*** empty log message ***

Cantera/python/tutorial/tut1.py

@@ -280,11 +280,11 @@ gas1.set(Enthalpy = 2*gas1.enthalpy_mass(), Pressure = 2*OneAtm)
 # fractions to the same value, do this:
 
 x = ones(53,'d');   # NumPy array of 53 ones
-set(gas1, X = x)
+gas1.set(X = x)
 print gas1
 
 # To set the mass fractions to equal values:
-set(gas1, Y = x)
+gas1.set(Y = x)
 print gas1
 
 

Cantera/python/tutorial/tut2.py

@@ -7,127 +7,116 @@ print """
 ####################################################################
 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:
+# GRI-Mech 3.0. Another way to do this is shown here, with statements
+# added to measure how long this takes:
 
-gas = importPhase('gri30.cti', 'gri30')
+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 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."
+# 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, the installation program puts
-# these files in 'C:\Program File\Common Files\Cantera.'  On a
-# unix/linux/Mac OSX machine, they are usually kept in the 'data'
-# subdirectory within the Cantera installation directory.
+# 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/data')
-ggg = importPhase('dummy.cti')
+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.
 
-from Cantera import *
-t0 = clock()
-gas1 = importPhase('gri30.cti')
-print 'time to create gas1 = ',clock() - t0 
+# 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:
 
-# This statement creates a mixture that implements GRI-Mech 3.0, much
-# like function GRI30 does. File 'gri30.cti' is in the 'data'
-# directory. Under Windows, this directory is in C:\Program
-# Files\Common Files\Cantera and/or C:\CANTERA\DATA. On most other
-# platforms, it is usually in /usr/local/cantera/data.
-
-
-# A Cantera input file may contain more than one phase specification, or may
-# contain specifications of interfaces (surfaces).
-
-# Use importPhase to import a phase:
-t0 = clock()
 gas2 = importPhase('diamond.cti', 'gas')        # a gas
-print 'time to create gas2 = ',clock() - t0
 
-t0 = clock()
 diamond = importPhase('diamond.cti','diamond')  # bulk diamond
-print 'time to create diamond = ',clock() - t0
 
-# Use importInterface to import a surface:
-t0 = clock()
 diamonnd_surf = importInterface('diamond.cti','diamond_100',
                                 phases = [gas2, diamond])
-print 'time to create diamond_surf = ',clock() - t0
 
 # 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:
-t0 = clock()
 [gas3, diamond2] = importPhases('diamond.cti', ['gas','diamond'])
-print 'time to create both gas3 and diamond2 = ',clock() - t0
 
-# Note that importing from a file is much faster the second time. This
-# is because the file is only read and converted to XML once. The XML
-# tree is kept in memory once it is read in case it is needed later.
-
-# How does Cantera find input files like diamond.cti?  Cantera always
-# looks in the local directory first. If it is not there, Cantera
-# looks for it on its search path. It looks for it in the data
-# directory specified when Cantera was built (by default this is
-# /usr/local/cantera/data on unix systems). If you define environment
-# variable CANTERA_DATA, it will also look there, or else you can
-# call function addDirectory to add a directory to the search path.
-
-# Warning: when Cantera reads a .cti input file, wherever it is
+# 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 = IdealGasMix('gri30.xml')
-# Note that the function 'IdealGasMix' simply calls 'importPhase', and
-# checks that the phase represents an ideal gas mixture
+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).]
+# 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
+#