added more tests

Author: rrsettgast

cmake/Macros.cmake

@@ -51,14 +51,14 @@ macro(hpcReact_add_code_checks)
 
     if( CPPCHECK_FOUND )
         add_test( NAME testCppCheck
-                COMMAND bash -c "make cppcheck_check 2> >(tee cppcheck.err) >/dev/null && exit $(cat cppcheck.err | wc -l)"
+                COMMAND bash -c "${CMAKE_MAKE_PROGRAM} cppcheck_check 2> >(tee cppcheck.err) >/dev/null && exit $(cat cppcheck.err | wc -l)"
                 WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
                 )
     endif()
 
     if( CLANGTIDY_FOUND )
         add_test( NAME testClangTidy
-                COMMAND bash -c "make clang_tidy_check 2> >(tee tidyCheck.err) >/dev/null && exit $(cat tidyCheck.err | wc -l)"
+                COMMAND bash -c "${CMAKE_MAKE_PROGRAM} clang_tidy_check 2> >(tee tidyCheck.err) >/dev/null && exit $(cat tidyCheck.err | wc -l)"
                 WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
                 )
     endif()

src/reactions/bulkGeneric/unitTests/testEquilibriumReactions.cpp

@@ -246,17 +246,7 @@ TEST( testEquilibriumReactions, testCarbonateSystem2 )
     log( initialPrimarySpeciesConcentration[6] )
   };
 
-  double logPrimarySpeciesConcentration[numPrimarySpecies] =
-  {
-    logInitialPrimarySpeciesConcentration[0],
-    logInitialPrimarySpeciesConcentration[1],
-    logInitialPrimarySpeciesConcentration[2],
-    logInitialPrimarySpeciesConcentration[3],
-    logInitialPrimarySpeciesConcentration[4],
-    logInitialPrimarySpeciesConcentration[5],
-    logInitialPrimarySpeciesConcentration[6]
-  };
-
+  double logPrimarySpeciesConcentration[numPrimarySpecies];
   EquilibriumReactionsType::enforceEquilibrium_Aggregate( 0,
                                                           carbonateSystem,
                                                           logInitialPrimarySpeciesConcentration,
@@ -270,7 +260,7 @@ TEST( testEquilibriumReactions, testCarbonateSystem2 )
     2.491372274738741e-03, // SO4-2
     1.858609094598949e+00, // Cl-
     9.881874292035110e-03, // Mg+2
-    1.072307827865370e+00 // Na+1
+    1.072307827865370e+00  // Na+1
   };
 
   for( int r=0; r<numPrimarySpecies; ++r )

src/reactions/bulkGeneric/unitTests/testKineticReactions.cpp

@@ -129,27 +129,26 @@ TEST( testKineticReactions, computeReactionRatesTest_carbonateSystem )
     3.76e-1, // HCO3-
     3.87e-2, // Ca+2
     3.21e-2, // SO4-2
-    1.89, // Cl-
+    1.89,    // Cl-
     1.65e-2, // Mg+2
-    1.09 // Na+1
+    1.09     // Na+1
   };
 
-  double const expectedReactionRates[11] = { -9.9632648e-01, -1.41376e-01, -3.7599919536e-01, -1.41376e-01, -1.45512e-02, -1.455119956008e-02, -1.24227e-03, -7.3143e-02, -1.3824027e-01,
-                                             -5.2965000e-04, -3.4989e-02 };
+  double const expectedReactionRates[11] = { -0.001424736,-12610.7392,-0.175591624,-473.6096,-269197.19999999984,-0.00012441275624000003,-18012.914999999986,-1.56526019999999e6,-346983.07769999903,-14247.58499999999,-2.316271799999999e6 };
   double const expectedReactionRatesDerivatives[11][18] =
   {
-    {  3.67352e+13, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.77e-03, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 },
-    {          0.0, 4.37e-07, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -3.76e-01, -3.76e-01, 0.0, 0.0, 0.0, 0.0, 0.0 },
-    {          0.0, 0.0, 8.0464e+09, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.14e-06, -1.00e+00, 0.0, 0.0, 0.0, 0.0, 0.0 },
-    {          0.0, 0.0, 0.0, 1.70e-04, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -3.76e-01, -3.76e-01, 0.0, 0.0, 0.0, 0.0, 0.0 },
-    {          0.0, 0.0, 0.0, 0.0, 8.13e-02, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -3.87e-02, -3.76e-01, 0.0, 0.0, 0.0, 0.0 },
-    {          0.0, 0.0, 0.0, 0.0, 0.0, 4.3992e+06, 0.0, 0.0, 0.0, 0.0, 0.0, 1.17e-09, -3.87e-02, -3.76e-01, 0.0, 0.0, 0.0, 0.0 },
-    {          0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.92e-03, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -3.21e-02, -3.87e-02, 0.0, 0.0, 0.0 },
-    {          0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.68e+00, 0.0, 0.0, 0.0, 0.0, 0.0, -1.89e+00, 0.0, -3.87e-02, 0.0, 0.0 },
-    {          0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.98e+00, 0.0, 0.0, 0.0, 0.0, -3.5721e+00, 0.0, -1.46286e-01, 0.0, 0.0 },
-    {          0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.72e-03, 0.0, 0.0, 0.0, 0.0, -1.65e-02, 0.0, -3.21e-02, 0.0 },
-    {          0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.51e-01, 0.0, 0.0, 0.0, -1.09e+00, 0.0, 0.0, -3.21e-02 }
-  };
+    { 5.264e10,0,0,0,0,0,0,0,0,0,0,0.000014,0,0,0,0,0,0 },
+    { 0,0.039,0,0,0,0,0,0,0,0,0,-33539.2,-33539.2,0,0,0,0,0 },
+    { 0,0,3.76e9,0,0,0,0,0,0,0,0,1.e-6,-0.467,0,0,0,0,0 },
+    { 0,0,0,0.57,0,0,0,0,0,0,0,-1259.6,-1259.6,0,0,0,0,0 },
+    { 0,0,0,0,1.5e6,0,0,0,0,0,0,0,-715950.,-6.956e6,0,0,0,0 },
+    { 0,0,0,0,0,37600.,0,0,0,0,0,1.e-11,-0.000330885,-0.0032148000000000003,0,0,0,0 },
+    { 0,0,0,0,0,0,100000.,0,0,0,0,0,0,-465449.99999999994,-561150.,0,0,0 },
+    { 0,0,0,0,0,0,0,1.e8,0,0,0,0,0,-4.0446e7,0,-828180.,0,0 },
+    { 0,0,0,0,0,0,0,0,1.e7,0,0,0,0,-8.965971e6,0,-367177.86,0,0 },
+    { 0,0,0,0,0,0,0,0,0,100000.,0,0,0,0,-443850.,0,-863489.9999999999,0 },
+    { 0,0,0,0,0,0,0,0,0,0,1.e7,0,0,0,-7.2158e7,0,0,-2.12502e6 } 
+  } ;
 
   computeReactionRatesTest< double, false >( carbonateSystem,
                                              initialSpeciesConcentration,