From 977d25da927ada80ac3962019120ca7e1a362ff6 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Fri, 4 Jan 2008 01:12:21 +0000 Subject: [PATCH] Added tut1 python tutorial to test suite --- test_problems/python/Makefile.in | 2 + test_problems/python/tut1/.cvsignore | 5 + test_problems/python/tut1/cleanup | 2 + test_problems/python/tut1/output_blessed.txt | 365 +++++++++++++++++++ test_problems/python/tut1/runtest | 76 ++++ test_problems/python/tut1/tut1.py | 294 +++++++++++++++ 6 files changed, 744 insertions(+) create mode 100644 test_problems/python/tut1/.cvsignore create mode 100755 test_problems/python/tut1/cleanup create mode 100644 test_problems/python/tut1/output_blessed.txt create mode 100755 test_problems/python/tut1/runtest create mode 100755 test_problems/python/tut1/tut1.py diff --git a/test_problems/python/Makefile.in b/test_problems/python/Makefile.in index b76d11d07..ea6a9e0b2 100644 --- a/test_problems/python/Makefile.in +++ b/test_problems/python/Makefile.in @@ -3,10 +3,12 @@ # test target -> make the program and run the test test: ./runtest @PYTHON_CMD@ + @cd tut1; ./runtest @PYTHON_CMD@ # clean target -> clean up clean: ../../bin/rm_cvsignore + cd tut1; ./cleanup depends: diff --git a/test_problems/python/tut1/.cvsignore b/test_problems/python/tut1/.cvsignore new file mode 100644 index 000000000..d164d2938 --- /dev/null +++ b/test_problems/python/tut1/.cvsignore @@ -0,0 +1,5 @@ +csvCode.txt +ct2ctml.log +diff_test.out +gri30.xml +output.txt diff --git a/test_problems/python/tut1/cleanup b/test_problems/python/tut1/cleanup new file mode 100755 index 000000000..a964a60bd --- /dev/null +++ b/test_problems/python/tut1/cleanup @@ -0,0 +1,2 @@ +#!/bin/sh +/bin/rm -f csvCode.txt ct2ctml.log diff_test.out output.txt gri30.xml diff --git a/test_problems/python/tut1/output_blessed.txt b/test_problems/python/tut1/output_blessed.txt new file mode 100644 index 000000000..21a9c8e10 --- /dev/null +++ b/test_problems/python/tut1/output_blessed.txt @@ -0,0 +1,365 @@ + + + Tutorial 1: Getting started + + + + gri30: + + temperature 300 K + pressure 101325 Pa + density 0.081889 kg/m^3 + mean mol. weight 2.01588 amu + + 1 kg 1 kmol + ----------- ------------ + enthalpy 26470.1 5.336e+04 J + internal energy -1.21088e+06 -2.441e+06 J + entropy 64914 1.309e+05 J/K + Gibbs function -1.94477e+07 -3.92e+07 J + heat capacity c_p 14311.8 2.885e+04 J/K + heat capacity c_v 10187.3 2.054e+04 J/K + + X Y Chem. Pot. / RT + ------------- ------------ ------------ + H2 1 1 -15.7173 + H 0 0 + O 0 0 + O2 0 0 + OH 0 0 + H2O 0 0 + HO2 0 0 + H2O2 0 0 + C 0 0 + CH 0 0 + CH2 0 0 + CH2(S) 0 0 + CH3 0 0 + CH4 0 0 + CO 0 0 + CO2 0 0 + HCO 0 0 + CH2O 0 0 + CH2OH 0 0 + CH3O 0 0 + CH3OH 0 0 + C2H 0 0 + C2H2 0 0 + C2H3 0 0 + C2H4 0 0 + C2H5 0 0 + C2H6 0 0 + HCCO 0 0 + CH2CO 0 0 + HCCOH 0 0 + N 0 0 + NH 0 0 + NH2 0 0 + NH3 0 0 + NNH 0 0 + NO 0 0 + NO2 0 0 + N2O 0 0 + HNO 0 0 + CN 0 0 + HCN 0 0 + H2CN 