Added new test for ionized species.
This commit is contained in:
Harry Moffat
parent
857af1e25b
commit
847b8ee8b7
7 changed files with 2006 additions and 0 deletions
7
test_problems/ChemEquil_ionizedGas/.cvsignore
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7
test_problems/ChemEquil_ionizedGas/.cvsignore
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@ -0,0 +1,7 @@
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ionizedGasEquil
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Makefile
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desc.txt
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output.txt
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csvCode.txt
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ct2ctml.log
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diff_test.out
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110
test_problems/ChemEquil_ionizedGas/Makefile.in
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110
test_problems/ChemEquil_ionizedGas/Makefile.in
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@ -0,0 +1,110 @@
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#!/bin/sh
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############################################################################
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#
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# Makefile to compile and link a C++ application to
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# Cantera.
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#
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#############################################################################
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# addition to suffixes
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.SUFFIXES : .d
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# the name of the executable program to be created
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PROG_NAME = ionizedGasEquil
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# the object files to be linked together. List those generated from Fortran
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# and from C/C++ separately
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OBJS = ionizedGasEquil.o
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# Location of the current build. Will assume that tests are run
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# in the source directory tree location
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src_dir_tree = 0
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# additional flags to be passed to the linker. If your program
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# requires other external libraries, put them here
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LINK_OPTIONS = @EXTRA_LINK@
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#############################################################################
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# Check to see whether we are in the msvc++ environment
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os_is_win = @OS_IS_WIN@
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# Fortran libraries
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FORT_LIBS = @FLIBS@
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# the C++ compiler
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CXX = @CXX@
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# C++ compile flags
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ifeq ($(src_dir_tree), 1)
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CXX_FLAGS = -DSRCDIRTREE @CXXFLAGS@
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else
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CXX_FLAGS = @CXXFLAGS@
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endif
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# Ending C++ linking libraries
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LCXX_END_LIBS = @LCXX_END_LIBS@
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# the directory where the Cantera libraries are located
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CANTERA_LIBDIR=@buildlib@
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# required Cantera libraries
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CANTERA_LIBS = @LOCAL_LIBS@ -lctcxx
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# the directory where Cantera include files may be found.
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ifeq ($(src_dir_tree), 1)
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CANTERA_INCDIR=../../Cantera/src
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else
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CANTERA_INCDIR=@ctroot@/build/include/cantera
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endif
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# flags passed to the C++ compiler/linker for the linking step
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LCXX_FLAGS = -L$(CANTERA_LIBDIR) @LOCAL_LIB_DIRS@ @CXXFLAGS@
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# How to compile C++ source files to object files
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.@CXX_EXT@.@OBJ_EXT@:
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$(CXX) -c $< -I$(CANTERA_INCDIR) $(CXX_FLAGS)
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# How to compile the dependency file
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.cpp.d:
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@CXX_DEPENDS@ -I$(CANTERA_INCDIR) $(CXX_FLAGS) $*.cpp > $*.d
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# List of dependency files to be created
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DEPENDS=$(OBJS:.o=.d)
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# Program Name
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PROGRAM = $(PROG_NAME)$(EXE_EXT)
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all: $(PROGRAM)
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$(PROGRAM): $(OBJS) $(CANTERA_LIBDIR)/libcantera.a
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$(CXX) -o $(PROGRAM) $(OBJS) $(LCXX_FLAGS) $(LINK_OPTIONS) \
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$(CANTERA_LIBS) @LIBS@ $(FORT_LIBS) \
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$(LCXX_END_LIBS)
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# depends target -> forces recalculation of dependencies
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depends:
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$(RM) *.d .depends
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@MAKE@ .depends
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.depends: $(DEPENDS)
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cat *.d > .depends
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# Do the test -> For the windows vc++ environment, we have to skip checking on
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# whether the program is uptodate, because we don't utilize make
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# in that environment to build programs.
