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This commit is contained in:
Dave Goodwin 2005-09-13 17:10:43 +00:00
parent 7718361c94
commit a6b65715d7
7 changed files with 90 additions and 27 deletions
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5
Cantera/matlab/cantera/private/ctmethods.cpp
View file

@ -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;

5
Cantera/python/Cantera/Kinetics.py
View file

@ -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]+' + '

43
Cantera/src/ct_defs.h
View file

@ -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;

22
test_problems/ck2cti_test/runtest.in
View file

@ -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

30
test_problems/cxx_ex/runtest
View file

@ -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

11
test_problems/diamondSurf/runDiamond.cpp
View file

@ -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 <iostream>
#include <string>

1
test_problems/silane_equil/runtest
View file

@ -1,7 +1,6 @@
#!/bin/sh
#
#
temp_success="1"
/bin/rm -f output.txt outputa.txt