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Moved nasa9_reader test to Python

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This commit is contained in:
Ray Speth
2012-07-26 20:49:26 +00:00
parent 13e188381d
commit 9801b03a50
8 changed files with 35 additions and 128 deletions
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0
test_problems/nasa9_reader/sampleData.inp → test/data/nasa9-test-therm.dat
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0
test_problems/nasa9_reader/sample.inp → test/data/nasa9-test.inp
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18
test_problems/nasa9_reader/sample.xml → test/data/nasa9-test.xml
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@@ -27,13 +27,13 @@
<NASA9 Tmax="1000.0" Tmin="200.0" P0="100000.0">
<floatArray name="coeffs" size="9">
7.750600970E+04, -1.440779717E+03, 1.401744141E+01, -6.381631240E-03,
5.871674720E-06, -2.908872278E-09, 5.994050890E-13, -6.579343180E+04
5.871674720E-06, -2.908872278E-09, 5.994050890E-13, -6.579343180E+04,
-4.494017799E+01</floatArray>
</NASA9>
<NASA9 Tmax="6000.0" Tmin="1000.0" P0="100000.0">
<floatArray name="coeffs" size="9">
-1.378630916E+05, -5.579207290E+01, 1.004190387E+01, -1.682165339E-05,
3.724664660E-09, -4.275526780E-13, 1.982341329E-17, -7.343407470E+04
3.724664660E-09, -4.275526780E-13, 1.982341329E-17, -7.343407470E+04,
-2.045130429E+01</floatArray>
</NASA9>
</thermo>
@@ -45,22 +45,22 @@
<note>Ref-Species. Chase, 1998 3/82. </note>
<charge>-1</charge>
<thermo>
<NASA9 Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
<NASA9 Tmax="1000.0" Tmin="298.15" P0="100000.0">
<floatArray name="coeffs" size="9">
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
-1.172081224E+01</floatArray>
</NASA9>
<NASA9 Tmax="6000.0" Tmin="1000.0" P0="100000.0">
<floatArray name="coeffs" size="9">
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
-1.172081224E+01</floatArray>
</NASA9>
<NASA9 Tmax="20000.0" Tmin="6000.0" P0="100000.0">
<floatArray name="coeffs" size="9">
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
-1.172081224E+01</floatArray>
</NASA9>
</thermo>
@@ -74,19 +74,19 @@
<NASA9 Tmax="1000.0" Tmin="200.0" P0="100000.0">
<floatArray name="coeffs" size="9">
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
4.379674910E+00</floatArray>
</NASA9>
<NASA9 Tmax="6000.0" Tmin="1000.0" P0="100000.0">
<floatArray name="coeffs" size="9">
2.010538475E+01, -5.992661070E-02, 2.500069401E+00, -3.992141160E-08,
1.205272140E-11, -1.819015576E-15, 1.078576636E-19, -7.449939610E+02
1.205272140E-11, -1.819015576E-15, 1.078576636E-19, -7.449939610E+02,
4.379180110E+00</floatArray>
</NASA9>
<NASA9 Tmax="20000.0" Tmin="6000.0" P0="100000.0">
<floatArray name="coeffs" size="9">
-9.951265080E+08, 6.458887260E+05, -1.675894697E+02, 2.319933363E-02,
-1.721080911E-06, 6.531938460E-11, -9.740147729E-16, -5.078300340E+06
-1.721080911E-06, 6.531938460E-11, -9.740147729E-16, -5.078300340E+06,
1.465298484E+03</floatArray>
</NASA9>
</thermo>