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test:
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ifeq ($(os_is_win), 1)
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else
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@ @MAKE@ -s $(PROGRAM)
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endif
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@ ./runtest
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clean:
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$(RM) $(OBJS) $(PROGRAM) $(DEPENDS) .depends
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../../bin/rm_cvsignore
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(if test -d SunWS_cache ; then \
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$(RM) -rf SunWS_cache ; \
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fi )
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165
test_problems/ChemEquil_ionizedGas/air_below6000K.cti
Executable file
165
test_problems/ChemEquil_ionizedGas/air_below6000K.cti
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#
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# This is the NASA thermodynamic database, which is available for download
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# from http://www.galcit.caltech.edu/EDL/public/thermo.html. The original
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# sources are
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#
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# S. Gordon and B.J. McBride, "Computer Program for Calculation of Complex
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# Chemical Equilibrium Composition, Rocket Performance, Incident and
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# Reflected Shocks and Chapman-Jouguet Detonations", NASA Report SP-273, 1971.
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#
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# B.J. McBride, S. Gordon, and M.A. Reno, "Coefficients for Calculating
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# Thermodynamic and Transport Properties of Individual Species", NASA
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# Report TM-4513, October 1993.
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#
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#-----------------------------------------------------------------------------
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ideal_gas(name = "air_below6000K",
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elements = " N O E ",
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species = """ N2 O2 N O NO NO+ Electron N+ O+ N2+ O2+ """,
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reactions = "all",
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initial_state = state(temperature = 298.15,
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pressure = OneAtm,
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mole_fractions = 'N2:0.78847, O2:0.21153') )
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species(name = "Electron",
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atoms = " E:1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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-7.453750000E+02, -1.172469020E+01] ),
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NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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-7.453750000E+02, -1.172469020E+01] )
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),
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note = "gas L10/92"
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)
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species(name = "N",
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atoms = " N:1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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5.610463780E+04, 4.193909320E+00] ),
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NASA( [ 1000.00, 6000.00], [ 2.415942930E+00, 1.748906000E-04,
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-1.190236670E-07, 3.022623870E-11, -2.036097900E-15,
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5.613377480E+04, 4.649609860E+00] )
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),
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note = "L 6/88"
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)
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species(name = "N+",
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atoms = " N:1 E:-1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 2.802694450E+00, -1.447589110E-03,
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2.771183800E-06, -2.401873520E-09, 7.808399310E-13,
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2.255752440E+05, 3.578778350E+00] ),
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NASA( [ 1000.00, 6000.00], [ 2.511129670E+00, 3.464417510E-06,
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-1.594269380E-08, 7.248656630E-12, -6.445014260E-16,
