[Thermo] change default state for IdealSolidSolnPhase

- Fixes Cantera#595

include/cantera/thermo/IdealSolidSolnPhase.h

@@ -85,6 +85,12 @@ class IdealSolidSolnPhase : public ThermoPhase
         return "IdealSolidSoln";
     }
 
+    virtual std::vector<std::string> defaultState() const;
+    virtual std::vector<std::string> fullStates() const;
+    virtual std::vector<std::string> partialStates() const;
+    virtual void saveState(size_t lenstate, doublereal* state) const;
+    virtual void restoreState(size_t lenstate, const doublereal* state);
+
     //! @name Molar Thermodynamic Properties of the Solution
     //! @{
 

include/cantera/thermo/Phase.h

@@ -77,9 +77,6 @@ namespace Cantera
  * complicated assemblies of %Cantera Phases.
  *
  * @todo
- *   - Make the concept of saving state vectors more general, so that it can
- *     handle other cases where there are additional internal state variables,
- *     such as the voltage, a potential energy, or a strain field.
  *   - Specify that the input mole, mass, and volume fraction vectors must sum
  *     to one on entry to the set state routines. Non-conforming mole/mass
  *     fraction vectors are not thermodynamically consistent. Moreover, unless

interfaces/cython/cantera/thermo.pyx

@@ -303,6 +303,17 @@ cdef class ThermoPhase(_SolutionBase):
             states = self.thermo.partialStates()
             states = [s.decode('utf-8') for s in states]
             return {frozenset(k): k for k in states}
+
+    def _check_property(self, prop):
+        """
+        Check whether *prop* represents a valid (partial) thermodynamic state
+        """
+        valid = any([prop in self._full_states.values(),
+                     prop in self._partial_states.values()])
+        if not valid:
+            raise AttributeError("Setter/getter '{}' is not defined "
+                                 "for phase '{}'".format(prop, self.name))
+        return valid
 
