*** empty log message ***

Cantera/clib/src/ct.cpp

@@ -493,7 +493,10 @@ extern "C" {
             equilibrate(*th(n), XY, solver, rtol, maxsteps, 
                 loglevel); return 0; 
         }
-        catch (CanteraError) {return -1;}
+        catch (CanteraError) {
+            cout << "exception caught in th_equil. returning -1." << endl;
+            return -1;
+        }
     }
 
     doublereal DLL_EXPORT th_refPressure(int n) {
@@ -1040,6 +1043,11 @@ extern "C" {
         catch (CanteraError) { return -1; }
     }
 
+    int DLL_EXPORT write_HTML_log(char* file) {
+        write_logfile(string(file));
+        return 0;
+    }
+
     int DLL_EXPORT getCanteraError(int buflen, char* buf) {
         string e; 
         e = lastErrorMessage();

Cantera/clib/src/ct.h

@@ -147,6 +147,7 @@ extern "C" {
         char* id, int validate, double threshold);
     int DLL_IMPORT getCanteraError(int buflen, char* buf);
     int DLL_IMPORT showCanteraErrors();
+    int DLL_IMPORT write_HTML_log(char* file);
     int DLL_IMPORT setLogWriter(void* logger);
     int DLL_IMPORT addCanteraDirectory(int buflen, char* buf);
     int DLL_IMPORT clearStorage();

Cantera/clib/src/ctmultiphase.cpp

@@ -96,6 +96,11 @@ extern "C" {
         return 0;
     }
 
+    int DLL_EXPORT mix_init(int i) {
+        _mix(i)->init();
+        return 0;
+    }
+
     int DLL_EXPORT mix_nElements(int i) {
         return _mix(i)->nElements();
      }

Cantera/clib/src/ctmultiphase.h

@@ -10,6 +10,7 @@ extern "C" {
     int DLL_IMPORT mix_copy(int i);
     int DLL_IMPORT mix_assign(int i, int j);
     int DLL_IMPORT mix_addPhase(int i, int j, double moles);
+    int DLL_IMPORT mix_init(int i);
     int DLL_IMPORT mix_nElements(int i);
     int DLL_IMPORT mix_elementIndex(int i, char* name);
     int DLL_IMPORT mix_speciesIndex(int i, int k, int p);

Cantera/cxx/demos/example_utils.h

@@ -49,7 +49,7 @@ void plotSoln(string fname, string fmt, string title, const G& gas, const A& sol
 
 inline void writeCanteraHeader(ostream& s) {
     s << endl;
-    s << "     Cantera version " << CANTERA_VERSION << endl;         
+    s << "     Cantera version " << "CANTERA_VERSION" << endl;         
     s << "     Copyright California Institute of Technology, 2002." << endl;
     s << "     http://www.cantera.org" << endl;
     s << endl;

Cantera/matlab/cantera/private/ctfunctions.cpp

@@ -5,8 +5,11 @@
 #include "../../../clib/src/ctxml.h"
 #include "ctmatutils.h"
 #include <string.h>
+#include <iostream>
+using namespace std;
 
 void reportError() {
+    write_HTML_log("error_log.html");
     int buflen = 0;
     char* output_buf = 0;
     buflen = getCanteraError(buflen, output_buf) + 1;

Cantera/matlab/cantera/private/mllogger.h

@@ -5,6 +5,9 @@
 #include <string>
 #include "../../../src/logger.h"
 
+#include <iostream>
+using namespace std;
+
 static std::string ss = "disp('";
 
 namespace Cantera {

Cantera/python/Cantera/mixture.py

@@ -52,9 +52,13 @@ class Mixture:
                     moles = p[1]
                 except:
                     ph = p
-                    moles = 0
+                    if p == phases[0]:
+                        moles = 1
+                    else:
+                        moles = 0
                 self._addPhase(ph, moles)
                 self._phases.append(ph)
+        _cantera.mix_init(self.__mixid)                
         self.setTemperature(self._phases[0].temperature())
         self.setPressure(self._phases[0].pressure())        
 

Cantera/python/examples/equilibrium/stoich.py

@@ -33,14 +33,15 @@ except:
     print "ChemEquil solver failed! Try the MultiPhaseEquil solver..."
     