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2.256243400E+05, 4.927676610E+00] )
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),
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note = "L 7/88"
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)
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species(name = "NO",
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atoms = " N:1 O:1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 4.218598960E+00, -4.639881240E-03,
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1.104430490E-05, -9.340555070E-09, 2.805548740E-12,
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9.845099640E+03, 2.280610010E+00] ),
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NASA( [ 1000.00, 6000.00], [ 3.260712340E+00, 1.191011350E-03,
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-4.291226460E-07, 6.944814630E-11, -4.032956810E-15,
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9.921431320E+03, 6.369005180E+00] )
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),
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note = "TPIS89"
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)
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species(name = "NO+",
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atoms = " N:1 O:1 E:-1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 3.693012310E+00, -1.342291580E-03,
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2.673433950E-06, -1.026093080E-09, -6.956104920E-14,
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1.181030550E+05, 3.091266980E+00] ),
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NASA( [ 1000.00, 6000.00], [ 2.945877020E+00, 1.403252600E-03,
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-4.955031960E-07, 7.959489730E-11, -4.720766680E-15,
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1.182443400E+05, 6.706446410E+00] )
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),
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note = "TPIS89"
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)
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species(name = "N2",
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atoms = " N:2 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 3.531005280E+00, -1.236609870E-04,
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-5.029994370E-07, 2.435306120E-09, -1.408812350E-12,
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-1.046976280E+03, 2.967474680E+00] ),
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NASA( [ 1000.00, 6000.00], [ 2.952576260E+00, 1.396900570E-03,
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-4.926316910E-07, 7.860103670E-11, -4.607553210E-15,
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-9.239486450E+02, 5.871892520E+00] )
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),
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note = "TPIS78"
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)
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species(name = "N2+",
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atoms = " N:2 E:-1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 3.775407110E+00, -2.064591570E-03,
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4.757523010E-06, -3.156642280E-09, 6.705099730E-13,
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1.804811150E+05, 2.693221860E+00] ),
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NASA( [ 1000.00, 6000.00], [ 3.586613630E+00, 2.530719490E-04,
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1.847782140E-07, -4.552572230E-11, 3.268180290E-15,
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1.803909940E+05, 3.095841500E+00] )
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),
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note = "TPIS89"
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)
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species(name = "O",
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atoms = " O:1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 3.168267100E+00, -3.279318840E-03,
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6.643063960E-06, -6.128066240E-09, 2.112659710E-12,
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2.912225920E+04, 2.051933460E+00] ),
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NASA( [ 1000.00, 6000.00], [ 2.543636970E+00, -2.731624860E-05,
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-4.190295200E-09, 4.954818450E-12, -4.795536940E-16,
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2.922601200E+04, 4.922294570E+00] )
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),
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note = "L 1/90"
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)
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species(name = "O+",
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atoms = " O:1 E:-1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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1.879352910E+05, 4.393376890E+00] ),
