From d294f181772f565c9f171189e2d6adc94fdf63b8 Mon Sep 17 00:00:00 2001
From: Harry Moffat <hkmoffa@sandia.gov>
Date: Tue, 4 Jul 2006 00:39:45 +0000
Subject: [PATCH] Triple point calcultion test routine.

---
 .../cathermo/testIAPWSTripP/.cvsignore        |  12 ++
 .../cathermo/testIAPWSTripP/Makefile.in       | 112 ++++++++++++++++++
 test_problems/cathermo/testIAPWSTripP/README  |  11 ++
 .../testIAPWSTripP/output_blessed.txt         |  19 +++
 test_problems/cathermo/testIAPWSTripP/runtest |  33 ++++++
 .../cathermo/testIAPWSTripP/testTripleP.cpp   |  77 ++++++++++++
 6 files changed, 264 insertions(+)
 create mode 100644 test_problems/cathermo/testIAPWSTripP/.cvsignore
 create mode 100755 test_problems/cathermo/testIAPWSTripP/Makefile.in
 create mode 100644 test_problems/cathermo/testIAPWSTripP/README
 create mode 100644 test_problems/cathermo/testIAPWSTripP/output_blessed.txt
 create mode 100755 test_problems/cathermo/testIAPWSTripP/runtest
 create mode 100644 test_problems/cathermo/testIAPWSTripP/testTripleP.cpp

diff --git a/test_problems/cathermo/testIAPWSTripP/.cvsignore b/test_problems/cathermo/testIAPWSTripP/.cvsignore
new file mode 100644
index 000000000..09797dfbc
--- /dev/null
+++ b/test_problems/cathermo/testIAPWSTripP/.cvsignore
@@ -0,0 +1,12 @@
+testIAPWSphi
+Makefile
+output.txt
+outputa.txt
+*.d
+ .depends
+csvCode.txt
+diff_test.out
+test.diff
+test.out
+testPress
+testTripleP
diff --git a/test_problems/cathermo/testIAPWSTripP/Makefile.in b/test_problems/cathermo/testIAPWSTripP/Makefile.in
new file mode 100755
index 000000000..1d658e1db
--- /dev/null
+++ b/test_problems/cathermo/testIAPWSTripP/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 = testTripleP
+
+# the object files to be linked together. List those generated from Fortran
+# and from C/C++ separately
+OBJS = testTripleP.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 \
+           $(RM) -rf SunWS_cache ; \
+         fi )
+
diff --git a/test_problems/cathermo/testIAPWSTripP/README b/test_problems/cathermo/testIAPWSTripP/README
new file mode 100644
index 000000000..b963c1974
--- /dev/null
+++ b/test_problems/cathermo/testIAPWSTripP/README
@@ -0,0 +1,11 @@
+
+This test is used to make sure that the basic functions in
+the water property routine satisfy tests
+specified in the paper:
+
+W. Wagner, A. Prub, "The IAPWS Formulation 1995 for the
+Thermodynamic Properties of Ordinary Water Substance
+for General and Scientific Use," J. Phys. Chem.
+Ref. Data, v. 31, 387 - 442, 2002.
+
+This routine exercises the calculation of triple point thermo properties.
