All Debye-Huckel tests use a shared copy of the test executable

test_problems/SConscript

@@ -107,31 +107,37 @@ class CompileAndTest(Test):
         return Test.clean(self, env, files=files)
 
 
-CompileAndTest('DH_graph_1',
+dhGraph = localenv.Program('cathermo/DH_graph_1/DH_graph_1',
-               pjoin('cathermo', 'DH_graph_1'),
+                           mglob(env, 'cathermo/DH_graph_1', 'cpp'),
-               'DH_graph_1', 'DH_NaCl_dilute_blessed.csv',
+                           LIBS=env['cantera_libs'])
-               artifacts=['DH_graph_1.log'],
+dhGraph_name = dhGraph[0].name
-               arguments='DH_NaCl_dilute.xml')
+
-CompileAndTest('DH_graph_acommon',
+Test('DH_graph_dilute',
-               pjoin('cathermo', 'DH_graph_acommon'),
+     pjoin('cathermo', 'DH_graph_1'),
-               'DH_graph_acommon', 'DH_NaCl_acommon_blessed.csv',
+     dhGraph, 'DH_NaCl_dilute_blessed.csv',
-               artifacts=['DH_graph_1.log'],
+     artifacts=['DH_graph_1.log', dhGraph_name],
-               arguments='DH_NaCl_acommon.xml')
+     arguments='DH_NaCl_dilute.xml')
-CompileAndTest('DH_graph_bdotak',
+Test('DH_graph_acommon',
-               pjoin('cathermo', 'DH_graph_bdotak'),
+     pjoin('cathermo', 'DH_graph_1'),
-               'DH_graph_bdotak', 'DH_NaCl_bdotak_blessed.csv',
+     dhGraph, 'DH_NaCl_acommon_blessed.csv',
-               artifacts=['DH_graph_1.log'],
+     artifacts=['DH_graph_1.log', dhGraph_name],
-               arguments='DH_NaCl_bdotak.xml')
+     arguments='DH_NaCl_acommon.xml')
-CompileAndTest('DH_graph_NM',
+Test('DH_graph_bdotak',
-               pjoin('cathermo', 'DH_graph_NM'),
+     pjoin('cathermo', 'DH_graph_1'),
-               'DH_graph_NM', 'DH_NaCl_NM_blessed.csv',
+     dhGraph, 'DH_NaCl_bdotak_blessed.csv',
-               artifacts=['DH_graph_1.log'],
+     artifacts=['DH_graph_1.log', dhGraph_name],
-               arguments='DH_NaCl_NM.xml')
+     arguments='DH_NaCl_bdotak.xml')
-CompileAndTest('DH_graph_Pitzer',
+Test('DH_graph_NM',
-               pjoin('cathermo', 'DH_graph_Pitzer'),
+     pjoin('cathermo', 'DH_graph_1'),
-               'DH_graph_Pitzer', 'DH_NaCl_Pitzer_blessed.csv',
+     dhGraph, 'DH_NaCl_NM_blessed.csv',
-               artifacts=['DH_graph_1.log'],
+     artifacts=['DH_graph_1.log', dhGraph_name],
-               arguments='DH_NaCl_Pitzer.xml')
+     arguments='DH_NaCl_NM.xml')
+Test('DH_graph_Pitzer',
+     pjoin('cathermo', 'DH_graph_1'),
+     dhGraph, 'DH_NaCl_Pitzer_blessed.csv',
+     artifacts=['DH_graph_1.log', dhGraph_name],
+     arguments='DH_NaCl_Pitzer.xml')
+
 CompileAndTest('HMW_dupl_test',
                pjoin('cathermo', 'HMW_dupl_test'),
                'HMW_dupl_test', 'output_blessed.txt',

test_problems/cathermo/DH_graph_1/DH_graph_1.cpp

@@ -10,8 +10,6 @@
 using namespace std;
 using namespace Cantera;
 