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NASA( [ 1000.00, 6000.00], [ 2.487733170E+00, 2.176600160E-05,
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-1.089558060E-08, 1.259092120E-12, 1.373167200E-16,
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1.879399650E+05, 4.461340910E+00] )
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),
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note = "L 1/90"
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)
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species(name = "O2",
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atoms = " O:2 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 3.782456360E+00, -2.996734150E-03,
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9.847302000E-06, -9.681295080E-09, 3.243728360E-12,
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-1.063943560E+03, 3.657675730E+00] ),
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NASA( [ 1000.00, 6000.00], [ 3.660960830E+00, 6.563655230E-04,
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-1.411494850E-07, 2.057976580E-11, -1.299132480E-15,
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-1.215977250E+03, 3.415361840E+00] )
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),
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note = "TPIS89"
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)
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species(name = "O2+",
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atoms = " O:2 E:-1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 4.610171670E+00, -6.359519520E-03,
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1.424256240E-05, -1.209979230E-08, 3.709568780E-12,
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1.397422290E+05, -2.013268740E-01] ),
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NASA( [ 1000.00, 6000.00], [ 3.316759220E+00, 1.115222440E-03,
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-3.834925560E-07, 5.727846870E-11, -2.776483810E-15,
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1.398768230E+05, 5.447264760E+00] )
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),
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note = "TPIS89"
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)
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228
test_problems/ChemEquil_ionizedGas/air_below6000K.xml
Normal file
228
test_problems/ChemEquil_ionizedGas/air_below6000K.xml
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<?xml version="1.0"?>
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<ctml>
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<validate reactions="yes" species="yes"/>
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<!-- phase air_below6000K -->
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<phase dim="3" id="air_below6000K">
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<elementArray datasrc="elements.xml">N O E </elementArray>
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<speciesArray datasrc="#species_data">N2 O2 N O NO NO+ Electron N+ O+ N2+ O2+ </speciesArray>
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<reactionArray datasrc="#reaction_data"/>
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<state>
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<temperature units="K">298.14999999999998</temperature>
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<pressure units="Pa">101325.0</pressure>
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<moleFractions>N2:0.78847, O2:0.21153</moleFractions>
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</state>
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<thermo model="IdealGas"/>
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<kinetics model="GasKinetics"/>
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<transport model="None"/>
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</phase>
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<!-- species definitions -->
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<speciesData id="species_data">
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<!-- species Electron -->
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<species name="Electron">
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<atomArray>E:1 </atomArray>
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<note>gas L10/92</note>
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<charge>-1</charge>
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<thermo>
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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0.000000000E+00, -7.453750000E+02, -1.172469020E+01</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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0.000000000E+00, -7.453750000E+02, -1.172469020E+01</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species N -->
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<species name="N">