0 0 + HCNN 0 0 + HCNO 0 0 + HOCN 0 0 + HNCO 0 0 + NCO 0 0 + N2 0 0 + AR 0 0 + C3H7 0 0 + C3H8 0 0 + CH2CHO 0 0 + CH3CHO 0 0 + + gri30: + + temperature 1200 K + pressure 405300 Pa + density 0.081889 kg/m^3 + mean mol. weight 2.01588 amu + + 1 kg 1 kmol + ----------- ------------ + enthalpy 1.32956e+07 2.68e+07 J + internal energy 8.3462e+06 1.682e+07 J + entropy 79509.9 1.603e+05 J/K + Gibbs function -8.21163e+07 -1.655e+08 J + heat capacity c_p 15377.9 3.1e+04 J/K + heat capacity c_v 11253.5 2.269e+04 J/K + + X Y Chem. Pot. / RT + ------------- ------------ ------------ + H2 1 1 -16.5912 + H 0 0 + O 0 0 + O2 0 0 + OH 0 0 + H2O 0 0 + HO2 0 0 + H2O2 0 0 + C 0 0 + CH 0 0 + CH2 0 0 + CH2(S) 0 0 + CH3 0 0 + CH4 0 0 + CO 0 0 + CO2 0 0 + HCO 0 0 + CH2O 0 0 + CH2OH 0 0 + CH3O 0 0 + CH3OH 0 0 + C2H 0 0 + C2H2 0 0 + C2H3 0 0 + C2H4 0 0 + C2H5 0 0 + C2H6 0 0 + HCCO 0 0 + CH2CO 0 0 + HCCOH 0 0 + N 0 0 + NH 0 0 + NH2 0 0 + NH3 0 0 + NNH 0 0 + NO 0 0 + NO2 0 0 + N2O 0 0 + HNO 0 0 + CN 0 0 + HCN 0 0 + H2CN 0 0 + HCNN 0 0 + HCNO 0 0 + HOCN 0 0 + HNCO 0 0 + NCO 0 0 + N2 0 0 + AR 0 0 + C3H7 0 0 + C3H8 0 0 + CH2CHO 0 0 + CH3CHO 0 0 + + gri30: + + temperature 900 K + pressure 100000 Pa + density 0.369279 kg/m^3 + mean mol. weight 27.6332 amu + + 1 kg 1 kmol + ----------- ------------ + enthalpy 455660 1.259e+07 J + internal energy 184862 5.108e+06 J + entropy 8529.31 2.357e+05 J/K + Gibbs function -7.22072e+06 -1.995e+08 J + heat capacity c_p 1304.4 3.604e+04 J/K + heat capacity c_v 1003.52 2.773e+04 J/K + + X Y Chem. Pot. / RT + ------------- ------------ ------------ + H2 0 0 + H 0 0 + O 0 0 + O2 0.190114 0.220149 -27.9596 + OH 0 0 + H2O 0 0 + HO2 0 0 + H2O2 0 0 + C 0 0 + CH 0 0 + CH2 0 0 + CH2(S) 0 0 + CH3 0 0 + CH4 0.095057 0.0551863 -37.0813 + CO 0 0 + CO2 0 0 + HCO 0 0 + CH2O 0 0 + CH2OH 0 0 + CH3O 0 0 + CH3OH 0 0 + C2H 0 0 + C2H2 0 0 + C2H3 0 0 + C2H4 0 0 + C2H5 0 0 + C2H6 0 0 + HCCO 0 0 + CH2CO 0 0 + HCCOH 0 0 + N 0 0 + NH 0 0 + NH2 0 0 + NH3 0 0 + NNH 0 0 + NO 0 0 + NO2 0 0 + N2O 0 0 + HNO 0 0 + CN 0 0 + HCN 0 0 + H2CN 0 0 + HCNN 0 0 + HCNO 0 0 + HOCN 0 0 + HNCO 0 0 + NCO 0 0 + N2 0.714829 0.724665 -24.935 + AR 0 0 + C3H7 0 0 + C3H8 0 0 + CH2CHO 0 0 + CH3CHO 0 0 + + gri30: + + temperature 1235.23 K + pressure 193934 Pa + density 0.545252 kg/m^3 + mean mol. weight 28.8752 amu + + 1 kg 1 kmol + ----------- ------------ + enthalpy 5.56724e+06 1.608e+08 J + internal energy 5.21156e+06 1.505e+08 J + entropy 10866.6 3.138e+05 J/K + Gibbs function -7.85549e+06 -2.268e+08 J + heat capacity c_p 2258.12 6.52e+04 J/K + heat capacity c_v 1970.18 5.689e+04 J/K + + X Y Chem. Pot. / RT + ------------- ------------ ------------ + H2 0.0188679 0.00131724 -21.3768 + H 0.0188679 0.000658618 2.45072 + O 0.0188679 0.0104545 -0.130267 + O2 0.0188679 0.020909 -30.495 + OH 0.0188679 0.0111131 -23.9578 + H2O 0.0188679 0.0117717 -52.4329 + HO2 0.0188679 0.0215676 -32.8359 + H2O2 0.0188679 0.0222262 -48.7862 + C 0.0188679 0.00784834 45.7869 + CH 0.0188679 0.00850696 30.4521 + CH2 0.0188679 0.00916558 8.43598 + CH2(S) 0.0188679 0.00916558 12.8299 + CH3 0.0188679 0.0098242 -16.0065 + CH4 0.0188679 0.0104828 -36.8745 + CO 0.0188679 0.0183028 -40.2646 + CO2 0.0188679 0.0287573 -70.9103 + HCO 0.0188679 0.0189614 -29.3505 + CH2O 0.0188679 0.0196201 -43.7869 + CH2OH 0.0188679 0.0202787 -38.854 + CH3O 0.0188679 0.0202787 -33.4663 + CH3OH 0.0188679 0.0209373 -56.6067 + C2H 0.0188679 0.0163553 22.4849 + C2H2 0.0188679 0.0170139 -9.62065 + C2H3 0.0188679 0.0176725 -6.88586 + C2H4 0.0188679 0.0183312 -29.6415 + C2H5 0.0188679 0.0189898 -27.3078 + C2H6 0.0188679 0.0196484 -45.4153 + HCCO 0.0188679 0.0268098 -20.3438 + CH2CO 0.0188679 0.0274684 -42.3074 + HCCOH 0.0188679 0.0274684 -29.6958 + N 0.0188679 0.00915242 22.608 + NH 0.0188679 0.00981104 7.2794 + NH2 0.0188679 0.0104697 -11.0016 + NH3 0.0188679 0.0111283 -34.4022 + NNH 0.0188679 0.0189635 -9.19194 + NO 0.0188679 0.0196069 -22.2473 + NO2 0.0188679 0.0300614 -32.3728 + N2O 0.0188679 0.0287593 -25.4986 + HNO 0.0188679 0.0202655 -22.6121 + CN 0.0188679 0.0170008 12.6004 + HCN 0.0188679 0.0176594 -18.1967 + H2CN 0.0188679 0.018318 -10.0875 + HCNN 0.0188679 0.0268118 6.88522 + HCNO 0.0188679 0.0281139 -20.4444 + HOCN 0.0188679 0.0281139 -37.9279 + HNCO 0.0188679 0.0281139 -48.2213 + NCO 0.0188679 0.0274552 -22.1878 + N2 0.0188679 0.0183048 -28.7463 + AR 0.0188679 0.0261032 -23.5881 + C3H7 0.0188679 0.0281554 -36.9365 + C3H8 0.0188679 0.028814 -55.0607 + CH2CHO 0.0188679 0.028127 -38.8293 + CH3CHO 0.0188679 0.0287856 -57.467 + + gri30: + + temperature 1235.23 K + pressure 368222 Pa + density 0.545252 kg/m^3 + mean mol. weight 15.2079 amu + + 1 kg 1 kmol + ----------- ------------ + enthalpy 1.26294e+07 1.921e+08 J + internal energy 1.19541e+07 1.818e+08 J + entropy 15645.4 2.379e+05 J/K + Gibbs function -6.69611e+06 -1.018e+08 J + heat capacity c_p 2918.61 4.439e+04 J/K + heat capacity c_v 2371.89 3.607e+04 J/K + + X Y Chem. Pot. / RT + ------------- ------------ ------------ + H2 0.14234 0.0188679 -18.7148 + H 0.284681 0.0188679 5.8058 + O 0.0179345 0.0188679 0.460166 + O2 0.00896725 0.0188679 -30.5977 + OH 0.0168716 0.0188679 -23.4285 + H2O 0.0159277 0.0188679 -51.9612 + HO2 0.00869341 0.0188679 -32.9696 + H2O2 0.0084358 0.0188679 -48.95 + C 0.0238899 0.0188679 46.664 + CH 0.0220403 0.0188679 31.2487 + CH2 0.0204565 0.0188679 9.15798 + CH2(S) 0.0204565 0.0188679 13.5519 + CH3 0.0190851 0.0188679 -15.3539 + CH4 0.017886 0.0188679 -36.2868 + CO 0.0102441 0.0188679 -40.2341 + CO2 0.00651994 0.0188679 -71.3318 + HCO 0.00988827 0.0188679 -29.3554 + CH2O 0.00955633 0.0188679 -43.8259 + CH2OH 0.00924596 0.0188679 -38.9261 + CH3O 0.00924596 0.0188679 -33.5384 + CH3OH 0.00895511 0.0188679 -56.7108 + C2H 0.0114639 0.0188679 22.6278 + C2H2 0.0110201 0.0188679 -9.51722 + C2H3 0.0106094 0.0188679 -6.8204 + C2H4 0.0102283 0.0188679 -29.6127 + C2H5 