-typedef double doublereal;
-
 void printUsage()
 {
     cout << "usage: DH_test " <<  endl;

test_problems/cathermo/DH_graph_NM/DH_graph_1.cpp

@@ -1,116 +0,0 @@
-/**
- *  @file DH_graph_1
- */
-
-#include "fileLog.h"
-#include "cantera/thermo/DebyeHuckel.h"
-
-#include <cstdio>
-
-using namespace std;
-using namespace Cantera;
-
-void printUsage()
-{
-    cout << "usage: DH_test " <<  endl;
-    cout <<"                -> Everything is hardwired" << endl;
-}
-
-void pAtable(DebyeHuckel* DH)
-{
-    int nsp = DH->nSpecies();
-    double acMol[100];
-    double mf[100];
-    double activities[100];
-    double moll[100];
-
-    DH->getMolalityActivityCoefficients(acMol);
-    DH->getMoleFractions(mf);
-    DH->getActivities(activities);
-    DH->getMolalities(moll);
-    string sName;
-    printf("            Name      Activity  ActCoeffMolal "
-           "   MoleFract      Molality\n");
-    for (int k = 0; k < nsp; k++) {
-        sName = DH->speciesName(k);
-        printf("%16s %13g %13g %13g %13g\n",
-               sName.c_str(), activities[k], acMol[k], mf[k], moll[k]);
-    }
-}
-
-int main(int argc, char** argv)
-{
-
-    int retn = 0;
-    int i;
-    string fName = "DH_graph_1.log";
-    fileLog* fl = new fileLog(fName);
-    try {
-
-        char iFile[80];
-        strcpy(iFile, "DH_NaCl.xml");
-        if (argc > 1) {
-            strcpy(iFile, argv[1]);
-        }
-        setLogger(fl);
-
-        DebyeHuckel* DH = new DebyeHuckel(iFile, "NaCl_electrolyte");
-
-        int nsp = DH->nSpecies();
-        double acMol[100];
-        double mf[100];
-        double moll[100];
-        DH->getMoleFractions(mf);
-        string sName;
-
-        DH->setState_TP(298.15, 1.01325E5);
-
-        int i1 = DH->speciesIndex("Na+");
-        int i2 = DH->speciesIndex("Cl-");
-        int i3 = DH->speciesIndex("H2O(L)");
-        for (i = 1; i < nsp; i++) {
-            moll[i] = 0.0;
-        }
-        DH->setMolalities(moll);
-        double Itop = 10.;
-        double Ibot = 0.0;
-        double ISQRTtop = sqrt(Itop);
-        double ISQRTbot = sqrt(Ibot);
-        double ISQRT;
-        double Is = 0.0;
-        int its = 100;
-        printf("              Is,     sqrtIs,     meanAc,"
-               "  log10(meanAC),     acMol_Na+,"
-               ",     acMol_Cl-,   ac_Water\n");
-        for (i = 0; i < its; i++) {
-            ISQRT = ISQRTtop*((double)i)/(its - 1.0)
-                    + ISQRTbot*(1.0 - (double)i/(its - 1.0));
-            Is = ISQRT * ISQRT;
-            moll[i1] = Is;
-            moll[i2] = Is;
-            DH->setMolalities(moll);
-            DH->getMolalityActivityCoefficients(acMol);
-            double meanAC = sqrt(acMol[i1] * acMol[i2]);
-            printf("%15g, %15g, %15g, %15g, %15g, %15g, %15g\n",
-                   Is, ISQRT, meanAC, log10(meanAC),
-                   acMol[i1], acMol[i2], acMol[i3]);
-        }
-
-
-        delete DH;
-        DH = 0;
-        /*
-         * This delete the file logger amongst other things.
-         */
-        Cantera::appdelete();
-
-        return retn;
-
-    } catch (CanteraError) {
-        showErrors();
-        if (fl) {
-            delete fl;
-        }
-        return -1;
-    }
-}

