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adding statmech test problems

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This commit is contained in:
Nicholas Malaya 2012-07-17 21:54:06 +00:00
parent 2d2c16ec38
commit f42d292ec2
6 changed files with 29 additions and 43 deletions
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4
test_problems/Makefile.am
View file

@ -1,10 +1,10 @@
SUBDIRS = cathermo mixGasTransport ChemEquil_gri_matrix ChemEquil_gri_pairs
SUBDIRS = statmech cathermo mixGasTransport ChemEquil_gri_matrix ChemEquil_gri_pairs
SUBDIRS += ChemEquil_ionizedGas ChemEquil_red1 CpJump cxx_ex diamondSurf
SUBDIRS += diamondSurf_dupl fracCoeff multiGasTransport NASA9poly_test
SUBDIRS += negATest printUtilUnitTest pureFluidTest silane_equil
SUBDIRS += spectroscopy surfkin surfSolverTest VPsilane_test
SUBDIRS += VCSnonideal PecosTransport statmech
SUBDIRS += VCSnonideal PecosTransport
#f77test

8
test_problems/statmech/Makefile.am
View file

@ -1,10 +1,10 @@
INC = -I. -I$(top_builddir)/build/include/ -g
INC = -I. -I$(top_builddir)/include/
AM_CPPFLAGS = $(INC)
AM_CXXFLAGS = $(AM_CPPFLAGS)
LINK = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo
LINK = -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo
LINK += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode
LINK += -lctlapack -lctblas -lctf2c -lm -lstdc++
LINK += -lctlapack -lctblas -lctf2c -lm -lctf2c -lstdc++ -lexecstream -pthread
AM_LDFLAGS = -L$(top_builddir)/build/lib/
LIBS = $(LINK)
@ -24,7 +24,7 @@ statmech_test_Fe_SOURCES = statmech_test_Fe.cpp
TESTS_ENVIRONMENT =
TESTS = statmech_test \
statmech_test_poly \
statmech_test_Fe
# statmech_test_poly
EXTRA_DIST = runtest_stat

23
test_problems/statmech/statmech_test.cpp
View file

@ -14,20 +14,19 @@
#include <string>
#include <iomanip>
/*****************************************************************/
/*****************************************************************/
#include "cantera/Cantera.h"
#include "cantera/transport.h"
#include "cantera/IdealGasMix.h"
#include "cantera/equil/equil.h"
#include "cantera/transport/TransportFactory.h"
using namespace std;
/*****************************************************************/
/*****************************************************************/
#include "Cantera.h"
#include "transport.h"
#include "IdealGasMix.h"
#include "equil.h"
#include "TransportFactory.h"
using namespace Cantera;
using namespace Cantera_CXX;
//using namespace Cantera_CXX;
int main(int argc, char** argv)
{

11
test_problems/statmech/statmech_test_Fe.cpp
View file

@ -19,15 +19,14 @@ using namespace std;
/*****************************************************************/
/*****************************************************************/
#include "Cantera.h"
#include "transport.h"
#include "IdealGasMix.h"
#include "equil.h"
#include "cantera/Cantera.h"
#include "cantera/transport.h"
#include "cantera/IdealGasMix.h"
#include "cantera/equil/equil.h"
#include "TransportFactory.h"
#include "cantera/transport/TransportFactory.h"
using namespace Cantera;
using namespace Cantera_CXX;
int main(int argc, char** argv)
{

22
test_problems/statmech/statmech_test_poly.cpp
View file

@ -19,15 +19,14 @@ using namespace std;
/*****************************************************************/
/*****************************************************************/
#include "Cantera.h"
#include "transport.h"
#include "IdealGasMix.h"
#include "equil.h"
#include "cantera/Cantera.h"
#include "cantera/transport.h"
#include "cantera/IdealGasMix.h"
#include "cantera/equil/equil.h"
#include "TransportFactory.h"
#include "cantera/transport/TransportFactory.h"
using namespace Cantera;
using namespace Cantera_CXX;
int main(int argc, char** argv)
{
@ -49,17 +48,6 @@ int main(int argc, char** argv)
vector_fp cp_R(nsp, 0.0);
g.getCp_R(DATA_PTR(cp_R));
for(int i=0;i<nsp;i++)
{
std::cout << cp_R[i] << std::endl;
}
// error check
if(cp_R[0] != 0)
{
std::cout << "Error for monotomic Species!\n";
return 1;
}
}
catch (CanteraError)
{

4
test_problems/statmech/test_stat_err.xml
View file

@ -33,11 +33,11 @@
<species name="O">
<atomArray> O:1 </atomArray>
<thermo>
<NASA9 P0="100000.0" Tmax="1000.0" Tmin="0.1">
<StatMech P0="100000.0" Tmax="1000.0" Tmin="0.1">
<floatArray name="coeffs" size="7">
2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
-7.376117610E-12, -9.179351730E+02, 6.830102380E-01</floatArray>
</NASA9>
</StatMech>
</thermo>
<density units="g/cm3">2.165</density>
</species>