Adding a single test
This commit is contained in:
Harry Moffat
parent
645658819a
commit
910f319223
5 changed files with 368 additions and 0 deletions
112
test_problems/cathermo/wtWater/Makefile
Normal file
112
test_problems/cathermo/wtWater/Makefile
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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 = wtWater
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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 = wtWater.o
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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 =
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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 = 0
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# Fortran libraries
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ifeq (0, 0)
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FORT_LIBS =
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else
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FORT_LIBS =
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endif
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# the C++ compiler
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CXX = /home/sntools/extras/compilers/gcc-4.2.4/bin/gcc
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# C++ compile flags
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CXX_FLAGS = -g -Wall -DDEBUG_HKM -DDEBUG_HKM_EPEQUIL
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# Ending C++ linking libraries
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LCXX_END_LIBS = -lctf2c -lgfortran -lm -lstdc++
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# the directory where the Cantera libraries are located
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CANTERA_LIBDIR=/ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu
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# required Cantera libraries
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CANTERA_LIBS = -luser -loneD -lzeroD -lequil -lVCSnonideal -lkinetics -ltransport -lthermo -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lsundials_cvodes -lsundials_nvecserial -lctlapack -lctblas -lctf2c -lctcxx
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# Dependencies for CANTERA_LIBS
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CANTERA_LIBS_DEP = /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libuser.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/liboneD.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libzeroD.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libequil.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libVCSnonideal.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libkinetics.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libtransport.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libthermo.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libctnumerics.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libctmath.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libtpx.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libctspectra.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libconverters.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libctbase.a /ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu/libctf2c.a $(CANTERA_LIBDIR)/libctcxx.a
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# the directory where Cantera include files may be found.
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CANTERA_INCDIR=/ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/include/cantera
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INCLUDES=-I$(CANTERA_INCDIR) -I$(CANTERA_INCDIR)/kernel
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# flags passed to the C++ compiler/linker for the linking step
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LCXX_FLAGS = -L$(CANTERA_LIBDIR) -L/ascldap/users/hkmoffa/Cantera/gc/canteraDevelop/build/lib/x86_64-unknown-linux-gnu -L/home/hkmoffa/arch/linux64/sundials/lib -g -Wall -DDEBUG_HKM -DDEBUG_HKM_EPEQUIL
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# How to compile C++ source files to object files
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.cpp.o:
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$(CXX) -c $< $(INCLUDES) $(CXX_FLAGS)
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# How to compile the dependency file
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.cpp.d:
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/home/sntools/extras/compilers/gcc-4.2.4/bin/g++ -MM $(INCLUDES) $(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: $(PROGRAM) .depends
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$(PROGRAM): $(OBJS) $(CANTERA_LIBS_DEP)
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$(CXX) -o $(PROGRAM) $(OBJS) $(LCXX_FLAGS) $(LINK_OPTIONS) \
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$(CANTERA_LIBS) $(FORT_LIBS) \
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$(LCXX_END_LIBS)
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# Add an additional target for stability:
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$(OBJS): $(CANTERA_LIBDIR)/libctbase.a $(CANTERA_LIBDIR)/libthermo.a
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# depends target -> forces recalculation of dependencies
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depends:
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gmake .depends
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.depends: $(DEPENDS)
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cat $(DEPENDS) > .depends
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# Do the test -> For the windows vc++ environment, we have to skip checking on
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# whether the program is uptodate, because we don't utilize make
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# in that environment to build programs.
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test:
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ifeq ($(os_is_win), 1)
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else
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@ gmake -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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ifeq ($(wildcard .depends), .depends)
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include .depends
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endif
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112
test_problems/cathermo/wtWater/Makefile.in
Executable file
112
test_problems/cathermo/wtWater/Makefile.in
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@ -0,0 +1,112 @@
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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 = testWaterPDSS
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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 = testWaterPDSS.o
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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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ifeq (@build_with_f2c@, 0)
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FORT_LIBS = @FLIBS@
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else
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FORT_LIBS =
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endif
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# the C++ compiler
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CXX = @CXX@
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# C++ compile flags
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CXX_FLAGS = @CXXFLAGS@
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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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# Dependencies for CANTERA_LIBS
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CANTERA_LIBS_DEP = @LOCAL_LIBS_DEP@ $(CANTERA_LIBDIR)/libctcxx.a
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# the directory where Cantera include files may be found.