test_problems/cathermo/DH_graph_NM/Makefile.am

@@ -1,23 +0,0 @@
-cc_sources = DH_graph_1.cpp
-
-INC                  = -I. -I$(top_builddir)/build/include/
-AM_CPPFLAGS          = $(INC)
-AM_CXXFLAGS          = $(AM_CPPFLAGS)
-
-LINK                 = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo 
-LINK                += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode 
-LINK                += -lctlapack -lctblas -lctf2c -lm -lstdc++
-AM_LDFLAGS           = -L$(top_builddir)/build/lib/ 
-LIBS                 =  $(LINK)
-
-bin_PROGRAMS         = DH_graph_1
-library_includedir   = $(INC)
-
-#-----------------------
-# Cantera DH graph test
-#-----------------------
-
-DH_graph_1_SOURCES = $(cc_sources)
-
-TESTS_ENVIRONMENT = 
-TESTS             = runtest

test_problems/cathermo/DH_graph_NM/runtest

@@ -1,42 +0,0 @@
-#!/bin/sh
-#
-# run_test
-#
-##########################################################################
-# A couple of validity checks
-if test ! $# -eq 0 ; then
-   echo 'usage: runtest'
-   echo '    '
-   exit -1
-fi
-
-temp_success="0"
-/bin/rm  -f output.txt outputa.txt
-##########################################################################
-CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
-
-CANTERA_BIN=${CANTERA_BIN:=../../../bin}
-
-prog=DH_graph_1
-if test ! -x $prog ; then
-   echo $prog ' does not exist'
-   exit -1
-fi
-
-##########################################################################
-/bin/rm -f test.out test.diff DH_NaCl_NM.csv
-
-./$prog  DH_NaCl_NM.xml > DH_NaCl_NM.csv
-retnStat=$?
-diff DH_NaCl_NM.csv DH_NaCl_NM_blessed.csv > output.txt
-zres=$?
-if test "$zres" = "0"  -a "$retnStat" = "0"; then
-  echo "successful diff comparison on $prog NM  test"
-  return 0
-else
-  echo "unsuccessful diff comparison on $prog NM test"
-  echo "FAILED" > csvCode.txt
-  temp_success="0"
-  return 1
-fi
-

test_problems/cathermo/DH_graph_Pitzer/DH_graph_1.cpp

@@ -1,116 +0,0 @@
-/**
- *  @file DH_graph_1
- */
-
-#include "fileLog.h"
-#include "cantera/thermo/DebyeHuckel.h"
-
-#include <cstdio>
-
-using namespace std;
-using namespace Cantera;
-
-void printUsage()
-{
-    cout << "usage: DH_test " <<  endl;
-    cout <<"                -> Everything is hardwired" << endl;
-}
-
-void pAtable(DebyeHuckel* DH)
-{
-    int nsp = DH->nSpecies();
-    double acMol[100];
-    double mf[100];
-    double activities[100];
-    double moll[100];
-
-    DH->getMolalityActivityCoefficients(acMol);
-    DH->getMoleFractions(mf);
-    DH->getActivities(activities);
-    DH->getMolalities(moll);
-    string sName;
-    printf("            Name      Activity  ActCoeffMolal "
-           "   MoleFract      Molality\n");
-    for (int k = 0; k < nsp; k++) {
-        sName = DH->speciesName(k);
-        printf("%16s %13g %13g %13g %13g\n",
-               sName.c_str(), activities[k], acMol[k], mf[k], moll[k]);
-    }
-}
-
-int main(int argc, char** argv)
-{
-
-    int retn = 0;
-    int i;
-    string fName = "DH_graph_1.log";
-    fileLog* fl = new fileLog(fName);
-    try {
-
-        char iFile[80];
-        strcpy(iFile, "DH_NaCl.xml");
-        if (argc > 1) {
-            strcpy(iFile, argv[1]);
-        }
-        setLogger(fl);
-
-        DebyeHuckel* DH = new DebyeHuckel(iFile, "NaCl_electrolyte");
-
-        int nsp = DH->nSpecies();
-        double acMol[100];
-        double mf[100];
-        double moll[100];
-        DH->getMoleFractions(mf);
-        string sName;
-
-        DH->setState_TP(298.15, 1.01325E5);
-
-        int i1 = DH->speciesIndex("Na+");
-        int i2 = DH->speciesIndex("Cl-");
-        int i3 = DH->speciesIndex("H2O(L)");
-        for (i = 1; i < nsp; i++) {
-            moll[i] = 0.0;
-        }
-        DH->setMolalities(moll);
-        double Itop = 10.;
-        double Ibot = 0.0;
-        double ISQRTtop = sqrt(Itop);
-        double ISQRTbot = sqrt(Ibot);
-        double ISQRT;
-        double Is = 0.0;
-        int its = 100;
-        printf("              Is,     sqrtIs,     meanAc,"
-               "  log10(meanAC),     acMol_Na+,"
-               ",     acMol_Cl-,   ac_Water\n");
-        for (i = 0; i < its; i++) {
-            ISQRT = ISQRTtop*((double)i)/(its - 1.0)
-                    + ISQRTbot*(1.0 - (double)i/(its - 1.0));
-            Is = ISQRT * ISQRT;
-            moll[i1] = Is;
-            moll[i2] = Is;
-            DH->setMolalities(moll);
-            DH->getMolalityActivityCoefficients(acMol);
-            double meanAC = sqrt(acMol[i1] * acMol[i2]);
-            printf("%15g, %15g, %15g, %15g, %15g, %15g, %15g\n",
-                   Is, ISQRT, meanAC, log10(meanAC),
-                   acMol[i1], acMol[i2], acMol[i3]);
-        }
-
-
-        delete DH;
-        DH = 0;
-        /*
-         * This delete the file logger amongst other things.
-         */
-        Cantera::appdelete();
-
-        return retn;
-
-    } catch (CanteraError) {
-        showErrors();
-        if (fl) {
-            delete fl;
-        }
-        return -1;
-    }
-}