diff --git a/test_problems/cathermo/testIAPWSTripP/output_blessed.txt b/test_problems/cathermo/testIAPWSTripP/output_blessed.txt
new file mode 100644
index 000000000..c7cb3c7cd
--- /dev/null
+++ b/test_problems/cathermo/testIAPWSTripP/output_blessed.txt
@@ -0,0 +1,19 @@
+psat(273.16) = 611.655
+dens (liquid) = 999.793 kg m-3
+intEng (liquid) = -1.91143e-08 J/kmol
+S (liquid) = -8.47431e-11 J/kmolK
+h (liquid) = 11.0214 J/kmol
+h (liquid) = 0.611782 J/kg
+g (liquid) = 11.0214 J/kmol
+cv (liquid) = 75978.2 J/kmolK
+cp (liquid) = 76022.8 J/kmolK
+dens (gas)    = 0.00485458 kg m-3
+intEng (gas) = 4.27848e+07 J/kmol
+S (gas) = 164939 J/kmolK
+h (gas) = 4.50547e+07 J/kmol
+h (gas) = 2.50092e+06 J/kg
+g (gas) = 11.0214 J/kmol
+cv (gas) = 25552.6 J/kmolK
+cp (gas) = 33947.1 J/kmolK
+
+Delta g = 4.13909e-06 J/kmol
diff --git a/test_problems/cathermo/testIAPWSTripP/runtest b/test_problems/cathermo/testIAPWSTripP/runtest
new file mode 100755
index 000000000..c93c2588d
--- /dev/null
+++ b/test_problems/cathermo/testIAPWSTripP/runtest
@@ -0,0 +1,33 @@
+#!/bin/sh
+#
+#
+temp_success="1"
+/bin/rm  -f output.txt outputa.txt
+
+testName=testTripleP
+#################################################################
+#
+#################################################################
+CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
+
+CANTERA_BIN=${CANTERA_BIN:=../../../bin}
+./testTripleP > output.txt
+retnStat=$?
+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
+
diff --git a/test_problems/cathermo/testIAPWSTripP/testTripleP.cpp b/test_problems/cathermo/testIAPWSTripP/testTripleP.cpp
new file mode 100644
index 000000000..70d63475a
--- /dev/null
+++ b/test_problems/cathermo/testIAPWSTripP/testTripleP.cpp
@@ -0,0 +1,77 @@
+
+#include "stdio.h"
+#include "WaterPropsIAPWS.h"
+#include <new>
+using namespace std;
+
+int main () {
+
+    double dens, u, s, h, cv, cp, pres;
+    WaterPropsIAPWS *water = new WaterPropsIAPWS();
+
+    double T;
+    double rho;
+
+
+    /* 
+     * Print out the triple point conditions
+     */
+    T = 273.16;
+    pres = water->psat(T);
+    printf("psat(%g) = %g\n", T, pres);
+
+    dens = water->density(T, pres, WATER_LIQUID);
+    printf("dens (liquid) = %g kg m-3\n", dens);
+
+    u = water->intEnergy(T, dens);
+    printf("intEng (liquid) = %g J/kmol\n", u);
+
+    s = water->entropy(T, dens);
+    printf("S (liquid) = %g J/kmolK\n", s);
+
+    h = water->enthalpy(T, dens);
+    printf("h (liquid) = %g J/kmol\n", h);
+    printf("h (liquid) = %g J/kg\n", (h)/18.015268);
+
+    double g_liq = water->Gibbs(T, dens);
+    printf("g (liquid) = %g J/kmol\n", g_liq);
+
+
+    cv = water->cv(T, dens);
+    printf("cv (liquid) = %g J/kmolK\n", cv);
+
+    cp = water->cp(T, dens);
+    printf("cp (liquid) = %g J/kmolK\n", cp);
+
+
+    dens = water->density(T, pres, WATER_GAS);
+    printf("dens (gas)    = %g kg m-3\n", dens);
+
+  
+    u = water->intEnergy(T, dens);
+    printf("intEng (gas) = %g J/kmol\n", u);
+
+    s = water->entropy(T, dens);
+    printf("S (gas) = %g J/kmolK\n", s);
+
+    h = water->enthalpy(T, dens);
+    printf("h (gas) = %g J/kmol\n", h);
+    printf("h (gas) = %g J/kg\n", (h)/18.015268);
+
+    double g_gas = water->Gibbs(T, dens);
+    printf("g (gas) = %g J/kmol\n", g_gas);
+
+
+    cv = water->cv(T, dens);
+    printf("cv (gas) = %g J/kmolK\n", cv);
+
+    cp = water->cp(T, dens);
+    printf("cp (gas) = %g J/kmolK\n", cp);
+
+    printf("\n");
+    printf("Delta g = %g J/kmol\n", g_liq - g_gas);
+ 
+
+    delete water;
+    return 0;
+}