 +60,7 @@ cdef class _SolutionBase:
         else:
             raise ValueError('Missing required keyword `base_type`.')
 
-        phase_name = pystr(self.thermo.id())
+        phase_name = pystr(self.base.id())
         name = kwargs.get('name', None)
         if name is not None:
             self.name = name
@@ -73,10 +73,23 @@ cdef class _SolutionBase:
             self.name = phase_name
 
     property type:
-        """The type of the SolutionBase object."""
+        """
+        The type of the SolutionBase object. The type is set during object
+        instantiation and cannot be modified.
+        """
         def __get__(self):
             return pystr(self.base.type())
 
+    property ID:
+        """
+        The ID of the SolutionBase object. The default is taken from the
+        CTI/XML/YAML input file.
+        """
+        def __get__(self):
+            return pystr(self.base.id())
+        def __set__(self, id_):
+            self.base.setID(stringify(id_))
+
     property name:
         """
         The name assigned to this SolutionBase object. The default is

interfaces/cython/cantera/thermo.pyx

@@ -284,15 +284,6 @@ cdef class ThermoPhase(_SolutionBase):
     def __call__(self, *args, **kwargs):
         print(self.report(*args, **kwargs))
 
-    property ID:
-        """
-        The ID of the phase. The default is taken from the CTI/XML input file.
-        """
-        def __get__(self):
-            return pystr(self.thermo.id())
-        def __set__(self, id_):
-            self.thermo.setID(stringify(id_))
-
     property basis:
         """
         Determines whether intensive thermodynamic properties are treated on a

src/base/Base.cpp

@@ -15,8 +15,7 @@ SolutionBase::SolutionBase() :
     m_thermo(nullptr),
     m_kinetics(nullptr),
     m_transport(nullptr),
-    m_type("<SolutionBase_type>"),
-    m_name("<unique_name>")
+    m_type("<SolutionBase_type>")
 {}
 
 SolutionBase::SolutionBase(const std::string& infile,
@@ -27,6 +26,53 @@ SolutionBase::SolutionBase(const std::string& infile,
     throw NotImplementedError("SolutionBase constructor from file");
 }
 
+std::string SolutionBase::type() const {
+    return m_type;
+}
+
+void SolutionBase::setType(const std::string& type){
+    m_type = type;
+}
+
+std::string SolutionBase::id() const {
+    // currently managed by ThermoPhase
+    if (m_thermo) {
+        return m_thermo->id();
+    } else {
+        throw CanteraError("SolutionBase::id()", "Missing ThermoPhase.");
+    }
+}
+
+void SolutionBase::setID(const std::string& id) {
+    // currently managed by ThermoPhase
+    if (m_thermo) {
+        return m_thermo->setID(id);
+    } else {
+        throw CanteraError("SolutionBase::setID()", "Missing ThermoPhase.");
+    }
+}
+
+std::string SolutionBase::name() const {
+    // currently managed by ThermoPhase
+    if (m_thermo) {
+        return m_thermo->name();
+    } else {
+        throw CanteraError("SolutionBase::name()", "Missing ThermoPhase.");
+    }
+}
+
+void SolutionBase::setName(const std::string& name){
+    // currently managed by ThermoPhase
+    if (m_thermo) {
+        return m_thermo->setName(name);
+    } else {
+        throw CanteraError("SolutionBase::setName()", "Missing ThermoPhase.");
+    }
+}
+
+std::string SolutionBase::toYAML() const {
+    throw NotImplementedError("SolutionBase::toYAML");
+}
 
 void SolutionBase::setThermoPhase(shared_ptr<ThermoPhase> thermo) {
     m_thermo = thermo;

src/thermo/Phase.cpp

@@ -4,13 +4,12 @@
  */
 
 // This file is part of Cantera. See License.txt in the top-level directory or
-// at https://cantera.org/license.txt for license and copyright information.
+// at http://www.cantera.org/license.txt for license and copyright information.
 
 #include "cantera/thermo/Phase.h"
 #include "cantera/base/utilities.h"
 #include "cantera/base/stringUtils.h"
 #include "cantera/base/ctml.h"
-#include "cantera/base/Base.h"
 #include "cantera/thermo/ThermoFactory.h"
 
 using namespace std;
@@ -78,22 +77,12 @@ void Phase::setID(const std::string& id_)
 
 std::string Phase::name() const
 {
-    if (m_root.expired()) {
-        return m_name;
-    } else {
-        auto root = m_root.lock();
-        return root->name();
-    }
+    return m_name;
 }
 
 void Phase::setName(const std::string& nm)
 {
-    if (m_root.expired()) {
-        m_name = nm;
-    } else {
-        auto root = m_root.lock();
-        root->setName(nm);
-    }
+    m_name = nm;
 }
 
 size_t Phase::nElements() const

src/thermo/ThermoFactory.cpp

@@ -5,7 +5,7 @@
  */
 
 // 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.
+// at https://cantera.org/license.txt for license and copyright information.
 
 #include "cantera/thermo/ThermoFactory.h"