test_problems/cathermo/DH_graph_Pitzer/Makefile.am

@@ -1,23 +0,0 @@
-cc_sources = DH_graph_1.cpp
-
-INC                  = -I. -I$(top_builddir)/build/include/
-AM_CPPFLAGS          = $(INC)
-AM_CXXFLAGS          = $(AM_CPPFLAGS)
-
-LINK                 = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo 
-LINK                += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode 
-LINK                += -lctlapack -lctblas -lctf2c -lm -lstdc++
-AM_LDFLAGS           = -L$(top_builddir)/build/lib/ 
-LIBS                 =  $(LINK)
-
-bin_PROGRAMS         = DH_graph_1
-library_includedir   = $(INC)
-
-#-----------------------
-# Cantera DH graph test
-#-----------------------
-
-DH_graph_1_SOURCES = $(cc_sources)
-
-TESTS_ENVIRONMENT = 
-TESTS             = runtest

test_problems/cathermo/DH_graph_Pitzer/runtest

@@ -1,42 +0,0 @@
-#!/bin/sh
-#
-# run_test
-#
-##########################################################################
-# A couple of validity checks
-if test ! $# -eq 0 ; then
-   echo 'usage: runtest'
-   echo '    '
-   exit -1
-fi
-
-temp_success="0"
-/bin/rm  -f output.txt outputa.txt
-##########################################################################
-CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
-
-CANTERA_BIN=${CANTERA_BIN:=../../../bin}
-
-prog=DH_graph_1
-if test ! -x $prog ; then
-   echo $prog ' does not exist'
-   exit -1
-fi
-
-##########################################################################
-/bin/rm -f test.out test.diff DH_NaCl_Pitzer.csv
-
-./$prog  DH_NaCl_Pitzer.xml > DH_NaCl_Pitzer.csv
-retnStat=$?
-diff DH_NaCl_Pitzer.csv DH_NaCl_Pitzer_blessed.csv > output.txt
-zres=$?
-if test "$zres" = "0"  -a "$retnStat" = "0"; then
-  echo "successful diff comparison on $prog Pitzer test"
-  return 0
-else
-  echo "unsuccessful diff comparison on $prog Pitzer test"
-  echo "FAILED" > csvCode.txt
-  temp_success="0"
-  return 1
-fi
-

