Added dir files.

Cantera/python/examples/equilibrium/simple_test/.cvsignore

@@ -0,0 +1,7 @@
+Makefile
+runtest
+ct2ctml.log
+diff_out_0.txt
+h2o2.xml
+output_0.txt
+transport_log.xml

Cantera/python/examples/equilibrium/simple_test/Makefile.in

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+#!/bin/sh
+
+PYTHON_CMD = @PYTHON_CMD@
+
+run:
+	$(PYTHON_CMD) adiabatic.py
+
+test:
+	./runtest
+clean:
+	rm -f *.log *.csv *.xml
+
+# end of file
+

Cantera/python/examples/equilibrium/simple_test/cleanup

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+#!/bin/sh
+#
+/bin/rm -rf equilibrate_log*.html
+/bin/rm -rf .cttmp* ct2ctml.log transport_log.xml vcs_equilibrate_res*.csv \
+            equil_koh.csv

Cantera/python/examples/equilibrium/simple_test/output_blessed_0.txt

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+ 
+  ohmech:
+ 
+       temperature            2000  K
+          pressure         10132.5  Pa
+           density       0.0117038  kg/m^3
+  mean mol. weight         19.2076  amu
+ 
+                          1 kg            1 kmol
+                       -----------      ------------
+          enthalpy    -7.55312e+06       -1.451e+08     J
+   internal energy    -8.41887e+06       -1.617e+08     J
+           entropy         14945.3        2.871e+05     J/K
+    Gibbs function    -3.74437e+07       -7.192e+08     J
+ heat capacity c_p         2617.61        5.028e+04     J/K
+ heat capacity c_v         2184.73        4.196e+04     J/K
+ 
+                           X                 Y          Chem. Pot. / RT    
+                     -------------     ------------     ------------
+                H2     0.00273982      0.000287549         -27.6814
+                 H    0.000269379      1.41359e-05         -13.8407
+                 O    0.000632389      0.000526761         -16.7409
+                O2      0.0894549         0.149027         -33.4819
+                OH     0.00880602       0.00779726         -30.5817
+               H2O       0.898095         0.842343         -44.4224
+               HO2    2.52646e-06       4.3415e-06         -47.3226
+              H2O2    1.58781e-07      2.81184e-07         -61.1633
+                AR              0                0     
+                  H2     0.00274    0.0002875   -4.603e+08 
+                   H   0.0002694    1.414e-05   -2.302e+08 
+                   O   0.0006324    0.0005268   -2.784e+08 
+                  O2     0.08945        0.149   -5.568e+08 
+                  OH    0.008806     0.007797   -5.085e+08 
+                 H2O      0.8981       0.8423   -7.387e+08 
+                 HO2   2.526e-06    4.342e-06   -7.869e+08 
+                H2O2   1.588e-07    2.812e-07   -1.017e+09 
+                  AR           0            0   -1.188e+10 

Cantera/python/examples/equilibrium/simple_test/runtest.in

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+#!/bin/sh
+#
+#
+temp_success="1"
+/bin/rm  -f output_0.txt diff_csv.txt diff_out_0.txt
+
+##########################################################################
+PYTHON_CMD=@PYTHON_CMD@
+prog=simple.py
+if test ! -f $prog ; then
+   echo $prog ' does not exist'
+   exit -1
+fi
+#################################################################
+#
+CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
+CANTERA_BIN=${CANTERA_BIN:=../../../bin}
+
+#################################################################
+
+$PYTHON_CMD $prog  > output_0.txt <<+
+1.0
++
+retnStat=$?
+if [ $retnStat != "0" ]
+then
+  temp_success="0"
+  echo "$prog returned with bad status, $retnStat, check output"
+fi
+
+diff -w output_blessed_0.txt output_0.txt > diff_out_0.txt
+retnStat_0=$?
+
+
+retnTotal=1
+if test $retnStat_0 = "0" 
+then
+  retnTotal=0
+fi
+
+
+if test $retnTotal = "0"
+then
+  echo "Successful test comparison on "`pwd`
+else
+  echo "Unsuccessful test comparison on "`pwd` " test"
+     echo "      files are different - see diff_out_0.txt"
+fi
+

Cantera/python/examples/equilibrium/simple_test/simple.py

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+# homogeneous equilibrium of a gas.
+
+from Cantera import *
+
+# create an object representing the gas phase
+gas = importPhase("h2o2.cti")
+
+# set the initial state
+gas.set(T = 2000.0, P = 0.1*OneAtm, X = "H2:1.0, O2:0.6")
+
+# equilibrate the gas holding T and P fixed
+gas.equilibrate("TP")
+
+# print a summary of the results
+print gas
+
+# Individual properties can also be retrieved...
+x = gas.moleFractions()
+y = gas.massFractions()
+mu = gas.chemPotentials()
+names = gas.speciesNames()
+for n in range(gas.nSpecies()):
+    print "%20s  %10.4g   %10.4g   %10.4g " % (names[n], x[n], y[n], mu[n])