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<atomArray>N:1 </atomArray>
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<note>L 6/88</note>
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<thermo>
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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0.000000000E+00, 5.610463780E+04, 4.193909320E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.415942930E+00, 1.748906000E-04, -1.190236670E-07, 3.022623870E-11,
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-2.036097900E-15, 5.613377480E+04, 4.649609860E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species N+ -->
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<species name="N+">
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<atomArray>E:-1 N:1 </atomArray>
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<note>L 7/88</note>
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<charge>1</charge>
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<thermo>
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.802694450E+00, -1.447589110E-03, 2.771183800E-06, -2.401873520E-09,
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7.808399310E-13, 2.255752440E+05, 3.578778350E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.511129670E+00, 3.464417510E-06, -1.594269380E-08, 7.248656630E-12,
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-6.445014260E-16, 2.256243400E+05, 4.927676610E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species NO -->
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<species name="NO">
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<atomArray>O:1 N:1 </atomArray>
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<note>TPIS89</note>
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<thermo>
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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4.218598960E+00, -4.639881240E-03, 1.104430490E-05, -9.340555070E-09,
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2.805548740E-12, 9.845099640E+03, 2.280610010E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.260712340E+00, 1.191011350E-03, -4.291226460E-07, 6.944814630E-11,
|
||||
-4.032956810E-15, 9.921431320E+03, 6.369005180E+00</floatArray>
|
||||
</NASA>
|
||||
</thermo>
|
||||
</species>
|
||||
|
||||
<!-- species NO+ -->
|
||||
<species name="NO+">
|
||||
<atomArray>E:-1 O:1 N:1 </atomArray>
|
||||
<note>TPIS89</note>
|
||||
<charge>1</charge>
|
||||
<thermo>
|
||||
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
3.693012310E+00, -1.342291580E-03, 2.673433950E-06, -1.026093080E-09,
|
||||
-6.956104920E-14, 1.181030550E+05, 3.091266980E+00</floatArray>
|
||||
</NASA>
|
||||
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
2.945877020E+00, 1.403252600E-03, -4.955031960E-07, 7.959489730E-11,
|
||||
-4.720766680E-15, 1.182443400E+05, 6.706446410E+00</floatArray>
|
||||
</NASA>
|
||||
</thermo>
|
||||
</species>
|
||||
|
||||
<!-- species N2 -->
|
||||
<species name="N2">
|
||||
<atomArray>N:2 </atomArray>
|
||||
<note>TPIS78</note>
|
||||
<thermo>
|
||||
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
3.531005280E+00, -1.236609870E-04, -5.029994370E-07, 2.435306120E-09,
|
||||
-1.408812350E-12, -1.046976280E+03, 2.967474680E+00</floatArray>
|
||||
</NASA>
|
||||
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
2.952576260E+00, 1.396900570E-03, -4.926316910E-07, 7.860103670E-11,
|
||||
-4.607553210E-15, -9.239486450E+02, 5.871892520E+00</floatArray>
|
||||
</NASA>
|
||||
</thermo>
|
||||
</species>
|
||||
|
||||
<!-- species N2+ -->
|
||||
<species name="N2+">
|
||||
<atomArray>E:-1 N:2 </atomArray>
|
||||
<note>TPIS89</note>
|
||||
<charge>1</charge>
|
||||
<thermo>
|
||||
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
3.775407110E+00, -2.064591570E-03, 4.757523010E-06, -3.156642280E-09,
|
||||
6.705099730E-13, 1.804811150E+05, 2.693221860E+00</floatArray>
|
||||
</NASA>
|
||||
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
3.586613630E+00, 2.530719490E-04, 1.847782140E-07, -4.552572230E-11,
|
||||
3.268180290E-15, 1.803909940E+05, 3.095841500E+00</floatArray>
|
||||
</NASA>
|
||||
</thermo>
|
||||
</species>
|
||||
|
||||
<!-- species O -->
|
||||
<species name="O">
|
||||
<atomArray>O:1 </atomArray>
|
||||
<note>L 1/90</note>
|
||||
<thermo>
|
||||
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09,
|
||||
2.112659710E-12, 2.912225920E+04, 2.051933460E+00</floatArray>
|
||||
</NASA>
|
||||
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
2.543636970E+00, -2.731624860E-05, -4.190295200E-09, 4.954818450E-12,
|
||||
-4.795536940E-16, 2.922601200E+04, 4.922294570E+00</floatArray>
|
||||
</NASA>
|
||||
</thermo>
|
||||
</species>
|
||||
|
||||
<!-- species O+ -->
|
||||
<species name="O+">
|
||||
<atomArray>E:-1 O:1 </atomArray>
|
||||
<note>L 1/90</note>
|
||||
<charge>1</charge>
|
||||
<thermo>
|
||||
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
||||
0.000000000E+00, 1.879352910E+05, 4.393376890E+00</floatArray>
|
||||
</NASA>
|
||||
