diff --git a/test_problems/Makefile.in b/test_problems/Makefile.in index bddd95c46..ebcfccaa0 100644 --- a/test_problems/Makefile.in +++ b/test_problems/Makefile.in @@ -15,6 +15,7 @@ all: cd fracCoeff; @MAKE@ all cd negATest; @MAKE@ all cd diamondSurf; @MAKE@ all + cd diamondSurf_dupl; @MAKE@ all cd ChemEquil_gri_matrix; @MAKE@ all cd ChemEquil_gri_pairs; @MAKE@ all cd ChemEquil_ionizedGas; @MAKE@ all @@ -41,6 +42,7 @@ test: @ cd fracCoeff; @MAKE@ -s test @ cd negATest; @MAKE@ -s test @ cd diamondSurf; @MAKE@ -s test + @ cd diamondSurf_dupl; @MAKE@ -s test @ cd ChemEquil_gri_matrix; @MAKE@ -s test @ cd ChemEquil_gri_pairs; @MAKE@ -s test @ cd ChemEquil_ionizedGas; @MAKE@ -s test @@ -69,6 +71,7 @@ clean: cd fracCoeff; $(RM) .depends ; @MAKE@ clean cd negATest; $(RM) .depends ; @MAKE@ clean cd diamondSurf; $(RM) .depends ; @MAKE@ clean + cd diamondSurf_dupl; $(RM) .depends ; @MAKE@ clean cd ChemEquil_gri_matrix; $(RM) .depends ; @MAKE@ clean cd ChemEquil_gri_pairs; $(RM) .depends ; @MAKE@ clean cd ChemEquil_ionizedGas; $(RM) .depends ; @MAKE@ clean @@ -85,6 +88,7 @@ depends: cd fracCoeff; @MAKE@ depends cd negATest; @MAKE@ depends cd diamondSurf; @MAKE@ depends + cd diamondSurf_dupl; @MAKE@ depends cd ChemEquil_gri_matrix; @MAKE@ depends cd ChemEquil_gri_pairs; @MAKE@ depends cd ChemEquil_ionizedGas; @MAKE@ depends diff --git a/test_problems/cathermo/DH_graph_NM/.cvsignore b/test_problems/cathermo/DH_graph_NM/.cvsignore index 06d3bfff1..900806e4b 100644 --- a/test_problems/cathermo/DH_graph_NM/.cvsignore +++ b/test_problems/cathermo/DH_graph_NM/.cvsignore @@ -5,3 +5,4 @@ DH_graph_1.d DH_graph_1.log Makefile output.txt +csvCode.txt diff --git a/test_problems/cathermo/DH_graph_acommon/.cvsignore b/test_problems/cathermo/DH_graph_acommon/.cvsignore index 465026376..627b80921 100644 --- a/test_problems/cathermo/DH_graph_acommon/.cvsignore +++ b/test_problems/cathermo/DH_graph_acommon/.cvsignore @@ -5,4 +5,4 @@ DH_graph_1.d DH_graph_1.log Makefile output.txt - +csvCode.txt diff --git a/test_problems/cathermo/DH_graph_bdotak/.cvsignore b/test_problems/cathermo/DH_graph_bdotak/.cvsignore index 9ef6ad583..2c1529121 100644 --- a/test_problems/cathermo/DH_graph_bdotak/.cvsignore +++ b/test_problems/cathermo/DH_graph_bdotak/.cvsignore @@ -5,3 +5,4 @@ DH_graph_1.d DH_graph_1.log Makefile output.txt +csvCode.txt diff --git a/test_problems/cathermo/Makefile.in b/test_problems/cathermo/Makefile.in index 4ed5dd447..70f4f40af 100644 --- a/test_problems/cathermo/Makefile.in +++ b/test_problems/cathermo/Makefile.in @@ -31,6 +31,7 @@ ifeq ($(test_electrolytes),1) cd DH_graph_bdotak; @MAKE@ all cd DH_graph_NM; @MAKE@ all cd DH_graph_Pitzer; @MAKE@ all + cd HMW_dupl_test; @MAKE@ all endif test: @@ -57,6 +58,7 @@ ifeq ($(test_electrolytes),1) cd DH_graph_bdotak; @MAKE@ -s test cd DH_graph_NM; @MAKE@ -s test cd DH_graph_Pitzer; @MAKE@ -s test + cd HMW_dupl_test; @MAKE@ -s test endif # # Have to remove .depends before calling make, because @@ -85,6 +87,7 @@ clean: cd DH_graph_bdotak; $(RM) .depends ; @MAKE@ clean cd DH_graph_NM; $(RM) .depends ; @MAKE@ clean cd DH_graph_Pitzer; $(RM) .depends ; @MAKE@ clean + cd HMW_dupl_test; $(RM) .depends ; @MAKE@ clean depends: ifeq ($(test_issp),1) @@ -107,7 +110,8 @@ ifeq ($(test_electrolytes),1) cd HMW_test_3; @MAKE@ depends cd DH_graph_1; @MAKE@ depends cd DH_graph_acommon; @MAKE@ depends - cd DH_graph_bdotak; @MAKE@ depends - cd DH_graph_NM; @MAKE@ depends - cd DH_graph_Pitzer; @MAKE@ depends + cd DH_graph_bdotak; @MAKE@ depends + cd DH_graph_NM; @MAKE@ depends + cd DH_graph_Pitzer; @MAKE@ depends + cd HMW_dupl_test; @MAKE@ depends endif diff --git a/test_problems/diamondSurf_dupl/.cvsignore b/test_problems/diamondSurf_dupl/.cvsignore new file mode 100644 index 000000000..d4f626081 --- /dev/null +++ b/test_problems/diamondSurf_dupl/.cvsignore @@ -0,0 +1,18 @@ +Makefile +csvCode.txt +diff_test.out +output.txt +runDiamond +ct2ctml.log +xml_diff_test.out +.depends +*.d +.cttmp.py +runDiamond.ilk +diamondSurf.pdb +diamonda.xml +outputa.txt +test.xml +SunWS_cache +diff_test.txt +runDiamondDupl diff --git a/test_problems/diamondSurf_dupl/Makefile.in b/test_problems/diamondSurf_dupl/Makefile.in new file mode 100644 index 000000000..a329db688 --- /dev/null +++ b/test_problems/diamondSurf_dupl/Makefile.in @@ -0,0 +1,122 @@ +#!/bin/sh + +############################################################################ +# +# Makefile to compile and link a C++ application to +# Cantera. +# +############################################################################# + +# addition to suffixes +.SUFFIXES : .d + +# the name of the executable program to be created +PROG_NAME = runDiamondDupl + +# the object files to be linked together. List those generated from Fortran +# and from C/C++ separately +OBJS = runDiamondDupl.o + +# Location of the current build. Will assume that tests are run +# in the source directory tree location +src_dir_tree = 0 + +# additional flags to be passed to the linker. If your program +# requires other external libraries, put them here +LINK_OPTIONS = @EXTRA_LINK@ + +############################################################################# + +# Check to see whether we are in the msvc++ environment +os_is_win = @OS_IS_WIN@ + +# Fortran libraries +FORT_LIBS = @FLIBS@ + +# the C++ compiler +CXX = @CXX@ + +# C++ compile flags +ifeq ($(src_dir_tree), 1) +CXX_FLAGS = -DSRCDIRTREE @CXXFLAGS@ +else +CXX_FLAGS = @CXXFLAGS@ +endif + +# Ending C++ linking libraries +LCXX_END_LIBS = @LCXX_END_LIBS@ + +# the directory where the Cantera libraries are located +CANTERA_LIBDIR=@buildlib@ + +# required Cantera libraries +CANTERA_LIBS = @LOCAL_LIBS@ -lctcxx + +# the directory where Cantera include files may be found. +ifeq ($(src_dir_tree), 1) +CANTERA_INCDIR=../../Cantera/src +else +CANTERA_INCDIR=@ctroot@/build/include/cantera +endif + +# flags passed to the C++ compiler/linker for the linking step +LCXX_FLAGS = -L$(CANTERA_LIBDIR) @LOCAL_LIB_DIRS@ @CXXFLAGS@ + +# How to compile C++ source files to object files +.@CXX_EXT@.