0.00987352 0.0188679 -27.3142 + C2H6 0.00954255 0.0188679 -45.4558 + HCCO 0.00699356 0.0188679 -20.6951 + CH2CO 0.00682587 0.0188679 -42.6829 + HCCOH 0.00682587 0.0188679 -30.0714 + N 0.0204859 0.0188679 23.3314 + NH 0.0191107 0.0188679 7.93336 + NH2 0.0179085 0.0188679 -10.4126 + NH3 0.0168486 0.0188679 -33.8742 + NNH 0.00988722 0.0188679 -9.19699 + NO 0.00956275 0.0188679 -22.2857 + NO2 0.0062371 0.0188679 -32.8386 + N2O 0.00651948 0.0188679 -25.9201 + HNO 0.00925196 0.0188679 -22.6835 + CN 0.0110287 0.0188679 12.7046 + HCN 0.0106174 0.0188679 -18.1305 + H2CN 0.0102356 0.0188679 -10.0579 + HCNN 0.00699304 0.0188679 6.53384 + HCNO 0.00666916 0.0188679 -20.8432 + HOCN 0.00666916 0.0188679 -38.3267 + HNCO 0.00666916 0.0188679 -48.6201 + NCO 0.00682915 0.0188679 -22.5629 + N2 0.010243 0.0188679 -28.716 + AR 0.00718287 0.0188679 -23.9127 + C3H7 0.00665933 0.0188679 -37.3368 + C3H8 0.00650712 0.0188679 -55.4841 + CH2CHO 0.00666604 0.0188679 -39.2286 + CH3CHO 0.00651352 0.0188679 -57.8894 diff --git a/test_problems/python/tut1/runtest b/test_problems/python/tut1/runtest new file mode 100755 index 000000000..09c8fc2e7 --- /dev/null +++ b/test_problems/python/tut1/runtest @@ -0,0 +1,76 @@ +#!/bin/sh +# +# +if test "$#" -ge "2" ; then + echo "runtest ERROR: program requires one argument." + echo " runtest PYTHON_CMD" + exit 0 +fi + +temp_success="1" +/bin/rm -f output.txt diff_test.out csvCode.txt ct2ctml.log \ + gri30.xml + +testName=tut1 +################################################################# +# +################################################################# +# +# Try to create a default python executable location if no +# argument to runtest is supplied. +# +if test -z "$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 \"$PYTHON_CMDB tut1\" ... " +$PYTHON_CMDB tut1.py > output.txt +retnStat=$? +if [ $retnStat != "0" ] +then + temp_success="0" + echo "ERROR: tut1.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 + diff --git a/test_problems/python/tut1/tut1.py b/test_problems/python/tut1/tut1.py new file mode 100755 index 000000000..27eed4980 --- /dev/null +++ b/test_problems/python/tut1/tut1.py @@ -0,0 +1,294 @@ +################################# +print """ + + Tutorial 1: Getting started + +""" +################################## + + +# Put this statement at the top of each Python script to import the +# most commonly-used parts of Cantera: + +from Cantera import * + +# The first thing you need is an object representing some phase of +# matter. We'll create here a gas mixture: +gas1 = GRI30() + +# To view the state of the mixture, just print it: +print gas1 + +# You should see something like this: +# +# temperature 300 K +# pressure 101325 Pa +# density 0.081889 kg/m^3 +# mean mol. weight 2.01588 amu + +# 1 kg 1 kmol +# ----------- ------------ +# enthalpy 26470.1 5.336e+04 J +# internal energy -1.21088e+06 -2.441e+06 J +# entropy 64914 1.309e+05 J/K +# Gibbs