Added the first test for IAPWS

test_problems/cathermo/Makefile.in

@@ -13,6 +13,7 @@ ifeq ($(test_issp),1)
 endif
 ifeq ($(test_electrolytes),1)
 	cd ims; @MAKE@ all
+	cd testIAPWS; @MAKE@ all
 endif
 
 test:
@@ -21,6 +22,7 @@ ifeq ($(test_issp),1)
 endif
 ifeq ($(test_electrolytes),1)
 	cd ims; @MAKE@ test
+	cd testIAPWS; @MAKE@ test
 endif
 
 clean:
@@ -34,4 +36,5 @@ ifeq ($(test_issp),1)
 endif
 ifeq ($(test_electrolytes),1)
 	cd ims; @MAKE@ depends
+	cd testIAPWS; @MAKE@ depends
 endif

test_problems/cathermo/testIAPWS/.cvsignore

@@ -0,0 +1,10 @@
+testIAPWSphi
+Makefile
+output.txt
+outputa.txt
+*.d
+ .depends
+csvCode.txt
+diff_test.out
+test.diff
+test.out

test_problems/cathermo/testIAPWS/Makefile.in

@@ -0,0 +1,112 @@
+#!/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 = testIAPWSphi
+
+# the object files to be linked together. List those generated from Fortran
+# and from C/C++ separately
+OBJS = testIAPWSphi.o
+
+# Location of the current build. Will assume that tests are run
+# in the source directory tree location
+src_dir_tree = 1
+
+# 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
+INCLUDES=-I$(CANTERA_INCDIR) -I$(CANTERA_INCDIR)/thermo
+else
+CANTERA_INCDIR=@ctroot@/build/include/cantera
+INCLUDES=-I$(CANTERA_INCDIR) -I$(CANTERA_INCDIR)/kernel
+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@:
+	$(CXX) -c $< $(INCLUDES) $(CXX_FLAGS)
+
+# How to compile the dependency file
+.cpp.d:
+	g++ -MM $(INCLUDES) $(CXX_FLAGS) $*.cpp > $*.d
+
+# List of dependency files to be created
+DEPENDS=$(OBJS:.o=.d)
+
+# Program Name
+PROGRAM = $(PROG_NAME)$(EXE_EXT)
+
+all: $(PROGRAM) .depends
+
+$(PROGRAM): $(OBJS) $(CANTERA_LIBDIR)/libcantera.a \
+	     $(CANTERA_LIBDIR)/libcaThermo.a
+	$(CXX) -o $(PROGRAM) $(OBJS) $(LCXX_FLAGS) $(LINK_OPTIONS) \
+                  $(CANTERA_LIBS) @LIBS@ $(FORT_LIBS) \
+                  $(LCXX_END_LIBS)
+
+# depends target -> forces recalculation of dependencies
+depends:
+	@MAKE@ .depends
+
+.depends: $(DEPENDS)
+	cat $(DEPENDS) > .depends
+
+# Do the test -> For the windows vc++ environment, we have to skip checking on
+#                whether the program is uptodate, because we don't utilize make
+#                in that environment to build programs.
+test:
+ifeq ($(os_is_win), 1)
+else
+	@MAKE@ $(PROGRAM)
+endif
+	./runtest
+
+clean:
+	$(RM) $(OBJS) $(PROGRAM) $(DEPENDS) .depends
+	../../../bin/rm_cvsignore
+	(if test -d SunWS_cache ; then \
+           $(RM) -rf SunWS_cache ; \
+         fi )
+

test_problems/cathermo/testIAPWS/README

@@ -0,0 +1,15 @@
+
+This test is used to make sure that the basic functions in
+the water property routine satisfies the derivative tests
+specified in the paper:
+
+W. Wagner, A. Prub, "The IAPWS Formulation 1995 for the
+Thermodynamic Properties of Ordinary Water Substance
+for General and Scientific Use," J. Phys. Chem.
+Ref. Data, v. 31, 387 - 442, 2002.
+
+On page 436 of that reference, value for phi, the nondimensional
+helmholtz free energy and its first and second derivatives,
+are given at 2 representative points. This test makes sure
+that the values agree with the paper's values.
+

test_problems/cathermo/testIAPWS/output_blessed.txt

@@ -0,0 +1,14 @@
+ T = 500 K, rho = 838.025 kg m-3
+nau    =  2.0479773347960e+00		res    = -3.4269320568156e+00
+nau_d  =  3.8423674711375e-01		res_d  = -3.6436665036388e-01
+nau_dd = -1.4763787783256e-01		res_dd =  8.5606370097461e-01
+nau_t  =  9.0461110617524e+00		res_t  = -5.8140343523842e+00
+nau_tt = -1.9324918501305e+00		res_tt = -2.2344073688434e+00
+nau_dt =  0.0000000000000e+00		res_dt = -1.1217691467031e+00
+ T = 647 K, rho = 358.0 kg m-3
+nau    = -1.5631960505252e+00		res    = -1.2120265650415e+00
+nau_d  =  8.9944134078212e-01		res_d  = -7.1401202437128e-01
+nau_dd = -8.0899472550794e-01		res_dd =  4.7573069564569e-01
+nau_t  =  9.8034391793901e+00		res_t  = -3.2172250077517e+00
+nau_tt = -3.4331633414307e+00		res_tt = -9.9602950655930e+00
+nau_dt =  0.0000000000000e+00		res_dt = -1.3321472043614e+00

test_problems/cathermo/testIAPWS/runtest

@@ -0,0 +1,33 @@
+#!/bin/sh
+#
+#
+temp_success="1"
+/bin/rm  -f output.txt outputa.txt
+
+testName=testIAPWSphi
+#################################################################
+#
+#################################################################
+CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
+
+CANTERA_BIN=${CANTERA_BIN:=../../../bin}
+./testIAPWSphi > output.txt
+retnStat=$?
+if [ $retnStat != "0" ]
+then
+  temp_success="0"
+  echo "$testName returned with bad status, $retnStat, check output"
+fi
+
+$CANTERA_BIN/exp3to2.sh output.txt > outputa.txt
+diff -w outputa.txt output_blessed.txt > diff_test.out
+retnStat=$?
+if [ $retnStat = "0" ]
+then
+  echo "successful diff comparison on $testName test"
+else
+  echo "unsuccessful diff comparison on $testName test"
+  echo "FAILED" > csvCode.txt
+  temp_success="0"
+fi
+

test_problems/cathermo/testIAPWS/testIAPWSphi.cpp

@@ -0,0 +1,18 @@
+/*
+ * $Id$
+ */
+#include "stdio.h"
+#include "WaterPropsIAPWSphi.h"
+#include <new>
+using namespace std;
+
+int main () {
+
+    WaterPropsIAPWSphi *phi = new WaterPropsIAPWSphi();
+
+    phi->check1();
+    phi->check2();
+
+    delete phi;
+    return 0;
+}