     property name:
         """
@@ -1015,8 +1026,10 @@ cdef class ThermoPhase(_SolutionBase):
     property TD:
         """Get/Set temperature [K] and density [kg/m^3 or kmol/m^3]."""
         def __get__(self):
+            self._check_property('TD')
             return self.T, self.density
         def __set__(self, values):
+            self._check_property('TD')
             assert len(values) == 2, 'incorrect number of values'
             T = values[0] if values[0] is not None else self.T
             D = values[1] if values[1] is not None else self.density
@@ -1028,8 +1041,10 @@ cdef class ThermoPhase(_SolutionBase):
         fractions.
         """
         def __get__(self):
+            self._check_property('TDX')
             return self.T, self.density, self.X
         def __set__(self, values):
+            self._check_property('TDX')
             assert len(values) == 3, 'incorrect number of values'
             T = values[0] if values[0] is not None else self.T
             D = values[1] if values[1] is not None else self.density
@@ -1042,8 +1057,10 @@ cdef class ThermoPhase(_SolutionBase):
         fractions.
         """
         def __get__(self):
+            self._check_property('TDY')
             return self.T, self.density, self.Y
         def __set__(self, values):
+            self._check_property('TDY')
             assert len(values) == 3, 'incorrect number of values'
             T = values[0] if values[0] is not None else self.T
             D = values[1] if values[1] is not None else self.density
@@ -1088,8 +1105,10 @@ cdef class ThermoPhase(_SolutionBase):
         [m^3/kg or m^3/kmol].
         """
         def __get__(self):
+            self._check_property('UV')
             return self.u, self.v
         def __set__(self, values):
+            self._check_property('UV')
             assert len(values) == 2, 'incorrect number of values'
             U = values[0] if values[0] is not None else self.u
             V = values[1] if values[1] is not None else self.v
@@ -1102,8 +1121,10 @@ cdef class ThermoPhase(_SolutionBase):
         [m^3/kg or m^3/kmol], and mole fractions.
         """
         def __get__(self):
+            self._check_property('UVX')
             return self.u, self.v, self.X
         def __set__(self, values):
+            self._check_property('UVX')
             assert len(values) == 3, 'incorrect number of values'
             U = values[0] if values[0] is not None else self.u
             V = values[1] if values[1] is not None else self.v
@@ -1117,8 +1138,10 @@ cdef class ThermoPhase(_SolutionBase):
         [m^3/kg or m^3/kmol], and mass fractions.
         """
         def __get__(self):
+            self._check_property('UVY')
             return self.u, self.v, self.Y
         def __set__(self, values):
+            self._check_property('UVY')
             assert len(values) == 3, 'incorrect number of values'
             U = values[0] if values[0] is not None else self.u
             V = values[1] if values[1] is not None else self.v
@@ -1129,8 +1152,10 @@ cdef class ThermoPhase(_SolutionBase):
     property DP:
         """Get/Set density [kg/m^3] and pressure [Pa]."""
         def __get__(self):
+            self._check_property('DP')
             return self.density, self.P
         def __set__(self, values):
+            self._check_property('DP')
             assert len(values) == 2, 'incorrect number of values'
             D = values[0] if values[0] is not None else self.density
             P = values[1] if values[1] is not None else self.P
@@ -1139,8 +1164,10 @@ cdef class ThermoPhase(_SolutionBase):
     property DPX:
         """Get/Set density [kg/m^3], pressure [Pa], and mole fractions."""
         def __get__(self):
+            self._check_property('DPX')
             return self.density, self.P, self.X
         def __set__(self, values):
+            self._check_property('DPX')
             assert len(values) == 3, 'incorrect number of values'
             D = values[0] if values[0] is not None else self.density
             P = values[1] if values[1] is not None else self.P
@@ -1150,8 +1177,10 @@ cdef class ThermoPhase(_SolutionBase):
     property DPY:
         """Get/Set density [kg/m^3], pressure [Pa], and mass fractions."""
         def __get__(self):
+            self._check_property('DPY')
             return self.density, self.P, self.Y
         def __set__(self, values):
+            self._check_property('DPY')
             assert len(values) == 3, 'incorrect number of values'
             D = values[0] if values[0] is not None else self.density
             P = values[1] if values[1] is not None else self.P
@@ -1228,8 +1257,10 @@ cdef class ThermoPhase(_SolutionBase):
         m^3/kmol].
         """
         def __get__(self):
+            self._check_property('SV')
             return self.s, self.v
         def __set__(self, values):
+            self._check_property('SV')
             assert len(values) == 2, 'incorrect number of values'
             S = values[0] if values[0] is not None else self.s
             V = values[1] if values[1] is not None else self.v
@@ -1242,8 +1273,10 @@ cdef class ThermoPhase(_SolutionBase):
         m^3/kmol], and mole fractions.
         """
         def __get__(self):
+            self._check_property('SVX')
             return self.s, self.v, self.X
         def __set__(self, values):
+            self._check_property('SVX')
             assert len(values) == 3, 'incorrect number of values'
             S = values[0] if values[0] is not None else self.s
             V = values[1] if values[1] is not None else self.v
@@ -1257,8 +1290,10 @@ cdef class ThermoPhase(_SolutionBase):
         m^3/kmol], and mass fractions.
         """
         def __get__(self):
+            self._check_property('SVY')
             return self.s, self.v, self.Y
         def __set__(self, values):
+            self._check_property('SVY')
             assert len(values) == 3, 'incorrect number of values'
             S = values[0] if values[0] is not None else self.s
             V = values[1] if values[1] is not None else self.v

src/thermo/IdealSolidSolnPhase.cpp

@@ -56,6 +56,45 @@ IdealSolidSolnPhase::IdealSolidSolnPhase(XML_Node& root, const std::string& id_,
     importPhase(root, this);
 }
 
+vector<std::string> IdealSolidSolnPhase::defaultState() const
+{
+    const vector<std::string> props = {"T", "P", "Y"};
+
+    return props;
+}
+
+vector<std::string> IdealSolidSolnPhase::fullStates() const
+{
+    const vector<std::string> states = {"TPX", "TPY", "HPX", "HPY",
+                                        "SPX", "SPY"};
+    return states;
+}
+
+vector<std::string> IdealSolidSolnPhase::partialStates() const
+{
+    const vector<std::string> states = {"TP", "HP", "SP"};
+    return states;
+}
+
+void IdealSolidSolnPhase::saveState(size_t lenstate, doublereal* state) const
+{
+    state[0] = temperature();
+    state[1] = pressure();
+    getMassFractions(state + 2);
+}
+
+void IdealSolidSolnPhase::restoreState(size_t lenstate, const doublereal* state)
+{
+    if (lenstate >= nSpecies() + 2) {
+        setMassFractions_NoNorm(state + 2);
+        setTemperature(state[0]);
+        setPressure(state[1]);
+    } else {
+        throw ArraySizeError("IdealSolidSolnPhase::restoreState",
+                             lenstate,nSpecies()+2);
+    }
+}
+
 // Molar Thermodynamic Properties of the Solution
 
 doublereal IdealSolidSolnPhase::enthalpy_mole() const