     # Try again. Reset the gas to the initial state
-    gas.set(T = temp, P = OneAtm, X = comp)        
+    gas.set(T = temp, P = OneAtm, X = comp)
 
-    # setting parameter 'solver' to 1 requests that the
-    # MultiPhaseEquil solver be used (specifying 0 would cause
-    # ChemEquil to be used). Some other useful parameters are rtol
-    # (relative error tolerance, default = 1.0e-9), max_steps (default = 1000),
-    # loglevel (default = 0).
-    gas.equilibrate("TP", solver = 1, rtol = 1.0e-10, loglevel = 4)
+    # The MultiPhaseEquil solver is used to equilibrate 'Mixture'
+    # objects, since these may have more than one phase. Here we'll
+    # create a Mixture object containing only the gas. Some other
+    # useful parameters are rtol (relative error tolerance, default =
+    # 1.0e-9), max_steps (default = 1000), loglevel (default = 0).
+    mix = Mixture([(gas,1.0)])
+    mix.equilibrate("TP", loglevel=4)
                     
 # print a summary of the results
 print gas

Cantera/python/src/ctfuncs.cpp

@@ -86,7 +86,7 @@ ct_writelogfile(PyObject *self, PyObject *args)
 {
     int iok;
     char *logfile;
-    if (!PyArg_ParseTuple(args, "s:ck2cti", &logfile))
+    if (!PyArg_ParseTuple(args, "s:writelogfile", &logfile))
         return NULL;
     iok = writelogfile(logfile);
     if (iok == -1) { return reportCanteraError();}

Cantera/python/src/ctmultiphase_methods.cpp

@@ -38,6 +38,20 @@ py_mix_addPhase(PyObject *self, PyObject *args)
 }
 
 
+static PyObject *
+py_mix_init(PyObject *self, PyObject *args)
+{
+    int i;
+    int _val;
+    if (!PyArg_ParseTuple(args, "i:mix_init", &i)) 
+        return NULL;
+        
+    _val = mix_init(i); 
+    if (_val < 0) return reportCanteraError();
+    return Py_BuildValue("i",_val);
+}
+
+
 static PyObject *
 py_mix_nElements(PyObject *self, PyObject *args)
 {

Cantera/python/src/methods.h

@@ -257,6 +257,7 @@ static PyMethodDef ct_methods[] = {
     {"mix_new", py_mix_new, METH_VARARGS},
     {"mix_del", py_mix_del, METH_VARARGS},
     {"mix_addPhase", py_mix_addPhase, METH_VARARGS},
+    {"mix_init", py_mix_init, METH_VARARGS},
     {"mix_nElements", py_mix_nElements, METH_VARARGS},
     {"mix_elementIndex", py_mix_elementIndex, METH_VARARGS},
     {"mix_speciesIndex", py_mix_speciesIndex, METH_VARARGS},

Makefile.in

@@ -309,6 +309,8 @@ cf:
 	  gzip cantera-cf.tar; scp cantera-cf.tar.gz dggoodwin@cf-shell.sourceforge.net:cantera.tar.gz)
 	sshcf './runall' &
 
+configure: config/configure.in
+	(cd config; autoconf)
 
 #info:
 #	echo '#define CANTERA_ROOT "@prefix@/cantera"' > include/ctdir.h

config.h.in

@@ -61,6 +61,9 @@ typedef  int          ftnlen;       // Fortran hidden string length type
 #undef DARWIN
 #undef HAS_SSTREAM
 
+// Cantera version
+#undef CANTERA_VERSION
+
 // Identify whether the operating system is cygwin's overlay of
 // windows, with gcc being used as the compiler.
 #undef CYGWIN
@@ -86,6 +89,7 @@ typedef  int          ftnlen;       // Fortran hidden string length type
 //--------------------- Cantera ----------------------------------- 
 
 #undef CANTERA_ROOT
+
 // This data pathway is used to locate a directory where datafiles
 // are to be found. Note, the local directory is always searched
 // as well. 

