[Doc] Add C++ example showing initializaton of Kinetics and Transport

doc/sphinx/cxx-guide/demo1b.cpp

@@ -0,0 +1,66 @@
+#include "cantera/thermo/ThermoFactory.h"
+#include "cantera/kinetics/KineticsFactory.h"
+#include "cantera/transport/TransportFactory.h"
+
+using namespace Cantera;
+
+// The actual code is put into a function that can be called from the main
+// program.
+void simple_demo2()
+{
+    // Create a new phase
+    std::unique_ptr<ThermoPhase> gas(newPhase("gri30.cti", "gri30_mix"));
+
+    // List of phases participating in reactions (just one for homogeneous
+    // kinetics)
+    std::vector<ThermoPhase*> phases{gas.get()};
+
+    // Create the Kinetics object. Based on the phase definition used, this will
+    // be a GasKinetics object.
+    std::unique_ptr<Kinetics> kin(newKineticsMgr(gas->xml(), phases));
+
+    // Set an "interesting" mixture state where we will observe non-zero reacton
+    // rates.
+    gas->setState_TPX(500.0, 2.0*OneAtm, "CH4:1.0, O2:1.0, N2:3.76");
+    gas->equilibrate("HP");
+    gas->setState_TP(gas->temperature() - 100, gas->pressure());
+
+    // Get the net reaction rates
+    vector_fp wdot(kin->nReactions());
+    kin->getNetRatesOfProgress(wdot.data());
+
+    writelog("Net reaction rates for reactions involving CO2\n");
+    size_t kCO2 = gas->speciesIndex("CO2");
+    for (size_t i = 0; i < kin->nReactions(); i++) {
+        if (kin->reactantStoichCoeff(kCO2, i)
+            || kin->productStoichCoeff(kCO2, i)) {
+            writelog("{:3d}  {:30s}  {: .8e}\n",
+                i, kin->reactionString(i), wdot[i]);
+        }
+    }
+    writelog("\n");
+
+    // Create a Transport object. Based on the transport model specified in the
+    // "gri30_mix" phase, this will be a MixGasTransport object.
+    std::unique_ptr<Transport> trans(newDefaultTransportMgr(gas.get()));
+    writelog("T        viscosity     thermal conductivity\n");
+    writelog("------   -----------   --------------------\n");
+    for (size_t n = 0; n < 5; n++) {
+        double T = 300 + 100 * n;
+        gas->setState_TP(T, gas->pressure());
+        writelog("{:.1f}    {:.4e}    {:.4e}\n",
+            T, trans->viscosity(), trans->thermalConductivity());
+    }
+}
+
+// the main program just calls function simple_demo2 within a 'try' block, and
+// catches exceptions that might be thrown
+int main()
+{
+    try {
+        simple_demo2();
+    } catch (std::exception& err) {
+        std::cout << err.what() << std::endl;
+    }
+}
+

doc/sphinx/cxx-guide/factories.rst

@@ -0,0 +1,47 @@
+Creating ThermoPhase, Kinetics, and Transport objects
+=====================================================
+
+The following program demonstrates the general method for creating the following
+object types:
+
+- `ThermoPhase` - represents the thermodynamic properties of mixtures containing
+  one or more species)
+- `Kinetics` - represents a kinetic mechanism involving one or more phases)
+- `Transport` - computes transport properties for a `ThermoPhase`
+
+This program uses "factory" functions to create derived objects objects of the
+appropriate type which are specified in the input file `gri30.cti`.
+
+.. literalinclude:: demo1b.cpp
+   :language: c++
+
+This program produces the output below::
+
+    Net reaction rates for reactions involving CO2
+     11  CO + O (+M) <=> CO2 (+M)         3.54150724e-08
+     13  HCO + O <=> CO2 + H              1.95680014e-11
+     29  CH2CO + O <=> CH2 + CO2          3.45366988e-17
+     30  CO + O2 <=> CO2 + O              2.70102522e-13
+     41  CO2 + 2 H <=> CO2 + H2           3.45305359e-08
+     98  CO + OH <=> CO2 + H              6.46935907e-03
+    119  CO + HO2 <=> CO2 + OH            1.86807529e-10
+    131  CH + CO2 <=> CO + HCO            9.41365695e-14
+    151  CH2(S) + CO2 <=> CH2 + CO2       3.11161382e-12
+    152  CH2(S) + CO2 <=> CH2O + CO       2.85339329e-11
+    225  NCO + O2 <=> CO2 + NO            3.74127282e-19
+    228  NCO + NO <=> CO2 + N2            6.25672779e-14
+    261  HNCO + O <=> CO2 + NH            6.84524890e-13
+    267  HNCO + OH <=> CO2 + NH2          7.78871264e-10
+    279  CO2 + NH <=> CO + HNO           -3.30333658e-09
+    281  NCO + NO2 <=> CO2 + N2O          2.14286686e-20
+    282  CO2 + N <=> CO + NO              6.42658283e-10
+    289  CH2 + O2 => CO2 + 2 H            1.51032319e-18
+    304  CH2CHO + O => CH2 + CO2 + H      1.00331734e-19
+
+    T        viscosity     thermal conductivity
+    ------   -----------   --------------------
+    300.0    1.6658e-05    4.2089e-02
+    400.0    2.0861e-05    5.2537e-02
+    500.0    2.4681e-05    6.2451e-02
+    600.0    2.8218e-05    7.2157e-02
+    700.0    3.1534e-05    8.1754e-02

doc/sphinx/cxx-guide/index.rst

@@ -11,3 +11,4 @@ C++ Interface User's Guide
    thermo
    simple-example
    equil-example
+   factories