function -1.94477e+07 -3.92e+07 J +# heat capacity c_p 14311.8 2.885e+04 J/K +# heat capacity c_v 10187.3 2.054e+04 J/K + +# X Y +# ------------- ------------ +# H2 1.000000e+00 1.000000e+00 +# H 0.000000e+00 0.000000e+00 +# O 0.000000e+00 0.000000e+00 +# O2 0.000000e+00 0.000000e+00 +# OH 0.000000e+00 0.000000e+00 +# H2O 0.000000e+00 0.000000e+00 +# HO2 0.000000e+00 0.000000e+00 +# H2O2 0.000000e+00 0.000000e+00 +# C 0.000000e+00 0.000000e+00 +# CH 0.000000e+00 0.000000e+00 +# CH2 0.000000e+00 0.000000e+00 +# CH2(S) 0.000000e+00 0.000000e+00 +# CH3 0.000000e+00 0.000000e+00 +# CH4 0.000000e+00 0.000000e+00 +# CO 0.000000e+00 0.000000e+00 +# CO2 0.000000e+00 0.000000e+00 +# HCO 0.000000e+00 0.000000e+00 +# CH2O 0.000000e+00 0.000000e+00 +# CH2OH 0.000000e+00 0.000000e+00 +# CH3O 0.000000e+00 0.000000e+00 +# CH3OH 0.000000e+00 0.000000e+00 +# C2H 0.000000e+00 0.000000e+00 +# C2H2 0.000000e+00 0.000000e+00 +# C2H3 0.000000e+00 0.000000e+00 +# C2H4 0.000000e+00 0.000000e+00 +# C2H5 0.000000e+00 0.000000e+00 +# C2H6 0.000000e+00 0.000000e+00 +# HCCO 0.000000e+00 0.000000e+00 +# CH2CO 0.000000e+00 0.000000e+00 +# HCCOH 0.000000e+00 0.000000e+00 +# N 0.000000e+00 0.000000e+00 +# NH 0.000000e+00 0.000000e+00 +# NH2 0.000000e+00 0.000000e+00 +# NH3 0.000000e+00 0.000000e+00 +# NNH 0.000000e+00 0.000000e+00 +# NO 0.000000e+00 0.000000e+00 +# NO2 0.000000e+00 0.000000e+00 +# N2O 0.000000e+00 0.000000e+00 +# HNO 0.000000e+00 0.000000e+00 +# CN 0.000000e+00 0.000000e+00 +# HCN 0.000000e+00 0.000000e+00 +# H2CN 0.000000e+00 0.000000e+00 +# HCNN 0.000000e+00 0.000000e+00 +# HCNO 0.000000e+00 0.000000e+00 +# HOCN 0.000000e+00 0.000000e+00 +# HNCO 0.000000e+00 0.000000e+00 +# NCO 0.000000e+00 0.000000e+00 +# N2 0.000000e+00 0.000000e+00 +# AR 0.000000e+00 0.000000e+00 +# C3H7 0.000000e+00 0.000000e+00 +# C3H8 0.000000e+00 0.000000e+00 +# CH2CHO 0.000000e+00 0.000000e+00 +# CH3CHO 0.000000e+00 0.000000e+00 +# +# What you have just done is to create an object ("gas1") that +# implements GRI-Mech 3.0, the 53-species, 325-reaction natural gas +# combustion mechanism developed by Gregory P. Smith, David M. Golden, +# Michael Frenklach, Nigel W. Moriarty, Boris Eiteneer, Mikhail +# Goldenberg, C. Thomas Bowman, Ronald K. Hanson, Soonho Song, William +# C. Gardiner, Jr., Vitali V. Lissianski, and Zhiwei Qin. See +# http://www.me.berkeley.edu/gri_mech/ for more information. +# +# The object created by GI30() has properties you would expect for a gas +# mixture - it has a temperature, a pressure, species mole and mass +# fractions, etc. As we'll soon see, it has many more properties. +# +# The summary of the state of 'gas1' printed above shows that new +# objects created by function GRI30() start out with a temperature of +# 300 K, a pressure of 1 atm, and have a composition that consists of +# only one species, in this case hydrogen. There is nothing special +# about H2 - it just happens to