config/configure

@@ -1353,6 +1353,10 @@ fi
 
 ctversion=${CANTERA_VERSION}
 
+cat >>confdefs.h <<_ACEOF
+#define CANTERA_VERSION $ctversion
+_ACEOF
+
 
 homedir=${HOME}
 
@@ -1829,11 +1833,7 @@ fi
 
 
 
-#
-# Fortran90 Interface
-#   Before turning on this interface, we do a rudimentary check
-#   to make sure that the F90 compiler can be found
-#
+
 BUILD_F90=1
 if test "x$BUILD_F90_INTERFACE" = "xn"; then
   BUILD_F90=0
@@ -3339,7 +3339,7 @@ echo "${ECHO_T}${has_sstream}" >&6
 #     Fortran
 #---------------------------------
 
-if test x"$build_with_f2c" = "x0"; then
+#if test x"$build_with_f2c" = "x0"; then
   ac_ext=f
 ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5'
 ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
@@ -3860,7 +3860,7 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu
 
 override_f77_libs=0;
 case $ac_sys_system in
-  Darwin*)  FLIBS='-lstdc++ -lg2c -lcc_dynamic'; override_f77_libs=1; SHARED_CTLIB=0;;
+  Darwin*)  FLIBS='-lSystem'; override_f77_libs=1; SHARED_CTLIB=0;;
 esac
 
 if test $override_f77_libs -gt 0; then
@@ -3869,13 +3869,14 @@ if test $override_f77_libs -gt 0; then
   echo     FLIBS = $FLIBS
 fi
 
-fi
+#fi
 
 #--------------------------------------------
 
 
-if test -n ${BUILD_F90}; then
+if test "x${BUILD_F90}" != "x0"; then
   echo F90 = $F90
+  echo BUILD_F90 = $BUILD_F90
   if test "$F90" = "default" -o \
           "$F90"x = "x"; then
     for ac_prog in f95 gfortran g95
@@ -3938,7 +3939,7 @@ f90type=none
 f90_module_dir='-I'
 f90_opts=''
 
-if test -n ${BUILD_F90}; then
+if test "x${BUILD_F90}" != "x0"; then
   echo "$as_me:$LINENO: checking Fortran 90 compiler ($F90) type" >&5
 echo $ECHO_N "checking Fortran 90 compiler ($F90) type... $ECHO_C" >&6
   cat >> testf90.f90 << EOF
@@ -3970,9 +3971,9 @@ EOF
     f90type="g95"
     f90opts="-fno-second-underscore -I. -I${ct_incdir}"
     f90buildopts="-fno-second-underscore -I."
-    case $ac_sys_system in
-      Darwin*)  FLIBS='-lg2c -lcc_dynamic';;
-    esac
+    #case $ac_sys_system in
+    #  Darwin*)  FLIBS='-lg2c -lcc_dynamic';;
+    #esac
   fi
 
   msg=`${F90} -V &> f90out`

config/configure.in

@@ -109,6 +109,7 @@ AC_SUBST(python_win_prefix)
 
 ctversion=${CANTERA_VERSION}
 AC_SUBST(ctversion)
+AC_DEFINE_UNQUOTED(CANTERA_VERSION,$ctversion)
 
 homedir=${HOME}
 AC_SUBST(homedir)
@@ -474,11 +475,7 @@ AC_SUBST(LOCAL_LIBS)
 
 AC_SUBST(CT_SHARED_LIB)
 
-#
-# Fortran90 Interface
-#   Before turning on this interface, we do a rudimentary check
-#   to make sure that the F90 compiler can be found 
-#
+
 BUILD_F90=1
 if test "x$BUILD_F90_INTERFACE" = "xn"; then
   BUILD_F90=0
@@ -624,7 +621,7 @@ AC_MSG_RESULT(${has_sstream})
 #     Fortran
 #---------------------------------
 
-if test x"$build_with_f2c" = "x0"; then
+#if test x"$build_with_f2c" = "x0"; then
   AC_PROG_F77()
 