@OBJ_EXT@: Interface.h + $(CXX) -c $< -I$(CANTERA_INCDIR) @CXX_INCLUDES@ $(CXX_FLAGS) + +# How to compile the dependency file +.cpp.d: + @CXX_DEPENDS@ -I$(CANTERA_INCDIR) $(CXX_FLAGS) $*.cpp > $*.d + +# List of dependency files to be created +DEPENDS=$(OBJS:.o=.d) + +# Program Name +PROGRAM = $(PROG_NAME)$(EXE_EXT) + +# all rule makes a single program +all: $(PROGRAM) + +# Rule to make the program +$(PROGRAM): $(OBJS) $(CANTERA_LIBDIR)/libctbase.a + $(CXX) -o $(PROGRAM) $(OBJS) $(LCXX_FLAGS) $(LINK_OPTIONS) \ + $(CANTERA_LIBS) @LIBS@ $(FORT_LIBS) \ + $(LCXX_END_LIBS) + +# Add an additional target for stability: +$(OBJS): $(CANTERA_LIBDIR)/libctbase.a $(CANTERA_LIBDIR)/libthermo.a + + +# depends target +depends: + $(RM) *.d .depends + @MAKE@ .depends + +.depends: $(DEPENDS) + cat *.d > .depends + +# Do the test -> For the windows vc++ environment, we have to skip checking on +# whether the program is uptodate, because we don't utilize make +# in that environment to build programs. +test: +ifeq ($(os_is_win), 1) +else + @ @MAKE@ -s $(PROGRAM) +endif + @ ./runtest + +# clean target -> clean up +clean: + $(RM) $(OBJS) $(PROGRAM) $(DEPENDS) .depends + ../../bin/rm_cvsignore + (if test -d SunWS_cache ; then \ + $(RM) -rf SunWS_cache ; \ + fi ) + +ifeq ($(wildcard .depends), .depends) +include .depends +endif + + diff --git a/test_problems/diamondSurf_dupl/diamond.xml b/test_problems/diamondSurf_dupl/diamond.xml new file mode 100644 index 000000000..812d61a8a --- /dev/null +++ b/test_problems/diamondSurf_dupl/diamond.xml @@ -0,0 +1,449 @@ + + + + + + + H C + H H2 CH3 CH4 + + 1200.0 + 2666.4473684210525 + H:0.002, H2:0.988, CH3:0.0002, CH4:0.01 + + + + + + + + + H C + C(d) + + 3.52 + + + + + + + + H C + c6HH c6H* c6*H c6** c6HM c6HM* c6*M c6B + + + 1200.0 + c6H*:0.1, c6HH:0.9 + + + 3e-09 + + + + gas diamond + + + + + + + + C:1 + + + 298.14999999999998 + 0.0 + 0.0 + 0.0 + + + + + + + H:1 + + + 298.14999999999998 + 51.700000000000003 + 19.5 + 0.0 + + + + + + + H:1 + + + 298.14999999999998 + 46.100000000000001 + 19.899999999999999 + 0.0 + + + + + + + H:2 + + + 298.14999999999998 + 11.4 + 21.0 + 0.0 + + + + + + + H:4 C:1 + + + 298.14999999999998 + 26.899999999999999 + 40.299999999999997 + 0.0 + + + + + + + H:3 C:1 + + + 298.14999999999998 + 65.799999999999997 + 40.100000000000001 + 0.0 + + + + + + + H:3 C:1 + + + 298.14999999999998 + 53.299999999999997 + 38.899999999999999 + 0.0 + + + + + + + C:0 + + + 298.14999999999998 + 90.0 + 18.399999999999999 + 0.0 + + + + + + + H:2 C:1 + + + 298.14999999999998 + 40.899999999999999 + 26.899999999999999 + 0.0 + + + + + + + + + c6HH + H [=] c6H* + H2 + + + 1.300000E+11 + 0.0 + 7.300000 + + + H:1 c6HH:1.0 + H2:1 c6H*:1.0 + + + + + c6H* + H [=] c6HH + + + 1.000000E+10 + 0.0 + 0.000000 + + + c6H*:1.0 H:1 + c6HH:1.0 + + + + + c6H* + CH3 [=] c6HM + + + 5.000000E+09 + 0.0 + 0.000000 + + + c6H*:1.0 CH3:1 + c6HM:1.0 + + + + + c6HM + H [=] c6*M + H2 + + + 1.300000E+11 + 0.0 + 7.300000 + + + H:1 c6HM:1.0 + H2:1 c6*M:1.0 + + + + + c6*M + H [=] c6HM + + + 1.000000E+10 + 0.0 + 0.000000 + + + H:1 c6*M:1.0 + c6HM:1.0 + + + + + c6HM + H [=] c6HM* + H2 + + + 2.800000E+04 + 0.0 + 7.700000 + + + H:1 c6HM:1.0 + H2:1 c6HM*:1.0 + + + + + c6HM* + H [=] c6HM + + + 1.000000E+10 + 0.0 + 0.000000 + + + c6HM*:1.0 H:1 + c6HM:1.0 + + + + + c6HM* [=] c6*M + + + 1.000000E+08 + 0.0 + 0.000000 + + + c6HM*:1.0 + c6*M:1.0 + + + + + c6HM* + H [=] c6H* + CH3 + + + 3.000000E+10 + 0.0 + 0.000000 + + + c6HM*:1.0 H:1 + c6H*:1.0 CH3:1 + + + + + c6HM* + H [=] c6B + H2 + + + 1.300000E+11 + 0.0 + 7.300000 + + + c6HM*:1.0 H:1 + H2:1 c6B:1.0 + + + + + c6*M + H [=] c6B + H2 + + + 2.800000E+04 + 2.0 + 7.700000 + + + H:1 c6*M:1.0 + H2:1 c6B:1.0 + + + + + c6HH + H [=] c6*H + H2 + + + 1.300000E+11 + 0.0 + 7.300000 + + + H:1 c6HH:1.0 + H2:1 c6*H:1.0 + + + + + c6*H + H [=] c6HH + + + 1.000000E+10 + 0.0 + 0.000000 + + + c6*H:1.0 H:1 + c6HH:1.0 + + + + + c6H* + H [=] c6** + H2 + + + 1.300000E+11 + 0.0 + 7.300000 + + + c6H*:1.0 H:1 + H2:1 c6**:1.0 + + + + + c6** + H [=] c6H* + + + 1.000000E+10 + 0.0 + 0.000000 + + + H:1 c6**:1.0 + c6H*:1.0 + + + + + c6*H + H [=] c6** + H2 + + + 4.500000E+03 + 2.0 + 5.000000 + + + c6*H:1.0 H:1 + H2:1 c6**:1.0 + + + + + c6** + H [=] c6*H + + + 1.000000E+10 + 0.0 + 0.000000 + + + H:1 c6**:1.0 + c6*H:1.0 + + + + + c6** + CH3 [=] c6*M + + + 5.000000E+09 + 0.0 + 0.000000 + + + CH3:1 c6**:1.0 + c6*M:1.0 + + + + + c6H* [=] c6*H + + + 1.000000E+08 + 0.0 + 0.000000 + + + c6H*:1.0 + c6*H:1.0 + + + + + c6B [=] c6HH + C(d) + + + 1.000000E+09 + 0.0 + 0.000000 + + + c6B:1.0 + C(d):1 c6HH:1.0 + + + diff --git a/test_problems/diamondSurf_dupl/output_blessed.txt b/test_problems/diamondSurf_dupl/output_blessed.txt new file mode 100644 index 000000000..a0aab7f4d --- /dev/null +++ b/test_problems/diamondSurf_dupl/output_blessed.txt @@ -0,0 +1,53 @@ +Number of species = 4 +Number of species in diamond = 1 +Number of species in diamond_100 = 8 +Number of reactions = 20 +0 1 -8.95751e-05 +1 2 4.48403e-05 +2 3 -3.51539e-08 +3 4 nil +4 0 3.51539e-08 +5 2 nil +6 1 nil +7 1 nil +8 0 nil +9 4 nil +10 3 nil +11 3 nil +12 2 nil +sum = nil +growth rate = 0.43183 microns per hour +Coverages: +0 c6HH 0.462262 +1 c6H* 0.037052 +2 c6*H 0.474283 +3 c6** 0.0219445 +4 c6HM 0.00174648 +5 c6HM* 2.56272e-05 +6 c6*M 0.00264858 +7 c6B 3.8171e-05 +Number of reactions = 20 +0 1 -8.95751e-05 +1 2 4.48403e-05 +2 3 -3.51539e-08 +3 4 nil +4 0 3.51539e-08 +5 2 nil +6 1 nil +7 1 nil +8 0 nil +9 4 nil +10 3 nil +11 3 nil +12 2 nil +sum = nil +growth rate = 0.43183 microns per hour +Coverages: +0 c6HH 0.462262 +1 c6H* 0.037052 +2 c6*H 0.474283 +3 c6** 0.0219445 +4 c6HM 0.00174648 +5 c6HM* 2.56272e-05 +6 c6*M 0.00264858 +7 c6B 3.8171e-05 diff --git a/test_problems/diamondSurf_dupl/runDiamondDupl.cpp b/test_problems/diamondSurf_dupl/runDiamondDupl.cpp new file mode 100644 index 000000000..0baa4a529 --- /dev/null +++ b/test_problems/diamondSurf_dupl/runDiamondDupl.cpp @@ -0,0 +1,240 @@ +/** + * @file runDiamond.cpp + * + */ + +// Example +// +// 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 +#include +#include +#include + +using namespace std; + +#ifdef DEBUG_HKM +int iDebug_HKM = 0; +#endif + +/*****************************************************************/ +/*****************************************************************/ + +#include "Cantera.h" +#include "kinetics.h" + + +using namespace Cantera; + +void printDbl(double val) { + if (fabs(val) < 5.0E-17) { + cout << " nil"; + } else { + cout << val; + } +} + +int main(int argc, char** argv) { + int i, k; + string infile = "diamond.xml"; + + try { + XML_Node *xc = new XML_Node(); + string path = findInputFile(infile); + ctml::get_CTML_Tree(xc, path); + + XML_Node * const xg = xc->findNameID("phase", "gas"); + ThermoPhase *gasTP = newPhase(*xg); + int nsp = gasTP->nSpecies(); + cout << "Number of species = " << nsp << endl; + + XML_Node * const xd = xc->findNameID("phase", "diamond"); + ThermoPhase *diamondTP = newPhase(*xd); + int nsp_diamond = diamondTP->nSpecies(); + cout << "Number of species in diamond = " << nsp_diamond << endl; + + + XML_Node * const xs = xc->findNameID("phase", "diamond_100"); + ThermoPhase *diamond100TP = newPhase(*xs); + //SurfPhase *diamond100TP = new SurfPhase(*xs); + int nsp_d100 = diamond100TP->nSpecies(); + cout << "Number of species in diamond_100 = " << nsp_d100 << endl; + + vector phaseList; + phaseList.push_back(gasTP); + phaseList.push_back(diamondTP); + phaseList.push_back(diamond100TP); + InterfaceKinetics *iKin_ptr = new InterfaceKinetics(); + importKinetics(*xs, phaseList, iKin_ptr); + int nr = iKin_ptr->nReactions(); + cout << "Number of reactions = " << nr << endl; + + double x[20]; + for (i = 0; i < 20; i++) x[i] = 0.0; + x[0] = 0.0010; + x[1] = 0.9888; + x[2] = 0.0002; + x[3] = 0.0100; + double p = 20.0*OneAtm/760.0; + + gasTP->setState_TPX(1200., p, x); + + for (i = 0; i < 20; i++) x[i] = 0.0; + int i0 = diamond100TP->speciesIndex("c6H*"); + x[i0] = 0.1; + int i1 = diamond100TP->speciesIndex("c6HH"); + x[i1] = 0.9; + diamond100TP->setState_TX(1200., x); + + for (i = 0; i < 20; i++) x[i] = 0.0; + x[0] = 1.0; + diamondTP->setState_TPX(1200., p, x); + + iKin_ptr->advanceCoverages(100.); + + // Throw some asserts in here to test that they compile + AssertTrace(p == p); + AssertThrow(p == p, "main"); + AssertThrowMsg(i == 20, "main", "are you kidding"); + + double src[20]; + for (i = 0; i < 20; i++) src[i] = 0.0; + iKin_ptr->getNetProductionRates(src); + double sum = 0.0; + double naH = 0.0; + for (k = 0; k < 13; k++) { + if (k < 4) { + naH = gasTP->nAtoms(k, 0); + } else if (k == 4) { + naH = 0; + } else if (k > 4) { + int itp = k - 5; + naH = diamond100TP->nAtoms(itp, 0); + } + cout << k << " " << naH << " " ; + printDbl(src[k]); + cout << endl; + sum += naH * src[k]; + + } + + cout << "sum = "; + printDbl(sum); + cout << endl; + double mwd = diamondTP->molecularWeight(0); + double dens = diamondTP->density(); + double gr = src[4] * mwd / dens; + gr *= 1.0E6 * 3600.; + cout << "growth rate = " << gr << " microns per hour" << endl; + + + diamond100TP->getMoleFractions(x); + cout << "Coverages:" << endl; + for (k = 0; k < 8; k++) { + cout << k << " " << diamond100TP->speciesName(k) + << " " + << x[k] << endl; + } + + + /*********************************************************************************/ + /* + * OK NOW DUPLICATE EVERYTHING AND RECALCULATE + */ + ThermoPhase *gasTP_dupl = gasTP->duplMyselfAsThermoPhase(); + ThermoPhase *diamondTP_dupl = diamondTP->duplMyselfAsThermoPhase(); + ThermoPhase *diamond100TP_dupl = diamond100TP->duplMyselfAsThermoPhase(); + + + vector