[Thermo] Add method for setting the state using an AnyMap

Analogous to ThermoPhase::setStateFromXML, but more flexible

include/cantera/thermo/MolalityVPSSTP.h

@@ -500,6 +500,12 @@ public:
      */
     void setState_TPM(doublereal t, doublereal p, const std::string& m);
 
+    //! @copydoc ThermoPhase::setState
+    /*!
+     * Additionally uses the keys `molalities` or `M` to set the molalities.
+     */
+    virtual void setState(const AnyMap& state);
+
     virtual void getdlnActCoeffdlnN(const size_t ld, doublereal* const dlnActCoeffdlnN) {
         getdlnActCoeffdlnN_numderiv(ld, dlnActCoeffdlnN);
     }

include/cantera/thermo/SurfPhase.h

@@ -394,6 +394,12 @@ public:
      */
     void getCoverages(doublereal* theta) const;
 
+    //! @copydoc ThermoPhase::setState
+    /*!
+     * Additionally uses the key `coverages` to set the fractional coverages.
+     */
+    virtual void setState(const AnyMap& state);
+
 protected:
     //! Surface site density (kmol m-2)
     doublereal m_n0;

include/cantera/thermo/ThermoPhase.h

@@ -1140,6 +1140,31 @@ public:
      */
     virtual void setState_RPY(doublereal rho, doublereal p, const std::string& y);
 
+    //! Set the state using an AnyMap containing any combination of properties
+    //! supported by the thermodynamic model
+    /*!
+     * Accepted keys are:
+     * * `X` (mole fractions)
+     * * `Y` (mass fractions)
+     * * `T` or `temperature`
+     * * `P` or `pressure` [Pa]
+     * * `H` or `enthalpy` [J/kg]
+     * * `U` or `internal-energy` [J/kg]
+     * * `S` or `entropy` [J/kg/K]
+     * * `V` or `specific-volume` [m^3/kg]
+     * * `D` or `density` [kg/m^3]
+     *
+     * Composition can be specified as either an AnyMap of species names to
+     * values or as a composition string. All other values can be given as
+     * floating point values in Cantera's default units, or as strings with the
+     * units specified, which will be converted using the Units class.
+     *
+     * If no thermodynamic property pair is given, or only one of temperature or
+     * pressure is given, then 298.15 K and 101325 Pa will be used as necessary
+     * to fully set the state.
+     */
+    virtual void setState(const AnyMap& state);
+
     //@}
 
 private:

src/thermo/MolalityVPSSTP.cpp

@@ -271,6 +271,23 @@ void MolalityVPSSTP::setState_TPM(doublereal t, doublereal p, const std::string&
     setState_TP(t, p);
 }
 
+void MolalityVPSSTP::setState(const AnyMap& state) {
+    AnyValue molalities;
+    if (state.hasKey("molalities")) {
+        molalities = state["molalities"];
+    } else if (state.hasKey("M")) {
+        molalities = state["M"];
+    }
+
+    if (molalities.is<string>()) {
+        setMolalitiesByName(molalities.asString());
+    } else if (molalities.is<AnyMap>()) {
+        setMolalitiesByName(molalities.asMap<double>());
+    }
+
+    VPStandardStateTP::setState(state);
+}
+
 void MolalityVPSSTP::initThermo()
 {
     VPStandardStateTP::initThermo();

src/thermo/SurfPhase.cpp

@@ -289,6 +289,17 @@ void SurfPhase::setCoveragesByName(const compositionMap& cov)
     setCoverages(cv.data());
 }
 
+void SurfPhase::setState(const AnyMap& state) {
+    if (state.hasKey("coverages")) {
+        if (state["coverages"].is<string>()) {
+            setCoveragesByName(state["coverages"].asString());
+        } else {
+            setCoveragesByName(state["coverages"].asMap<double>());
+        }
+    }
+    ThermoPhase::setState(state);
+}
+
 void SurfPhase::_updateThermo(bool force) const
 {
     doublereal tnow = temperature();

src/thermo/ThermoPhase.cpp

@@ -191,6 +191,102 @@ void ThermoPhase::setState_UV(double u, double v, double rtol)
     setState_HPorUV(u, v, rtol, true);
 }
 