 # if G77 is defined, then add a flag to turn off adding a second underscore
@@ -638,7 +635,7 @@ AC_F77_LIBRARY_LDFLAGS()
 
 override_f77_libs=0;
 case $ac_sys_system in
-  Darwin*)  FLIBS='-lstdc++ -lg2c -lcc_dynamic'; override_f77_libs=1; SHARED_CTLIB=0;;
+  Darwin*)  FLIBS='-lSystem'; override_f77_libs=1; SHARED_CTLIB=0;;
 esac
 
 if test $override_f77_libs -gt 0; then
@@ -647,13 +644,12 @@ if test $override_f77_libs -gt 0; then
   echo     FLIBS = $FLIBS
 fi
 
-fi
+#fi
 
 #--------------------------------------------
 
 
-if test  ${BUILD_F90} = "1"; then
-  echo F90 = $F90
+if test "x${BUILD_F90}" != "x0"; then
   if test "$F90" = "default" -o \
           "$F90"x = "x"; then
     AC_PATH_PROGS(F90, f95 gfortran g95, "none")
@@ -672,7 +668,7 @@ f90type=none
 f90_module_dir='-I'
 f90_opts=''
 
-if test ${BUILD_F90} = "1" ; then
+if test "x${BUILD_F90}" != "x0"; then
   AC_MSG_CHECKING(Fortran 90 compiler ($F90) type)
   cat >> testf90.f90 << EOF
 module mt
@@ -703,9 +699,9 @@ EOF
     f90type="g95"
     f90opts="-fno-second-underscore -I. -I${ct_incdir}"
     f90buildopts="-fno-second-underscore -I."
-    case $ac_sys_system in
-      Darwin*)  FLIBS='-lg2c -lcc_dynamic';;
-    esac
+    #case $ac_sys_system in
+    #  Darwin*)  FLIBS='-lg2c -lcc_dynamic';;
+    #esac
   fi
 
   msg=`${F90} -V &> f90out`

configure

@@ -309,7 +309,7 @@ FFLAGS=${FFLAGS:='-O3 -g'}
 
 # the additional Fortran flags required for linking, if any. Leave commented
 # out if no additional flags are required.
-LFORT_FLAGS="-lcc_dynamic"
+#LFORT_FLAGS="-lcc_dynamic"
 
 
 #------------------------------------------------------

examples/cxx/example_utils.h

@@ -50,7 +50,7 @@ void plotSoln(string fname, string fmt, string title, const G& gas, const A& sol
 
 inline void writeCanteraHeader(ostream& s) {
     s << endl;
-    s << "     Cantera version " << CANTERA_VERSION << endl;         
+    s << "     Cantera version " << "CANTERA_VERSION" << endl;         
     s << "     Copyright California Institute of Technology, 2002." << endl;
     s << "     http://www.cantera.org" << endl;
     s << endl;

ext/f2c_libs/arith.h

@@ -1,2 +1,4 @@
-#define IEEE_8087
-#define Arith_Kind_ASL 1
+#define IEEE_MC68k
+#define Arith_Kind_ASL 2
+#define Double_Align
+#define NANCHECK

test_problems/python/runtest

@@ -28,7 +28,7 @@ PYTHON_CMD=${FIRSTARG:=PYTHON_CMDA}
 
 #echo $PYTHON_CMD
 
-$PYTHON_CMD ../../Cantera/python/examples/flame1.py > flame1.out
+$PYTHON_CMD ../../Cantera/python/examples/flames/flame1.py > flame1.out
 retnStat=$?
 if [ $retnStat != "0" ]
 then
@@ -36,7 +36,7 @@ then
   echo "flame1.py returned with bad status, $retnStat, check output"
 fi
 
-$PYTHON_CMD ../../Cantera/python/examples/diamond.py > diamond.out
+$PYTHON_CMD ../../Cantera/python/examples/surface_chemistry/diamond.py > diamond.out
 retnStat=$?
 if [ $retnStat != "0" ]
 then

tools/templates/f77/demo_ftnlib.cpp

@@ -32,6 +32,7 @@
 #endif
 
 // add any other Cantera header files you need here
+#include <cantera/Cantera.h>
 #include <cantera/IdealGasMix.h>