test_problems/cathermo/DH_graph_acommon/DH_graph_1.cpp

@@ -1,116 +0,0 @@
-/**
- *  @file DH_graph_1
- */
-
-#include "fileLog.h"
-#include "cantera/thermo/DebyeHuckel.h"
-
-#include <cstdio>
-
-using namespace std;
-using namespace Cantera;
-
-void printUsage()
-{
-    cout << "usage: DH_test " <<  endl;
-    cout <<"                -> Everything is hardwired" << endl;
-}
-
-void pAtable(DebyeHuckel* DH)
-{
-    int nsp = DH->nSpecies();
-    double acMol[100];
-    double mf[100];
-    double activities[100];
-    double moll[100];
-
-    DH->getMolalityActivityCoefficients(acMol);
-    DH->getMoleFractions(mf);
-    DH->getActivities(activities);
-    DH->getMolalities(moll);
-    string sName;
-    printf("            Name      Activity  ActCoeffMolal "
-           "   MoleFract      Molality\n");
-    for (int k = 0; k < nsp; k++) {
-        sName = DH->speciesName(k);
-        printf("%16s %13g %13g %13g %13g\n",
-               sName.c_str(), activities[k], acMol[k], mf[k], moll[k]);
-    }
-}
-
-int main(int argc, char** argv)
-{
-
-    int retn = 0;
-    int i;
-    string fName = "DH_graph_1.log";
-    fileLog* fl = new fileLog(fName);
-    try {
-
-        char iFile[80];
-        strcpy(iFile, "DH_NaCl.xml");
-        if (argc > 1) {
-            strcpy(iFile, argv[1]);
-        }
-        setLogger(fl);
-
-        DebyeHuckel* DH = new DebyeHuckel(iFile, "NaCl_electrolyte");
-
-        int nsp = DH->nSpecies();
-        double acMol[100];
-        double mf[100];
-        double moll[100];
-        DH->getMoleFractions(mf);
-        string sName;
-
-        DH->setState_TP(298.15, 1.01325E5);
-
-        int i1 = DH->speciesIndex("Na+");
-        int i2 = DH->speciesIndex("Cl-");
-        int i3 = DH->speciesIndex("H2O(L)");
-        for (i = 1; i < nsp; i++) {
-            moll[i] = 0.0;
-        }
-        DH->setMolalities(moll);
-        double Itop = 10.;
-        double Ibot = 0.0;
-        double ISQRTtop = sqrt(Itop);
-        double ISQRTbot = sqrt(Ibot);
-        double ISQRT;
-        double Is = 0.0;
-        int its = 100;
-        printf("              Is,     sqrtIs,     meanAc,"
-               "  log10(meanAC),     acMol_Na+,"
-               ",     acMol_Cl-,   ac_Water\n");
-        for (i = 0; i < its; i++) {
-            ISQRT = ISQRTtop*((double)i)/(its - 1.0)
-                    + ISQRTbot*(1.0 - (double)i/(its - 1.0));
-            Is = ISQRT * ISQRT;
-            moll[i1] = Is;
-            moll[i2] = Is;
-            DH->setMolalities(moll);
-            DH->getMolalityActivityCoefficients(acMol);
-            double meanAC = sqrt(acMol[i1] * acMol[i2]);
-            printf("%15g, %15g, %15g, %15g, %15g, %15g, %15g\n",
-                   Is, ISQRT, meanAC, log10(meanAC),
-                   acMol[i1], acMol[i2], acMol[i3]);
-        }
-
-
-        delete DH;
-        DH = 0;
-        /*
-         * This delete the file logger amongst other things.
-         */
-        Cantera::appdelete();
-
-        return retn;
-
-    } catch (CanteraError) {
-        showErrors();
-        if (fl) {
-            delete fl;
-        }
-        return -1;
-    }
-}

