####################################################################
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
#
