diff --git a/test_problems/Makefile.in b/test_problems/Makefile.in index 33b4ccf90..d81f987ad 100644 --- a/test_problems/Makefile.in +++ b/test_problems/Makefile.in @@ -8,15 +8,18 @@ all: cd cxx_ex; @MAKE@ all cd silane_equil; @MAKE@ all cd surfkin; @MAKE@ all + cd diamondSurf; @MAKE@ all test: cd cxx_ex; @MAKE@ test cd silane_equil; @MAKE@ test cd surfkin; @MAKE@ test + cd diamondSurf; @MAKE@ test clean: $(RM) *.*~ cd cxx_ex; @MAKE@ clean cd silane_equil; @MAKE@ clean cd surfkin; @MAKE@ clean + cd diamondSurf; @MAKE@ clean diff --git a/test_problems/silane_equil/output_blessed.txt b/test_problems/silane_equil/output_blessed.txt index 9b2e97f4f..b345fe46f 100644 --- a/test_problems/silane_equil/output_blessed.txt +++ b/test_problems/silane_equil/output_blessed.txt @@ -1,17 +1,17 @@ temperature 2000 K pressure 100 Pa - density 1.33178e-05 kg/m^3 + density 1.33171e-05 kg/m^3 mean mol. weight 2.21449 amu 1 kg 1 kmol ----------- ------------ - enthalpy 3.03214e+07 6.715e+07 J - internal energy 2.28127e+07 5.052e+07 J - entropy 111330 2.465e+05 J/K - Gibbs function -1.92339e+08 -4.259e+08 J - heat capacity c_p 15110 3.346e+04 J/K - heat capacity c_v 11355.7 2.515e+04 J/K + enthalpy 3.03232e+07 6.715e+07 J + internal energy 2.2814e+07 5.052e+07 J + entropy 111336 2.466e+05 J/K + Gibbs function -1.9235e+08 -4.26e+08 J + heat capacity c_p 15110.9 3.346e+04 J/K + heat capacity c_v 11356.3 2.515e+04 J/K X Y ------------- ------------ diff --git a/test_problems/silane_equil/silane_equil.cpp b/test_problems/silane_equil/silane_equil.cpp index 5b36e9ade..5e9bf677f 100644 --- a/test_problems/silane_equil/silane_equil.cpp +++ b/test_problems/silane_equil/silane_equil.cpp @@ -14,7 +14,7 @@ int main(int argc, char **argv) { try { - IdealGasMix g("silane.xml"); + IdealGasMix g("silane.xml", "silane"); g.setState_TPX(2000.0, 100.0, "SIH4:0.01, H2:0.99"); equilibrate(g, TP); cout << g; diff --git a/test_problems/surfkin/Interface.h b/test_problems/surfkin/Interface.h index 75703bdac..d2c653c79 100644 --- a/test_problems/surfkin/Interface.h +++ b/test_problems/surfkin/Interface.h @@ -53,7 +53,7 @@ namespace Cantera { * Find the start of the surface phase data in the xml file * Store a pointer to the position in the tree. */ - XML_Node* x = find_XML("", m_r, id, "", ""); + XML_Node* x = get_XML_Node("#" + id, m_r); if (!x) { throw CanteraError("Interface","error in find_XML"); } diff --git a/test_problems/surfkin/Makefile.in b/test_problems/surfkin/Makefile.in index 24f6130ed..15e1156c7 100644 --- a/test_problems/surfkin/Makefile.in +++ b/test_problems/surfkin/Makefile.in @@ -48,19 +48,19 @@ CANTERA_INCDIR=@ctroot@/build/include/cantera LCXX_FLAGS = -L$(CANTERA_LIBDIR) @CXXFLAGS@ # how to compile C++ source files to object files -.@CXX_EXT@.@OBJ_EXT@: +.@CXX_EXT@.@OBJ_EXT@: Interface.h $(CXX) -c $< -I$(CANTERA_INCDIR) $(CXX_FLAGS) PROGRAM = $(PROG_NAME)$(EXE_EXT) all: $(PROGRAM) -$(PROGRAM): $(OBJS) $(CANTERA_LIBDIR)/libcantera.a Interface.h +$(PROGRAM): $(OBJS) $(CANTERA_LIBDIR)/libcantera.a $(CXX) -o $(PROGRAM) $(OBJS) $(LCXX_FLAGS) $(CANTERA_LIBS) \ $(LINK_OPTIONS) $(EXT_LIBS) @LIBS@ $(FORT_LIBS) \ $(LCXX_END_LIBS) -$(OBJS): Interface.h +$(OBJS): test: @MAKE@ $(PROGRAM) diff --git a/test_problems/surfkin/output_blessed.txt b/test_problems/surfkin/output_blessed.txt index 35908b4a5..edba9e53f 100644 --- a/test_problems/surfkin/output_blessed.txt +++ b/test_problems/surfkin/output_blessed.txt @@ -1,5 +1,5 @@ -H2 0.000670367 -H -0.000670367 +H2 0.000670329 +H -0.000670329 O 0 O2 0 OH 0 @@ -51,5 +51,5 @@ C3H7 0 C3H8 0 CH2CHO 0 CH3CHO 0 -surf-* 0.000670367 -surf-H -0.000670367 +surf-* 0.000670329 +surf-H -0.000670329 diff --git a/test_problems/surfkin/surfdemo.cpp b/test_problems/surfkin/surfdemo.cpp index 75a3fc7c4..be1df5cfd 100644 --- a/test_problems/surfkin/surfdemo.cpp +++ b/test_problems/surfkin/surfdemo.cpp @@ -12,7 +12,7 @@ using namespace Cantera; int main() { try { - IdealGasMix gas("gri30.xml"); + IdealGasMix gas("gri30.xml", "gri30"); gas.setState_TPX(1200.0, OneAtm, "H2:2, O2:1, OH:0.01, H:0.01, O:0.01");