test_problems/cathermo/DH_graph_acommon/Makefile.am

@@ -1,23 +0,0 @@
-cc_sources = DH_graph_1.cpp
-
-INC                  = -I. -I$(top_builddir)/build/include/
-AM_CPPFLAGS          = $(INC)
-AM_CXXFLAGS          = $(AM_CPPFLAGS)
-
-LINK                 = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo 
-LINK                += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode 
-LINK                += -lctlapack -lctblas -lctf2c -lm -lstdc++
-AM_LDFLAGS           = -L$(top_builddir)/build/lib/ 
-LIBS                 =  $(LINK)
-
-bin_PROGRAMS         = DH_graph_1
-library_includedir   = $(INC)
-
-#-----------------------
-# Cantera DH graph test
-#-----------------------
-
-DH_graph_1_SOURCES = $(cc_sources)
-
-TESTS_ENVIRONMENT = 
-TESTS             = runtest

test_problems/cathermo/DH_graph_acommon/runtest

@@ -1,42 +0,0 @@
-#!/bin/sh
-#
-# run_test
-#
-##########################################################################
-# A couple of validity checks
-if test ! $# -eq 0 ; then
-   echo 'usage: runtest'
-   echo '    '
-   exit -1
-fi
-
-temp_success="0"
-/bin/rm  -f output.txt outputa.txt
-##########################################################################
-CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
-
-CANTERA_BIN=${CANTERA_BIN:=../../../bin}
-
-prog=DH_graph_1
-if test ! -x $prog ; then
-   echo $prog ' does not exist'
-   exit -1
-fi
-
-##########################################################################
-/bin/rm -f test.out test.diff DH_NaCl_acommon.csv
-
-./$prog  DH_NaCl_acommon.xml > DH_NaCl_acommon.csv
-retnStat=$?
-diff DH_NaCl_acommon.csv DH_NaCl_acommon_blessed.csv > output.txt
-zres=$?
-if test "$zres" = "0"  -a "$retnStat" = "0"; then
-  echo "successful diff comparison on $prog _acommon test"
-  return 0
-else
-  echo "unsuccessful diff comparison on $prog _acommon test"
-  echo "FAILED" > csvCode.txt
-  temp_success="0"
-  return 1
-fi
-

test_problems/cathermo/DH_graph_bdotak/DH_graph_1.cpp

@@ -1,116 +0,0 @@
-/**
- *  @file DH_graph_1
- */
-
-#include "fileLog.h"
-#include "cantera/thermo/DebyeHuckel.h"
-
-#include <cstdio>
-
-using namespace std;
-using namespace Cantera;
-
-void printUsage()
-{
-    cout << "usage: DH_test " <<  endl;
-    cout <<"                -> Everything is hardwired" << endl;
-}
-
-void pAtable(DebyeHuckel* DH)
-{
-    int nsp = DH->nSpecies();
-    double acMol[100];
-    double mf[100];
-    double activities[100];
-    double moll[100];
-
-    DH->getMolalityActivityCoefficients(acMol);
-    DH->getMoleFractions(mf);
-    DH->getActivities(activities);
-    DH->getMolalities(moll);
-    string sName;
-    printf("            Name      Activity  ActCoeffMolal "
-           "   MoleFract      Molality\n");
-    for (int k = 0; k < nsp; k++) {
-        sName = DH->speciesName(k);
-        printf("%16s %13g %13g %13g %13g\n",
-               sName.c_str(), activities[k], acMol[k], mf[k], moll[k]);
-    }
-}
-
-int main(int argc, char** argv)
-{
-
-    int retn = 0;
-    int i;
-    string fName = "DH_graph_1.log";
-    fileLog* fl = new fileLog(fName);
-    try {
-
-        char iFile[80];
-        strcpy(iFile, "DH_NaCl.xml");
-        if (argc > 1) {
-            strcpy(iFile, argv[1]);
-        }
-        setLogger(fl);
-
-        DebyeHuckel* DH = new DebyeHuckel(iFile, "NaCl_electrolyte");
-
-        int nsp = DH->nSpecies();
-        double acMol[100];
-        double mf[100];
-        double moll[100];
-        DH->getMoleFractions(mf);
-        string sName;
-
-        DH->setState_TP(298.15, 1.01325E5);
-
-        int i1 = DH->speciesIndex("Na+");
-        int i2 = DH->speciesIndex("Cl-");
-        int i3 = DH->speciesIndex("H2O(L)");
-        for (i = 1; i < nsp; i++) {
-            moll[i] = 0.0;
-        }
-        DH->setMolalities(moll);
-        double Itop = 10.;
-        double Ibot = 0.0;
-        double ISQRTtop = sqrt(Itop);
-        double ISQRTbot = sqrt(Ibot);
-        double ISQRT;
-        double Is = 0.0;
-        int its = 100;
-        printf("              Is,     sqrtIs,     meanAc,"
-               "  log10(meanAC),     acMol_Na+,"
-               ",     acMol_Cl-,   ac_Water\n");
-        for (i = 0; i < its; i++) {
-            ISQRT = ISQRTtop*((double)i)/(its - 1.0)
-                    + ISQRTbot*(1.0 - (double)i/(its - 1.0));
-            Is = ISQRT * ISQRT;
-            moll[i1] = Is;
-            moll[i2] = Is;
-            DH->setMolalities(moll);
-            DH->getMolalityActivityCoefficients(acMol);
-            double meanAC = sqrt(acMol[i1] * acMol[i2]);
-            printf("%15g, %15g, %15g, %15g, %15g, %15g, %15g\n",
-                   Is, ISQRT, meanAC, log10(meanAC),
-                   acMol[i1], acMol[i2], acMol[i3]);
-        }
-
-
-        delete DH;
-        DH = 0;
-        /*
-         * This delete the file logger amongst other things.
-         */
-        Cantera::appdelete();
-
-        return retn;
-
-    } catch (CanteraError) {
-        showErrors();
-        if (fl) {
-            delete fl;
-        }
-        return -1;
-    }
-}