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CANTERA_INCDIR=@ctroot@/build/include/cantera
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INCLUDES=-I$(CANTERA_INCDIR) -I$(CANTERA_INCDIR)/kernel
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# flags passed to the C++ compiler/linker for the linking step
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LCXX_FLAGS = -L$(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 $< $(INCLUDES) $(CXX_FLAGS)
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# How to compile the dependency file
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.cpp.d:
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@CXX_DEPENDS@ $(INCLUDES) $(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: $(PROGRAM) .depends
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$(PROGRAM): $(OBJS) $(CANTERA_LIBS_DEP)
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$(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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# Add an additional target for stability:
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$(OBJS): $(CANTERA_LIBDIR)/libctbase.a $(CANTERA_LIBDIR)/libthermo.a
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# depends target -> forces recalculation of dependencies
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depends:
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@MAKE@ .depends
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.depends: $(DEPENDS)
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cat $(DEPENDS) > .depends
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# Do the test -> For the windows vc++ environment, we have to skip checking on
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# whether the program is uptodate, because we don't utilize make
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# in that environment to build programs.
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test:
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ifeq ($(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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ifeq ($(wildcard .depends), .depends)
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include .depends
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endif
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33
test_problems/cathermo/wtWater/runtest
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33
test_problems/cathermo/wtWater/runtest
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#!/bin/sh
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#
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#
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temp_success="1"
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/bin/rm -f output.txt outputa.txt
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testName=testWaterPDSS
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#################################################################
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#
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#################################################################
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CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
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CANTERA_BIN=${CANTERA_BIN:=../../../bin}
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./testWaterPDSS > output.txt
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retnStat=$?
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if [ $retnStat != "0" ]
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then
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temp_success="0"
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echo "$testName returned with bad status, $retnStat, check output"
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fi
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$CANTERA_BIN/exp3to2.sh output.txt > outputa.txt
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diff -w outputa.txt output_blessed.txt > diff_test.out
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retnStat=$?
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if [ $retnStat = "0" ]
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then
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echo "successful diff comparison on $testName test"
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else
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echo "unsuccessful diff comparison on $testName test"
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echo "FAILED" > csvCode.txt
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temp_success="0"
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fi
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54
test_problems/cathermo/wtWater/waterTPphase.xml
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54
test_problems/cathermo/wtWater/waterTPphase.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 water -->
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<phase dim="3" id="water">
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<elementArray datasrc="elements.xml">O H </elementArray>
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<speciesArray datasrc="#species_data">H2O</speciesArray>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="PureLiquidWater"/>
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<kinetics 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 H2O -->
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<species name="H2O">
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<atomArray>H:2 O:1 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="273.16000000000003" P0="100000.0">
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<floatArray name="coeffs" size="7">
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4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09,
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1.771978170E-12, -3.029372670E+04, -8.490322080E-01</floatArray>
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</NASA>
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<NASA Tmax="1600.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11,
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1.682009920E-14, -3.000429710E+04, 4.966770100E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species C2F4H2 -->
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<species name="C2F4H2">
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<atomArray>H:2 C:2 F:4 </atomArray>
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<thermo>
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<const_cp Tmax="5000.0" Tmin="100.0">
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<t0 units="K">273.14999999999998</t0>
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<h0 units="J/kmol">23083414.8686</h0>
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<s0 units="J/kmol/K">167025.46599999999</s0>
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<cp0 units="J/kmol/K">0.0</cp0>
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</const_cp>
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</thermo>
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</species>
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</speciesData>
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<reactionData id="reaction_data"/>
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</ctml>
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57
test_problems/cathermo/wtWater/wtWater.cpp
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57
test_problems/cathermo/wtWater/wtWater.cpp
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/*
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* $Id: testWaterPDSS.cpp,v 1.6 2008/12/17 17:31:13 hkmoffa Exp $
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*/
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#include "ct_defs.h"
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#include "ctexceptions.h"
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#include "global.h"
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#include "xml.h"
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#include "ctml.h"
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#include "ThermoPhase.h"
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#include "VPStandardStateTP.h"
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#include "WaterSSTP.h"
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#include "WaterTransport.h"
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#include <new>
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#include <cstdio>
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using namespace std;
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using namespace Cantera;
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double tvalue(double val, double atol = 1.0E-9) {
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double rval = val;
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if (fabs(val) < atol) {
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rval = 0.0;
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}
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return rval;
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}
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int main () {
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double pres;
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try {
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WaterSSTP * w = new WaterSSTP("waterTPphase.xml", "");
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WaterTransport *wtTran = new WaterTransport(w, 3);
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//double T = 273.15 + 150.0;
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double T = 273.15 + 100.0;
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w->setState_TP(T, 1.0E7);
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double visc = wtTran->viscosity();
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printf("visc = %g\n", visc);
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delete w;
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} catch (CanteraError) {
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showErrors();
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Cantera::appdelete();
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return -1;
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}
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return 0;
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}
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