Adding in another test problem

test_problems/python/Makefile.in

@@ -4,11 +4,13 @@
 test:
 	./runtest @PYTHON_CMD@
 	@cd tut1; ./runtest @PYTHON_CMD@
+	@cd tut2; ./runtest @PYTHON_CMD@
 
 # clean target -> clean up
 clean:
 	../../bin/rm_cvsignore
 	cd tut1; ./cleanup
+	cd tut2; ./cleanup
 
 depends:
 

test_problems/python/tut2/.cvsignore

@@ -0,0 +1,6 @@
+csvCode.txt  
+ct2ctml.log
+diff_test.out  
+gri30.xml
+output.txt
+diamond.xml

test_problems/python/tut2/cleanup

@@ -0,0 +1,2 @@
+#!/bin/sh
+/bin/rm -f csvCode.txt ct2ctml.log diff_test.out output.txt gri30.xml

test_problems/python/tut2/output_blessed.txt

@@ -0,0 +1,8 @@
+
+
+    Tutorial 2: Using your own reaction mechanism files
+
+
+[ 0.9  0.1  0.   0.   0.   0.   0.   0. ]
+[ -5.87904205e+007   9.54334644e+007              -inf              -inf
+                   -inf              -inf              -inf              -inf]

test_problems/python/tut2/runtest

@@ -0,0 +1,76 @@
+#!/bin/sh
+#
+#
+if test "$#" -ge "2" ; then
+  echo "runtest ERROR: program requires one argument."
+  echo "        runtest PYTHON_CMD"
+  exit 0
+fi
+
+temp_success="1"
+/bin/rm  -f output.txt  diff_test.out csvCode.txt ct2ctml.log \
+            gri30.xml
+
+testName=tut2
+#################################################################
+#
+#################################################################
+#
+# Try to create a default python executable location if no
+# argument to runtest is supplied.
+#
+if test -z "$PYTHON_CMD" ; then
+  if test -z "$PYTHONHOME" ; then
+    PYTHON_CMDA=python
+  else
+    PYTHON_CMDA=$PYTHONHOME/bin/python
+  fi
+else
+  PYTHON_CMDA=$PYTHON_CMD
+fi
+FIRSTARG=$1
+PYTHON_CMDB=${FIRSTARG:=$PYTHON_CMDA}
+
+#
+# Check to see whether the python executable exists in the
+# current user path
+#
+locThere=`which $PYTHON_CMDB 2>&1`
+isThere=$?
+if test "$isThere" != "0" ; then
+  echo 'Can not find the python executable: ' $PYTHON_CMDB
+  echo ' '
+  echo $locThere
+  exit 1
+fi
+#pVersion=`$PYTHON_CMDB -V 2>&1`
+
+#################################################################
+#
+#################################################################
+
+echo -n  "Testing \"$PYTHON_CMDB tut2\" ...   "
+$PYTHON_CMDB tut2.py > output.txt
+retnStat=$?
+if [ $retnStat != "0" ]
+then
+  temp_success="0"
+  echo "ERROR: tut2.py returned with bad status, $retnStat, check output"
+fi
+
+diff -w output.txt output_blessed.txt > diff_test.out
+retnStat=$?
+if [ $retnStat = "0" ]
+then
+  echo "successful diff comparison on $testName test" 
+  if [ $temp_success = "1" ]
+  then
+    echo "PASSED" > csvCode.txt
+  fi
+else
+  echo "unsuccessful diff comparison on $testName test"
+  echo "FAILED" > csvCode.txt
+  temp_success="0"
+fi
+echo 
+