test_problems/cathermo/DH_graph_bdotak/Makefile.am

@@ -1,23 +0,0 @@
-cc_sources = DH_graph_1.cpp
-
-INC                  = -I. -I$(top_builddir)/build/include/
-AM_CPPFLAGS          = $(INC)
-AM_CXXFLAGS          = $(AM_CPPFLAGS)
-
-LINK                 = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo 
-LINK                += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode 
-LINK                += -lctlapack -lctblas -lctf2c -lm -lstdc++
-AM_LDFLAGS           = -L$(top_builddir)/build/lib/ 
-LIBS                 =  $(LINK)
-
-bin_PROGRAMS         = DH_graph_1
-library_includedir   = $(INC)
-
-#-----------------------
-# Cantera DH graph test
-#-----------------------
-
-DH_graph_1_SOURCES = $(cc_sources)
-
-TESTS_ENVIRONMENT = 
-TESTS             = runtest

test_problems/cathermo/DH_graph_bdotak/runtest

@@ -1,42 +0,0 @@
-#!/bin/sh
-#
-# run_test
-#
-##########################################################################
-# A couple of validity checks
-if test ! $# -eq 0 ; then
-   echo 'usage: runtest'
-   echo '    '
-   exit -1
-fi
-
-temp_success="0"
-/bin/rm  -f output.txt outputa.txt
-##########################################################################
-CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
-
-CANTERA_BIN=${CANTERA_BIN:=../../../bin}
-
-prog=DH_graph_1
-if test ! -x $prog ; then
-   echo $prog ' does not exist'
-   exit -1
-fi
-
-##########################################################################
-/bin/rm -f test.out test.diff DH_NaCl_bdotak.csv
-
-./$prog  DH_NaCl_bdotak.xml > DH_NaCl_bdotak.csv
-retnStat=$?
-diff DH_NaCl_bdotak.csv DH_NaCl_bdotak_blessed.csv > output.txt
-zres=$?
-if test "$zres" = "0"  -a "$retnStat" = "0"; then
-  echo "successful diff comparison on $prog bdotak test"
-  return 0
-else
-  echo "unsuccessful diff comparison on $prog bdotak test"
-  echo "FAILED" > csvCode.txt
-  temp_success="0"
-  return 1
-fi
-