diff --git a/Cantera/matlab/cantera/private/ctmethods.cpp b/Cantera/matlab/cantera/private/ctmethods.cpp index 2c4db918c..f21e68981 100644 --- a/Cantera/matlab/cantera/private/ctmethods.cpp +++ b/Cantera/matlab/cantera/private/ctmethods.cpp @@ -13,11 +13,6 @@ #include "mex.h" #include "ctmatutils.h" #include "mllogger.h" -//#include "../../../src/global.h" - -namespace Cantera { - void setMatlabMode(bool m); -} const int NO_CLASS = 0; const int XML_CLASS = 10; diff --git a/Cantera/python/Cantera/Kinetics.py b/Cantera/python/Cantera/Kinetics.py index 905deb812..905b68fa6 100755 --- a/Cantera/python/Cantera/Kinetics.py +++ b/Cantera/python/Cantera/Kinetics.py @@ -8,7 +8,6 @@ from Cantera.XML import XML_Node from Cantera.num import zeros import _cantera - class Kinetics: """ Kinetics managers. Instances of class Kinetics are responsible for @@ -141,7 +140,7 @@ class Kinetics: if nur <> 0.0: if nur <> 1.0: if nur <> round(nur): - s += `nur`+' ' + s += str(nur)+' ' else: s += `int(nur)`+' ' s += self._sp[k]+' + ' @@ -155,7 +154,7 @@ class Kinetics: if nup <> 0.0: if nup <> 1.0: if nup <> round(nup): - s += `nup`+' ' + s += str(nup)+' ' else: s += `int(nup)`+' ' s += self._sp[k]+' + ' diff --git a/Cantera/src/ct_defs.h b/Cantera/src/ct_defs.h index 16c37c00c..7ff5313b8 100755 --- a/Cantera/src/ct_defs.h +++ b/Cantera/src/ct_defs.h @@ -47,38 +47,65 @@ using namespace ct; */ namespace Cantera { - //#define CANTERA_VERSION 1.6 + const doublereal Pi = 3.1415926; + const doublereal SqrtPi = sqrt(Pi); // use kg-moles, rather than g-moles. - + // Note: this constant is a relic of old versions, + // and appears to be no longer used anywhere. const doublereal CtMoles_per_mole = 1.e-3; // kmol + + /// @name Physical Constants + //@{ + /// Avogadro's Number const doublereal Avogadro = 6.022136736e26; //const doublereal GasConstant = 8314.0; /// Universal Gas Constant. 1999 CODATA value. - const doublereal GasConstant = 8314.47215; + const doublereal GasConstant = 8314.47215; // J/kmol/K const doublereal logGasConstant = 9.025752908; /// One atmosphere const doublereal OneAtm = 1.01325e5; // Pa + /// Universal gas constant in cal/mol/K const doublereal GasConst_cal_mol_K = 1.987; + /// Boltzmann's constant const doublereal Boltzmann = GasConstant / Avogadro; + /// Planck's constant - const doublereal Planck = 6.6262e-34; // J-s + const doublereal Planck = 6.626068e-34; // J-s + const doublereal Planck_bar = 1.05457148e-34; // m2-kg/s + /// log(k/h) const doublereal logBoltz_Planck = 23.7599032; // ln(k_B/h) /// Stefan-Boltzmann constant const doublereal StefanBoltz = 5.67e-8; - const doublereal ElectronCharge = 1.602e-19; + + /// @name Electron Properties + //@{ + const doublereal ElectronCharge = 1.602e-19; // C + const doublereal ElectronMass = 9.10938188e-31; // kg const doublereal Faraday = ElectronCharge * Avogadro; - const doublereal epsilon_0 = 8.85e-12; // farads / m - const doublereal Pi = 3.1415926; - const doublereal SqrtPi = sqrt(Pi); + //@} + + /// @name Electromagnetism + /// Cantera uses the MKS unit system. + //@{ + + /// Permittivity of free space \f$ \epsilon_0 \f$ in F/m. + const doublereal epsilon_0 = 8.8542e-12; // Farads/m = C^2/N/m^2 + + /// Permeability of free space \f$ \mu_0 \f$ in N/A^2. + const doublereal permeability_0 = 4.0e-7*Pi; // N/A^2 + + //@} + + //@} const doublereal OneThird = 1.0/3.0; const doublereal FiveSixteenths = 5.0/16.0; diff --git a/test_problems/ck2cti_test/runtest.in b/test_problems/ck2cti_test/runtest.in index 30003c912..baf2b2dc2 100755 --- a/test_problems/ck2cti_test/runtest.in +++ b/test_problems/ck2cti_test/runtest.in @@ -8,7 +8,7 @@ echo "***************************************************" echo " " BINDIR=@buildbin@ CK2CTI=$BINDIR/ck2cti -echo "Test 1: Converting file gri30.inp..." +echo "...Test 1: Converting file gri30.inp..." $CK2CTI -i ./gri30.inp -id gri30 -tr ./gri30_tran.dat # # strip out variably dated stuff @@ -28,12 +28,18 @@ retnStat=$? # if [ $retnStat = "0" ] then - echo "successful diff comparison on ck2cti test (gri30.inp)" + echo "Successful diff comparison on ck2cti test (gri30.inp)" else - echo "unsuccessful diff comparison on ck2cti test (gri30.inp)" + echo "########################################################" + echo "Unsuccessful diff comparison on ck2cti test (gri30.inp)" + echo " For more information, see files:" + echo " test_problems/ck2cti_test/diff_test.out" + echo " test_problems/ck2cti_test/gri30b.cti" + echo " test_problems/ck2cti_test/gri30a_blessed.cti" + echo "########################################################" fi echo -echo "Test 2: Converting file soot.inp..." +echo "...Test 2: Converting file soot.inp..." echo " This tests handling of extensions to the Chemkin input file format" echo " to handle very large molecules and non-integral stoichiometric" echo " coefficients..." @@ -59,7 +65,13 @@ if [ $retnStat = "0" ] then echo "successful diff comparison on ck2cti test (soot.inp)" else - echo "unsuccessful diff comparison on ck2cti test (soot.inp)" + echo "########################################################" + echo "Unsuccessful diff comparison on ck2cti test (soot.inp)" + echo " For more information, see files:" + echo " test_problems/ck2cti_test/diff_soot.out" + echo " test_problems/ck2cti_test/sootb.cti" + echo " test_problems/ck2cti_test/soot_blessed.cti" + echo "########################################################" fi echo diff --git a/test_problems/cxx_ex/runtest b/test_problems/cxx_ex/runtest index 8963e4f5d..aaa5c41bf 100755 --- a/test_problems/cxx_ex/runtest +++ b/test_problems/cxx_ex/runtest @@ -40,7 +40,13 @@ if [ $retnStat = "1" ] then echo "successful csv comparison on eq1 test" else + echo "########################################################" echo "unsuccessful csv comparison on eq1 test" + echo " For more information, see files:" + echo " test_problems/cxx_ex/eq1_test.out" + echo " test_problems/cxx_ex/eq1.csv" + echo " test_problems/cxx_ex/eq1_blessed.csv" + echo "########################################################" echo "FAILED" > csvCode.txt temp_success="0" fi @@ -59,7 +65,13 @@ then echo "PASSED" > csvCode.txt fi else + echo "########################################################" echo "unsuccessful csv comparison on tr1 test" + echo " For more information, see files:" + echo " test_problems/cxx_ex/tr1_test.out" + echo " test_problems/cxx_ex/tr1.csv" + echo " test_problems/cxx_ex/tr1_blessed.csv" + echo "########################################################" echo "FAILED" > csvCode.txt temp_success="0" fi @@ -78,7 +90,13 @@ then echo "PASSED" > csvCode.txt fi else + echo "########################################################" echo "unsuccessful csv comparison on tr2 test" + echo " For more information, see files:" + echo " test_problems/cxx_ex/tr2_test.out" + echo " test_problems/cxx_ex/tr2.csv" + echo " test_problems/cxx_ex/tr2_blessed.csv" + echo "########################################################" echo "FAILED" > csvCode.txt temp_success="0" fi @@ -106,7 +124,13 @@ then echo "PASSED" > csvCode.txt fi else + echo "########################################################" echo "unsuccessful csv comparison on kin1 test" + echo " For more information, see files:" + echo " test_problems/cxx_ex/kin1_test.out" + echo " test_problems/cxx_ex/kin1.csv" + echo " test_problems/cxx_ex/kin1_blessed_tmp.csv" + echo "########################################################" echo "FAILED" > csvCode.txt temp_success="0" fi @@ -134,7 +158,13 @@ then echo "PASSED" > csvCode.txt fi else + echo "########################################################" echo "unsuccessful csv comparison on kin2 test" + echo " For more information, see files:" + echo " test_problems/cxx_ex/kin2_test.out" + echo " test_problems/cxx_ex/kin2.csv" + echo " test_problems/cxx_ex/kin2_blessed_tmp.csv" + echo "########################################################" echo "FAILED" > csvCode.txt temp_success="0" fi diff --git a/test_problems/diamondSurf/runDiamond.cpp b/test_problems/diamondSurf/runDiamond.cpp index ca3eec9a5..70b71d2e3 100644 --- a/test_problems/diamondSurf/runDiamond.cpp +++ b/test_problems/diamondSurf/runDiamond.cpp @@ -1,14 +1,15 @@ /** - * @file example2.cpp + * @file runDiamond.cpp * */ // Example // -// Read a mechanism and a thermodynamics file for the -// class IdealSolidSolnPhase in order to test that it's -// working correctly -// +// Note that this example needs updating. It works fine, but is +// written in a way that is less than transparent or +// user-friendly. This could be rewritten using class Interface to +// make things simpler. + #include #include diff --git a/test_problems/silane_equil/runtest b/test_problems/silane_equil/runtest index 0803dabfc..adb5f75ff 100755 --- a/test_problems/silane_equil/runtest +++ b/test_problems/silane_equil/runtest @@ -1,7 +1,6 @@ #!/bin/sh # # - temp_success="1" /bin/rm -f output.txt outputa.txt