test_problems/python/tut2/tut2.py

@@ -0,0 +1,134 @@
+####################################################################
+print """
+
+    Tutorial 2: Using your own reaction mechanism files
+
+"""
+####################################################################
+from Cantera import *
+from time import clock
+t0 = clock()
+
+# In the last tutorial, we used function GRI30 to create an object
+# that models an ideal gas mixture with the species and reactions of
+# GRI-Mech 3.0. Another way to do this is shown here, with statements
+# added to measure how long this takes:
+
+gas1 = importPhase('gri30.cti', 'gri30')
+# print 'time to create gas1 = ',clock() - t0
+
+# Function 'importPhase' constructs an object representing a phase of
+# matter by reading in attributes of the phase from a file, which in
+# this case is 'gri30.cti'. This file contains several phase
+# spcifications; the one we want here is 'gri30', which is specified
+# by the second argument.  This file contains a complete specification
+# of the GRI-Mech 3.0 reaction mechanism, including element data
+# (name, atomic weight), species data (name, elemental composition,
+# coefficients to compute thermodynamic and transport properties), and
+# reaction data (stoichiometry, rate coefficient parameters). The file
+# is written in a format understood by Cantera, which is described in
+# the document "Defining Phases and Interfaces."
+
+# On some systems, processing long CTI files like gri30.cti can be a
+# little slow. For example, using a typical laptop computer running
+# Windows 2000, the statement above takes more than 4 s, while on a
+# Mac Powerbook G4 of similar CPU speed it takes only 0.3 s. In any
+# case, running it again takes much less time, because Cantera
+# 'remembers' files it has already processed and doesn't need to read
+# them in again:
+
+t0 = clock()
+gas1b = importPhase('gri30.cti', 'gri30')
+# print 'time to create gas1 again = ',clock() - t0
+
+
+# CTI files distributed with Cantera
+#-----------------------------------
+
+# Several reaction mechanism files in this format are included in the
+# Cantera distribution, including ones that model high-temperature
+# air, a hydrogen/oxygen reaction mechanism, and a few surface
+# reaction mechanisms. Under Windows, these files may be located in
+# 'C:\Program Files\Common Files\Cantera', or in 'C:\cantera\data',
+# depending on how you installed Cantera and the options you
+# specified.  On a unix/linux/Mac OSX machine, they are usually kept
+# in the 'data' subdirectory within the Cantera installation
+# directory.
+
+# If for some reason Cantera has difficulty finding where these files
+# are on your system, set environment variable CANTERA_DATA to the
+# directory where they are located. Alternatively, you can call function
+# addDirectory to add a directory to the Cantera search path:
+addDirectory('/usr/local/cantera/my_data_files')
+
+# Cantera input files are plain text files, and can be created with
+# any text editor. See the document 'Defining Phases and Interfaces'
+# for more information.
+
+# A Cantera input file may contain more than one phase specification,
+# or may contain specifications of interfaces (surfaces). Here we
+# import definitions of two bulk phases and the interface between them
+# from file diamond.cti:
+
+gas2 = importPhase('diamond.cti', 'gas')        # a gas
+
+diamond = importPhase('diamond.cti','diamond')  # bulk diamond
+
+diamonnd_surf = importInterface('diamond.cti','diamond_100',
+                                phases = [gas2, diamond])
+
+# Note that the bulk (i.e., 3D) phases that participate in the surface
+# reactions must also be passed as arguments to importInterface.
+
+# Multiple phases defined in the same input file can be imported with
+# one statement:
+[gas3, diamond2] = importPhases('diamond.cti', ['gas','diamond'])
+
+# Note that when Cantera reads a .cti input file, wherever it is
+# located, it always writes a file of the same name but with extension
+# .xml *in the local directory*. If you happen to have some other file
+# by that name, it will be overwritten. Once the XML file is created,
+# you can use it instead of the .cti file, which will result in
+# somewhat faster startup.
+
+gas4 = importPhase('gri30.xml','gri30')
+
+# Interfaces can be imported from XML files too.
+diamonnd_surf2 = importInterface('diamond.xml','diamond_100',
+                                 phases = [gas2, diamond])
+
+
+
+# Converting CK-format files
+# --------------------------
+
+# Many existing reaction mechanism files are in "CK format," by which
+# we mean the input file format developed for use with the Chemkin-II
+# software package. [See R. J. Kee, F. M. Rupley, and J. A. Miller,
+# Sandia National Laboratories Report SAND89-8009 (1989).]
+
+# Cantera comes with a converter utility program 'ck2cti' (or
+# 'ck2cti.exe') that converts CK format into Cantera format. This
+# program should be run from the command line first to convert any CK
+# files you plan to use into Cantera format. This utility program can
+# also be downloaded from the Cantera User's Group web site.
+#
+# Here's an example of how to use it:
+#
+# ck2cti -i mech.inp -t therm.dat -tr tran.dat -id mymech > mech.cti
+#
+
+#
+# Print out a few things to make sure the tutorial is working
+
+cc = diamonnd_surf2.coverages()
+print cc
+
+# will get infs because coverages are zero.
+gg = diamonnd_surf2.chemPotentials()
+print gg
+
+
+
+
+