[Kinetics] Apply suggestions from review comments

include/cantera/kinetics/Arrhenius.h

@@ -225,7 +225,6 @@ class ArrheniusRate : public ArrheniusBase
     }
 };
 
-typedef ArrheniusRate Arrhenius;
 }
 
 #endif

include/cantera/kinetics/GasKinetics.h

@@ -138,6 +138,7 @@ class GasKinetics : public BulkKinetics
 
     //! Helper function ensuring that all rate derivatives can be calculated
     //! @param name  method name used for error output
+    //! @throw CanteraError if ideal gas assumption does not hold
     void assertDerivativesValid(const std::string& name);
 
     //! @}

include/cantera/kinetics/Kinetics.h

@@ -581,7 +581,7 @@ class Kinetics
     //!  - `_ddX`: derivative with respect to species mole fractions (a matrix)
     //!
     //! Settings for derivative evaluation are set by keyword/value pairs using
-    //! the methods @see getDerivativeSettings and @see setDerivativeSettings.
+    //! the methods getDerivativeSettings() and setDerivativeSettings().
     //!
     //! For GasKinetics, the following keyword/value pairs are supported:
     //!  - `skip-third-bodies` (boolean) ... if `false` (default), third body
@@ -1003,7 +1003,7 @@ class Kinetics
      * String specifying the type of reaction.
      *
      * @param i   reaction index
-     * @version  Method returned magic number prior to Cantera 3.0.
+     * @since  Method returned magic number prior to Cantera 3.0.
      */
     virtual std::string reactionType(size_t i) const;
 
@@ -1045,7 +1045,7 @@ class Kinetics
      * The computed values include all temperature-dependent and pressure-dependent
      * contributions. By default, third-body concentrations are only considered if
      * they are part of the reaction rate definition; for a legacy implementation that
-     * includes third-body concentrations @see Cantera::use_legacy_rate_constants().
+     * includes third-body concentrations see Cantera::use_legacy_rate_constants().
      * Length is the number of reactions. Units are a combination of kmol, m^3 and s,
      * that depend on the rate expression for the reaction.
      *
@@ -1062,7 +1062,7 @@ class Kinetics
      * The computed values include all temperature-dependent and pressure-dependent
      * contributions. By default, third-body concentrations are only considered if
      * they are part of the reaction rate definition; for a legacy implementation that
-     * includes third-body concentrations @see Cantera::use_legacy_rate_constants().
+     * includes third-body concentrations see Cantera::use_legacy_rate_constants().
      * Length is the number of reactions. Units are a combination of kmol, m^3 and s,
      * that depend on the rate expression for the reaction. Note, this routine will
      * return rate constants for irreversible reactions if the default for

include/cantera/kinetics/PlogRate.h

@@ -117,9 +117,9 @@ class PlogRate final : public ReactionRate
 
             auto iter = pressures_.upper_bound(logP_);
             AssertThrowMsg(iter != pressures_.end(), "PlogRate::updateFromStruct",
-                        "Pressure out of range: {}", logP_);
+                           "Pressure out of range: {}", logP_);
             AssertThrowMsg(iter != pressures_.begin(), "PlogRate::updateFromStruct",
-                        "Pressure out of range: {}", logP_);
+                           "Pressure out of range: {}", logP_);
 
             // upper interpolation pressure
             logP2_ = iter->first;
@@ -200,6 +200,5 @@ class PlogRate final : public ReactionRate
     double rDeltaP_; //!< reciprocal of (logP2 - logP1)
 };
 
-typedef PlogRate Plog;
 }
 #endif

include/cantera/kinetics/Reaction.h

@@ -62,6 +62,16 @@ class Reaction
     //! where the reaction occurs. Sets the value of #rate_units.
     UnitStack calculateRateCoeffUnits(const Kinetics& kin);
 
+    //! Calculate the units of the rate constant.
+    //! @deprecated  To be removed after Cantera 3.0. Replaceable by
+    //!              calculateRateCoeffUnits.
+    UnitStack calculateRateCoeffUnits3(const Kinetics& kin) {
+        warn_deprecated("Reaction::calculateRateCoeffUnits3",
+            "Deprecated in Cantera 3.0 and to be removed thereafter; replaceable "
+            "by calculateRateCoeffUnits.");
+        return calculateRateCoeffUnits(kin);
+    }
+
     //! Ensure that the rate constant and other parameters for this reaction are
     //! valid.
     virtual void validate();
@@ -313,5 +323,8 @@ std::vector<shared_ptr<Reaction>> getReactions(const AnyValue& items,
 void parseReactionEquation(Reaction& R, const std::string& equation,
                            const AnyBase& reactionNode, const Kinetics* kin);
 
+using ThreeBodyReaction3 = ThreeBodyReaction; // @todo: remove after Cantera 3.0
+using FalloffReaction3 = FalloffReaction; // @todo: remove after Cantera 3.0
+
 }
 #endif

include/cantera/kinetics/ThirdBodyCalc.h

@@ -151,6 +151,7 @@ class ThirdBodyCalc
     Eigen::SparseMatrix<double> m_multipliers;
 };
 
+using ThirdBodyCalc3 = ThirdBodyCalc; // @todo: remove after Cantera 3.0
 
 }
 

src/base/application.h

@@ -365,7 +365,7 @@ class Application
      * consistent with conventional definitions (for example Eq. 9.75 in Kee, Coltrin
      * and Glarborg, 'Chemically Reacting Flow', Wiley Interscience, 2003). If set to
      * 'true', output for rate constants of three-body reactions is multiplied by
-     * third-body concentrations (legacy behavior prior to Cantera 3.0).
+     * third-body concentrations, consistent with Cantera's behavior prior to version 3.0.
      */
     void use_legacy_rate_constants(bool legacy=true) {
         m_use_legacy_rate_constants = legacy;

src/kinetics/Kinetics.cpp

@@ -356,8 +356,7 @@ std::string Kinetics::reactionType(size_t i) const {
 }
 
 std::string Kinetics::reactionTypeStr(size_t i) const {
-    warn_deprecated("Kinetics::reactionTypeStr",
-        "To be removed after Cantera 3.0.");
+    warn_deprecated("Kinetics::reactionTypeStr", "To be removed after Cantera 3.0.");
     return reactionType(i);
 }
 
@@ -713,6 +712,12 @@ void Kinetics::modifyReaction(size_t i, shared_ptr<Reaction> rNew)
             rOld->type(), rNew->type());
     }
 
+    if (rNew->rate()->type() != rOld->rate()->type()) {
+        throw CanteraError("Kinetics::modifyReaction",
+            "ReactionRate types are different: {} != {}.",
+            rOld->rate()->type(), rNew->rate()->type());
+    }
+
     if (rNew->reactants != rOld->reactants) {
         throw CanteraError("Kinetics::modifyReaction",
             "Reactants are different: '{}' != '{}'.",

test/kinetics/kineticsFromYaml.cpp

@@ -185,7 +185,7 @@ TEST(Reaction, PlogFromYaml)
 
     auto R = newReaction(rxn, *(sol->kinetics()));
     const auto& rateMap = std::dynamic_pointer_cast<PlogRate>(R->rate())->getRates();
-    std::vector<std::pair<double, Arrhenius>> rates(rateMap.begin(), rateMap.end());
+    std::vector<std::pair<double, ArrheniusRate>> rates(rateMap.begin(), rateMap.end());
     EXPECT_EQ(rates.size(), (size_t) 4);
     EXPECT_NEAR(rates[0].first, 0.039474 * OneAtm, 1e-6);
     EXPECT_NEAR(rates[2].first, OneAtm, 1e-6);