be the first species listed in the +# input file defining GRI-Mech 3.0 that the 'GRI30' function reads. In +# general, whichever species is listed first will initially have a +# mole fraction of 1.0, and all of the others will be zero. + + +# Setting the state +# ----------------- + +# The state of the object can easily be changed. For example, + +gas1.setTemperature(1200) + +# sets the temperature to 1200 K. (Cantera always uses SI units.) +# After this statement, + +print gas1 + +# results in: +# +# temperature 1200 K +# pressure 405300 Pa +# density 0.081896 kg/m^3 +# mean mol. weight 2.01594 amu +# +# X Y +# ------------- ------------ +# H2 1.000000e+000 1.000000e+000 +# (other species not shown) +# +# Notice that the temperature has been changed as requested, but the +# pressure has changed too. The density and composition have +# not. +# +# When setting properties individually, some convention needs to be +# adopted to specify which other properties are held constant. This is +# because thermodynamics requires that *two* properties (not one) in +# addition to composition information be specified to fix the +# intensive state of a substance (or mixture). +# +# Cantera adopts the following convention: only one of the set +# (temperature, density, mass fractions) is altered by setting any +# single property. This means that: +# +# a) Setting the temperature is done holding density and +# composition fixed. (The pressure changes.) + +# b) Setting the pressure is done holding temperature and +# composition fixed. (The density changes.) +# +# c) Setting the composition is done holding temperature +# and density fixed. (The pressure changes). +# + +# Instead of using a method like 'setTemperature' to set one property, +# you can use a single method 'set' to set any property or combination +# of properties: + +gas1.set(Temperature = 900.0, Pressure = 1.e5) + +# This statement sets both temperature and pressure at the same +# time. Any number of property/value pairs can be specified in a +# call to 'set'. For example, the following sets the mole fractions +# too: + +gas1.set(Temperature = 900.0, Pressure = 1.e5, + MoleFractions = 'CH4:1,O2:2,N2:7.52') + +# The 'set' function also accepts abbreviated property names: + +gas1.set(T = 900.0, P = 1.0e5, X = 'CH4:1,O2:2,N2:7.52') + +# Either version results in: +print gas1 + +# temperature 900 K +# pressure 100000 Pa +# density 0.369279 kg/m^3 +# mean mol. weight 27.6332 amu + +# 1 kg 1 kmol +# ----------- ------------ +# enthalpy 455660 1.259e+07 J +# internal energy 184862 5.108e+06 J +# entropy 8529.31 2.357e+05 J/K +# Gibbs function -7.22072e+06 -1.995e+08 J +# heat capacity c_p 1304.4 3.604e+04 J/K +# heat capacity c_v 1003.52 2.773e+04 J/K + +# X Y +# ------------- ------------ +# H2 0.000000e+00 0.000000e+00 +# H 0.000000e+00 0.000000e+00 +# O 0.000000e+00 0.000000e+00 +# O2 1.901141e-01 2.201487e-01 +# OH 0.000000e+00 