Switch from arrays to vectors, update regression test tolerances

samples/cxx/custom/custom.cpp

@@ -33,6 +33,12 @@ class ReactorODEs : public FuncEval {
         // number of chemical species in the system.
         nSpecies = gas->nSpecies();
 
+        // resize the vector_fp storage containers for species partial molar enthalpies
+        // and net production rates. internal values are updated and used by the solver
+        // per iteration.
+        hbar.resize(nSpecies);
+        wdot.resize(nSpecies);
+
         // number of equations in the ODE system. a conservation equation for each
         // species, plus a single energy conservation equation for the system.
         nEqs = nSpecies + 1;
@@ -67,10 +73,8 @@ class ReactorODEs : public FuncEval {
         /* ----------------------- GET REQ'D PROPERTIES ----------------------- */
         double rho = gas->density();
         double cp = gas->cp_mass();
-        double hbar[nSpecies];
-        gas->getPartialMolarEnthalpies(hbar);
-        double wdot[nSpecies];
-        kinetics->getNetProductionRates(wdot);
+        gas->getPartialMolarEnthalpies(&hbar[0]);
+        kinetics->getNetProductionRates(&wdot[0]);
 
         /* -------------------------- ENERGY EQUATION ------------------------- */
         // the rate of change of the system temperature is found using the energy
@@ -117,6 +121,8 @@ class ReactorODEs : public FuncEval {
     // private member variables, to be used internally.
     shared_ptr<ThermoPhase> gas;
     shared_ptr<Kinetics> kinetics;
+    vector_fp hbar;
+    vector_fp wdot;
     double pressure;
     int nSpecies;
     int nEqs;

test_problems/SConscript

@@ -232,7 +232,8 @@ Test('cxx-combustor', 'cxx_samples', '#build/samples/cxx/combustor/combustor', N
      comparisons=[('combustor_cxx_blessed.csv', 'combustor_cxx.csv')],
      threshold=1e-10, tolerance=2e-4)
 Test('cxx-custom', 'cxx_samples', '#build/samples/cxx/custom/custom', None,
-     comparisons=[('custom_cxx_blessed.csv', 'custom_cxx.csv')])
+     comparisons=[('custom_cxx_blessed.csv', 'custom_cxx.csv')],
+     threshold=1e-10, tolerance=2e-4)
 Test('cxx-flamespeed', 'cxx_samples', '#build/samples/cxx/flamespeed/flamespeed',
      'cxx_flamespeed_blessed.txt',
      comparisons=[('flamespeed_blessed.csv', 'flamespeed.csv')],