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
2.487733170E+00, 2.176600160E-05, -1.089558060E-08, 1.259092120E-12,
|
||||
1.373167200E-16, 1.879399650E+05, 4.461340910E+00</floatArray>
|
||||
</NASA>
|
||||
</thermo>
|
||||
</species>
|
||||
|
||||
<!-- species O2 -->
|
||||
<species name="O2">
|
||||
<atomArray>O:2 </atomArray>
|
||||
<note>TPIS89</note>
|
||||
<thermo>
|
||||
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
3.782456360E+00, -2.996734150E-03, 9.847302000E-06, -9.681295080E-09,
|
||||
3.243728360E-12, -1.063943560E+03, 3.657675730E+00</floatArray>
|
||||
</NASA>
|
||||
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
3.660960830E+00, 6.563655230E-04, -1.411494850E-07, 2.057976580E-11,
|
||||
-1.299132480E-15, -1.215977250E+03, 3.415361840E+00</floatArray>
|
||||
</NASA>
|
||||
</thermo>
|
||||
</species>
|
||||
|
||||
<!-- species O2+ -->
|
||||
<species name="O2+">
|
||||
<atomArray>E:-1 O:2 </atomArray>
|
||||
<note>TPIS89</note>
|
||||
<charge>1</charge>
|
||||
<thermo>
|
||||
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
4.610171670E+00, -6.359519520E-03, 1.424256240E-05, -1.209979230E-08,
|
||||
3.709568780E-12, 1.397422290E+05, -2.013268740E-01</floatArray>
|
||||
</NASA>
|
||||
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
3.316759220E+00, 1.115222440E-03, -3.834925560E-07, 5.727846870E-11,
|
||||
-2.776483810E-15, 1.398768230E+05, 5.447264760E+00</floatArray>
|
||||
</NASA>
|
||||
</thermo>
|
||||
</species>
|
||||
</speciesData>
|
||||
<reactionData id="reaction_data"/>
|
||||
</ctml>
|
||||
78
test_problems/ChemEquil_ionizedGas/ionizedGasEquil.cpp
Normal file
78
test_problems/ChemEquil_ionizedGas/ionizedGasEquil.cpp
Normal file
|
|
@ -0,0 +1,78 @@
|
|||
/*
|
||||
* $Author$
|
||||
* $Date$
|
||||
* $Revision$
|
||||
*
|
||||
*
|
||||
*/
|
||||
|
||||
#ifdef SRCDIRTREE
|
||||
#include "ct_defs.h"
|
||||
#include "ThermoPhase.h"
|
||||
#include "IdealGasMix.h"
|
||||
#include "equil.h"
|
||||
#else
|
||||
#include "Cantera.h"
|
||||
#include "IdealGasMix.h"
|
||||
#include "equilibrium.h"
|
||||
#endif
|
||||
|
||||
|
||||
using namespace std;
|
||||
using namespace Cantera;
|
||||
#ifdef DEBUG_HKM_EPEQUIL
|
||||
extern int debug_prnt_lvl;
|
||||
#endif
|
||||
int main(int argc, char **argv) {
|
||||
#ifdef DEBUG_HKM_EPEQUIL
|
||||
debug_prnt_lvl = 0;
|
||||
#endif
|
||||
try {
|
||||
|
||||
IdealGasPhase* gas = new IdealGasMix("air_below6000K.xml","air_below6000K");
|
||||
|
||||
vector_fp IndVar2(6, 0.0);
|
||||
IndVar2[0] = 1.5E5;
|
||||
IndVar2[1] = 3.0E5;
|
||||
IndVar2[2] = 9.0E5;
|
||||
IndVar2[3] = 2.7E6;
|
||||
IndVar2[4] = 6.7E6;
|
||||
IndVar2[5] = 1.0E7;
|
||||
|
||||
vector_fp IndVar1(7, 0.0);
|
||||
IndVar1[0] = 1.0E-8;
|
||||
IndVar1[1] = 1.0E-7;
|
||||
IndVar1[2] = 1.0E-6;
|
||||
IndVar1[3] = 1.0E-5;
|
||||
IndVar1[4] = 1.0E-4;
|
||||
IndVar1[5] = 1.0E-3;
|
||||
IndVar1[6] = 1.0E-2;
|
||||
int nj = 6;
|
||||
int ni = 7;
|
||||
|
||||
for (int j=0; j<nj; j++) {
|
||||
for (int i=0; i<ni; i++) {
|
||||
double offset = -301471.39;
|
||||
gas->setState_UV(IndVar2[j]+offset,1.0/IndVar1[i]);
|
||||
double tkelvin = gas->temperature();
|
||||
double pres = gas->pressure();
|
||||
printf("Initial T = %g, pres = %g atm \n", tkelvin, pres/OneAtm);
|
||||
beginLogGroup("topEquil", -1);
|
||||
equilibrate(*gas,"UV", -1);
|
||||
endLogGroup("topEquil");
|
||||
cout << report(*gas) << endl;
|
||||
|
||||
tkelvin = gas->temperature();
|
||||
pres = gas->pressure();
|
||||
printf("Final T = %g, pres = %g atm\n", tkelvin, pres/OneAtm);
|
||||
|
||||
}
|
||||
}
|
||||
delete gas;
|
||||
}
|
||||
|
||||
catch (CanteraError) {
|
||||
showErrors();
|
||||
}
|
||||
return 0;
|
||||
}
|
||||
1386
test_problems/ChemEquil_ionizedGas/output_blessed.txt
Normal file
1386
test_problems/ChemEquil_ionizedGas/output_blessed.txt
Normal file
File diff suppressed because it is too large
Load diff
32
test_problems/ChemEquil_ionizedGas/runtest
Executable file
32
test_problems/ChemEquil_ionizedGas/runtest
Executable file
|
|
@ -0,0 +1,32 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
#
|
||||
temp_success="1"
|
||||
/bin/rm -f output.txt outputa.txt
|
||||
testName="ChemEquil_ionizedGas"
|
||||
|
||||
#################################################################
|
||||
#
|
||||
#################################################################
|
||||
CANTERA_DATA=${CANTERA_DATA:=../../data/inputs}; export CANTERA_DATA
|
||||
|
||||
CANTERA_BIN=${CANTERA_BIN:=../../bin}
|
||||
./ionizedGasEquil > output.txt
|
||||
retnStat=$?
|
||||
if [ $retnStat != "0" ]
|
||||
then
|
||||
temp_success="1"
|
||||
echo "ERROR: $testName: ionizedGasEquil returned with bad status, $retnStat, check output"
|
||||
fi
|
||||
|
||||
diff -w output.txt output_blessed.txt > diff_test.out
|
||||
retnStat=$?
|
||||
if [ $retnStat = "0" ]
|
||||
then
|
||||
echo "successful diff comparison on $testName test"
|
||||
temp_success="0"
|
||||
else
|
||||
echo "FAILED: unsuccessful diff comparison on $testName test"
|
||||
echo "FAILED" > csvCode.txt
|
||||
fi
|
||||
|
||||
Loading…
Add table
Reference in a new issue