0.000000e+00 +# H2O 0.000000e+00 0.000000e+00 +# HO2 0.000000e+00 0.000000e+00 +# H2O2 0.000000e+00 0.000000e+00 +# C 0.000000e+00 0.000000e+00 +# CH 0.000000e+00 0.000000e+00 +# CH2 0.000000e+00 0.000000e+00 +# CH2(S) 0.000000e+00 0.000000e+00 +# CH3 0.000000e+00 0.000000e+00 +# CH4 9.505703e-02 5.518632e-02 +# CO 0.000000e+00 0.000000e+00 +# CO2 0.000000e+00 0.000000e+00 +# HCO 0.000000e+00 0.000000e+00 +# CH2O 0.000000e+00 0.000000e+00 +# CH2OH 0.000000e+00 0.000000e+00 +# CH3O 0.000000e+00 0.000000e+00 +# CH3OH 0.000000e+00 0.000000e+00 +# C2H 0.000000e+00 0.000000e+00 +# C2H2 0.000000e+00 0.000000e+00 +# C2H3 0.000000e+00 0.000000e+00 +# C2H4 0.000000e+00 0.000000e+00 +# C2H5 0.000000e+00 0.000000e+00 +# C2H6 0.000000e+00 0.000000e+00 +# HCCO 0.000000e+00 0.000000e+00 +# CH2CO 0.000000e+00 0.000000e+00 +# HCCOH 0.000000e+00 0.000000e+00 +# N 0.000000e+00 0.000000e+00 +# NH 0.000000e+00 0.000000e+00 +# NH2 0.000000e+00 0.000000e+00 +# NH3 0.000000e+00 0.000000e+00 +# NNH 0.000000e+00 0.000000e+00 +# NO 0.000000e+00 0.000000e+00 +# NO2 0.000000e+00 0.000000e+00 +# N2O 0.000000e+00 0.000000e+00 +# HNO 0.000000e+00 0.000000e+00 +# CN 0.000000e+00 0.000000e+00 +# HCN 0.000000e+00 0.000000e+00 +# H2CN 0.000000e+00 0.000000e+00 +# HCNN 0.000000e+00 0.000000e+00 +# HCNO 0.000000e+00 0.000000e+00 +# HOCN 0.000000e+00 0.000000e+00 +# HNCO 0.000000e+00 0.000000e+00 +# NCO 0.000000e+00 0.000000e+00 +# N2 7.148289e-01 7.246650e-01 +# AR 0.000000e+00 0.000000e+00 +# C3H7 0.000000e+00 0.000000e+00 +# C3H8 0.000000e+00 0.000000e+00 +# CH2CHO 0.000000e+00 0.000000e+00 +# CH3CHO 0.000000e+00 0.000000e+00 + + +# Other properties may also be set using 'set', including some that +# can only be set in combination with others. The following property +# pairs may be set: (Enthalpy, Pressure), (IntEnergy, Volume), +# (Entropy, Volume), (Entropy, Pressure). In each case, the values of +# the extensive properties must be entered *per unit mass*. + +# Setting the enthalpy and pressure: +gas1.set(Enthalpy = 2*gas1.enthalpy_mass(), Pressure = 2*OneAtm) + +# This sets gas1 to a state with P = 2 atm, and a specific enthalpy +# twice its previous value. + +# Note that the abbreviations T, P, H, U, S, V can also be used with +# the 'set' method. + +# The composition above was specified using a string. The format is a +# comma-separated list of : +# pairs. The mole numbers will be normalized to produce the mole +# fractions, and therefore they are 'relative' mole numbers. Mass +# fractions can be set in this way too by changing 'X' to 'Y' in the +# above statement. + +# The composition can also be set using an array, which must have the +# same size as the number of species. For example, to set all 53 mole +# fractions to the same value, do this: + +x = ones(53,'d'); # NumPy array of 53 ones +gas1.set(X = x) +print gas1 + +# To set the mass fractions to equal values: +gas1.set(Y = x) +print gas1 + + + + + +