+void ThermoPhase::setState(const AnyMap& input_state)
+{
+    AnyMap state = input_state;
+
+    // Remap allowable synonyms
+    if (state.hasKey("mass-fractions")) {
+        state["Y"] = state["mass-fractions"];
+        state.erase("mass-fractions");
+    }
+    if (state.hasKey("mole-fractions")) {
+        state["X"] = state["mole-fractions"];
+        state.erase("mole-fractions");
+    }
+    if (state.hasKey("temperature")) {
+        state["T"] = state["temperature"];
+    }
+    if (state.hasKey("pressure")) {
+        state["P"] = state["pressure"];
+    }
+    if (state.hasKey("enthalpy")) {
+        state["H"] = state["enthalpy"];
+    }
+    if (state.hasKey("int-energy")) {
+        state["U"] = state["int-energy"];
+    }
+    if (state.hasKey("internal-energy")) {
+        state["U"] = state["internal-energy"];
+    }
+    if (state.hasKey("specific-volume")) {
+        state["V"] = state["specific-volume"];
+    }
+    if (state.hasKey("entropy")) {
+        state["S"] = state["entropy"];
+    }
+    if (state.hasKey("density")) {
+        state["D"] = state["density"];
+    }
+
+    // Set composition
+    if (state.hasKey("X")) {
+        if (state["X"].is<string>()) {
+            setMoleFractionsByName(state["X"].asString());
+        } else {
+            setMoleFractionsByName(state["X"].asMap<double>());
+        }
+        state.erase("X");
+    } else if (state.hasKey("Y")) {
+        if (state["Y"].is<string>()) {
+            setMassFractionsByName(state["Y"].asString());
+        } else {
+            setMassFractionsByName(state["Y"].asMap<double>());
+        }
+        state.erase("Y");
+    }
+    // set thermodynamic state using whichever property pair is found
+    if (state.size() == 0) {
+        setState_TP(298.15, OneAtm);
+    } else if (state.hasKey("T") && state.hasKey("P")) {
+        setState_TP(state.convert("T", "K"), state.convert("P", "Pa"));
+    } else if (state.hasKey("T") && state.hasKey("D")) {
+        setState_TR(state.convert("T", "K"), state.convert("D", "kg/m^3"));
+    } else if (state.hasKey("T") && state.hasKey("V")) {
+        setState_TV(state.convert("T", "K"), state.convert("V", "m^3/kg"));
+    } else if (state.hasKey("H") && state.hasKey("P")) {
+        setState_HP(state.convert("H", "J/kg"), state.convert("P", "Pa"));
+    } else if (state.hasKey("U") && state.hasKey("V")) {
+        setState_UV(state.convert("U", "J/kg"), state.convert("V", "m^3/kg"));
+    } else if (state.hasKey("S") && state.hasKey("P")) {
+        setState_SP(state.convert("S", "J/kg/K"), state.convert("P", "Pa"));
+    } else if (state.hasKey("S") && state.hasKey("V")) {
+        setState_SV(state.convert("S", "J/kg/K"), state.convert("V", "m^3/kg"));
+    } else if (state.hasKey("S") && state.hasKey("T")) {
+        setState_ST(state.convert("S", "J/kg/K"), state.convert("T", "K"));
+    } else if (state.hasKey("P") && state.hasKey("V")) {
+        setState_PV(state.convert("P", "Pa"), state.convert("V", "m^3/kg"));
+    } else if (state.hasKey("U") && state.hasKey("P")) {
+        setState_UP(state.convert("U", "J/kg"), state.convert("P", "Pa"));
+    } else if (state.hasKey("V") && state.hasKey("H")) {
+        setState_VH(state.convert("V", "m^3/kg"), state.convert("H", "J/kg"));
+    } else if (state.hasKey("T") && state.hasKey("H")) {
+        setState_TH(state.convert("T", "K"), state.convert("H", "J/kg"));
+    } else if (state.hasKey("S") && state.hasKey("H")) {
+        setState_SH(state.convert("S", "J/kg/K"), state.convert("H", "J/kg"));
+    } else if (state.hasKey("D") && state.hasKey("P")) {
+        setState_RP(state.convert("D", "kg/m^3"), state.convert("P", "Pa"));
+    } else if (state.hasKey("T")) {
+        setState_TP(state.convert("T", "K"), OneAtm);
+    } else if (state.hasKey("P")) {
+        setState_TP(298.15, state.convert("P", "Pa"));
+    } else {
+        throw CanteraError("ThermoPhase::setState",
+            "'state' did not specify a recognized set of properties.\n"
+            "Keys provided were: {}", input_state.keys_str());
+    }
+}
+
 void ThermoPhase::setState_conditional_TP(doublereal t, doublereal p, bool set_p)
 {
     setTemperature(t);

test/thermo/ThermoPhase_Test.cpp

@@ -75,4 +75,38 @@ TEST_F(TestThermoMethods, setState_nan)
     EXPECT_THROW(thermo->setState_TR(555, nan), CanteraError);
 }
 
+TEST_F(TestThermoMethods, setState_AnyMap)
+{
+    AnyMap state;
+    state["temperature"] = 321;
+    state["Y"] = "AR: 4, O2: 1.0";
+    state["P"] = "5 bar";
+    thermo->setState(state);
+    EXPECT_DOUBLE_EQ(thermo->temperature(), 321);
+    EXPECT_DOUBLE_EQ(thermo->pressure(), 5e5);
+    EXPECT_DOUBLE_EQ(thermo->massFraction("O2"), 0.2);
+
+    AnyMap state2;
+    state2["P"] = OneAtm;
+    state2["enthalpy"] = 0;
+    state2["X"]["O2"] = 0.9;
+    state2["X"]["AR"] = 0.1;
+    thermo->setState(state2);
+    EXPECT_DOUBLE_EQ(thermo->pressure(), OneAtm);
+    EXPECT_NEAR(thermo->temperature(), 298.15, 1e-6);
+    EXPECT_DOUBLE_EQ(thermo->moleFraction("AR"), 0.1);
+
+    AnyMap state3;
+    state3["density"] = 10;
+    state3["V"] = 0.1;
+    state3["mole-fractions"] = "O2: 1.0";
+    EXPECT_THROW(thermo->setState(state3), CanteraError);
+
+    AnyMap state4;
+    state4["mole-fractions"] = "O2: 1.0";
+    thermo->setState(state4);
+    EXPECT_DOUBLE_EQ(thermo->pressure(), OneAtm);
+    EXPECT_NEAR(thermo->temperature(), 298.15, 1e-6);
+}
+
 }