phaseList_dupl; + phaseList_dupl.push_back(gasTP_dupl); + phaseList_dupl.push_back(diamondTP_dupl); + phaseList_dupl.push_back(diamond100TP_dupl); + InterfaceKinetics *iKin_ptr_dupl = new InterfaceKinetics(); + importKinetics(*xs, phaseList_dupl, iKin_ptr_dupl); + int nr_dupl = iKin_ptr_dupl->nReactions(); + cout << "Number of reactions = " << nr_dupl << endl; + + + for (i = 0; i < 20; i++) x[i] = 0.0; + x[0] = 0.0010; + x[1] = 0.9888; + x[2] = 0.0002; + x[3] = 0.0100; + p = 20.0*OneAtm/760.0; + + gasTP_dupl->setState_TPX(1200., p, x); + + for (i = 0; i < 20; i++) x[i] = 0.0; + i0 = diamond100TP_dupl->speciesIndex("c6H*"); + x[i0] = 0.1; + i1 = diamond100TP_dupl->speciesIndex("c6HH"); + x[i1] = 0.9; + diamond100TP_dupl->setState_TX(1200., x); + + for (i = 0; i < 20; i++) x[i] = 0.0; + x[0] = 1.0; + diamondTP_dupl->setState_TPX(1200., p, x); + + iKin_ptr_dupl->advanceCoverages(100.); + + // Throw some asserts in here to test that they compile + AssertTrace(p == p); + AssertThrow(p == p, "main"); + AssertThrowMsg(i == 20, "main", "are you kidding"); + + + for (i = 0; i < 20; i++) src[i] = 0.0; + iKin_ptr_dupl->getNetProductionRates(src); + sum = 0.0; + naH = 0.0; + for (k = 0; k < 13; k++) { + if (k < 4) { + naH = gasTP_dupl->nAtoms(k, 0); + } else if (k == 4) { + naH = 0; + } else if (k > 4) { + int itp = k - 5; + naH = diamond100TP_dupl->nAtoms(itp, 0); + } + cout << k << " " << naH << " " ; + printDbl(src[k]); + cout << endl; + sum += naH * src[k]; + + } + + cout << "sum = "; + printDbl(sum); + cout << endl; + mwd = diamondTP_dupl->molecularWeight(0); + dens = diamondTP_dupl->density(); + gr = src[4] * mwd / dens; + gr *= 1.0E6 * 3600.; + cout << "growth rate = " << gr << " microns per hour" << endl; + + + diamond100TP_dupl->getMoleFractions(x); + cout << "Coverages:" << endl; + for (k = 0; k < 8; k++) { + cout << k << " " << diamond100TP_dupl->speciesName(k) + << " " + << x[k] << endl; + } + + + + } + catch (CanteraError) { + showErrors(cout); + } + + return 0; +} +/***********************************************************/ diff --git a/test_problems/diamondSurf_dupl/runtest b/test_problems/diamondSurf_dupl/runtest new file mode 100755 index 000000000..5efc713c6 --- /dev/null +++ b/test_problems/diamondSurf_dupl/runtest @@ -0,0 +1,35 @@ +#!/bin/sh +# +# + +temp_success="1" +/bin/rm -f output.txt outputa.txt diff_test.txt +tname="diamondSurf_dupl" + +################################################################# +# +################################################################# +CANTERA_DATA=${CANTERA_DATA:=../../data/inputs}; export CANTERA_DATA + +CANTERA_BIN=${CANTERA_BIN:=../../bin} +./runDiamondDupl > output.txt +retnStat=$? +if [ $retnStat != "0" ] +then + temp_success="0" + echo "runDiamond ($tname test) returned with bad status, $retnStat, check output" +fi + +../../bin/exp3to2.sh output.txt > outputa.txt +diff -w outputa.txt output_blessed.txt > diff_test.txt +retnStat=$? +if [ $retnStat = "0" ] +then + echo "successful diff comparison on $tname test" +else + echo "unsuccessful diff comparison on $tname test" + echo "FAILED" > csvCode.txt + temp_success="0" +fi + +