27
test/python/testConvert.py
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@@ -3,9 +3,10 @@ import unittest
import numpy as np
import ck2cti
import utilities
import Cantera as ct
class chemkinConverterTest(unittest.TestCase):
class chemkinConverterTest(utilities.CanteraTest):
def checkConversion(self, refFile, testFile):
ref = ct.IdealGasMix(refFile)
gas = ct.IdealGasMix(testFile)
@@ -55,3 +56,27 @@ class chemkinConverterTest(unittest.TestCase):
self.assertRaises(ck2cti.InputParseError,
lambda: ck2cti.convertMech('../data/h2o2_missingThermo.inp',
quiet=True))
def test_nasa9(self):
if os.path.exists('nasa9_test.cti'):
os.remove('nasa9_test.cti')
ck2cti.convertMech('../data/nasa9-test.inp',
thermoFile='../data/nasa9-test-therm.dat',
outName='nasa9_test.cti', quiet=True)
self.checkConversion('../data/nasa9-test.xml', 'nasa9_test.cti')
ref = ct.IdealGasMix('../data/nasa9-test.xml')
gas = ct.IdealGasMix('nasa9_test.cti')
for T in [300, 500, 1200, 5000]:
ref_cp = ref.cp_R()
gas_cp = gas.cp_R()
ref_h = ref.enthalpies_RT()
gas_h = gas.enthalpies_RT()
ref_s = ref.entropies_R()
gas_s = gas.entropies_R()
for i in range(gas.nSpecies()):
self.assertNear(ref_cp[i], gas_cp[i], 1e-7)
self.assertNear(ref_h[i], gas_h[i], 1e-7)
self.assertNear(ref_s[i], gas_s[i], 1e-7)

5
test_problems/SConscript
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@@ -249,11 +249,6 @@ CompileAndTest('mixGasTransport',
CompileAndTest('multiGasTransport',
'multiGasTransport', 'multiGasTransport', 'output_blessed.txt')
CompileAndTest('NASA9poly', 'NASA9poly_test', 'NASA9poly_test', 'output_blessed.txt')
Test('nasa9_reader', 'nasa9_reader', '#build/bin/ck2cti$PROGSUFFIX', None,
options='-i sample.inp -id sample -t sampleData.inp',
comparisons=[('sample_blessed.cti', 'sample.cti')],
ignoreLines=['#'],
artifacts=['ck2cti.log'])
negA = localenv.Program('negATest/negATest',
mglob(env, 'negATest', 'cpp'),

1
test_problems/nasa9_reader/Makefile.am
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@@ -1 +0,0 @@
TESTS = runtest

42
test_problems/nasa9_reader/runtest
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@@ -1,42 +0,0 @@
#!/bin/sh
echo " "
echo "***************************************************"
echo " Testing CK2CTI on NASA9 Thermodynamics : using the build/bin version of ck2cti"
echo "***************************************************"
echo " "
BINDIR=@buildbin@
CK2CTI=$BINDIR/ck2cti
/bin/rm -f sample.cti
echo "...Test 1: Converting file sample.inp..."
$CK2CTI -i ./sample.inp -id sample -t sampleData.inp
#
# strip out variably dated stuff
#
cat sample.cti | sed '1,5s/^#.*$/#/' > samplea.cti
#
# Change all 3 character exponent expressions starting with 0
# into 2 character exponent expressions
# (MSVC++ defaults to 3, and I can't figure out how to change
# this behavior).
#
../../bin/exp3to2.sh samplea.cti > sampleb.cti
#
#
diff sampleb.cti sample_blessed.cti > diff_test.out
retnStat=$?
#
if [ $retnStat = "0" ]
then
echo "Successful diff comparison on ck2cti test (nasa9_reader/sample.inp)"
return 0
else
echo "########################################################"
echo "Unsuccessful diff comparison on ck2cti test (nasa9_reader/sample.inp)"
echo " For more information, see files:"
echo " test_problems/nasa9_reader/diff_test.out"
echo " test_problems/nasa9_reader/sampleb.cti"
echo " test_problems/nasa9_reader/sample_blessed.cti"
echo "########################################################"
return 1
fi

70
test_problems/nasa9_reader/sample_blessed.cti
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@@ -1,70 +0,0 @@
#
#
#
#
units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol")
ideal_gas(name = "sample",
elements = " O H Al Cl E Ar ",
species = """ ALCL3 e- AR """,
reactions = "all",
initial_state = state(temperature = 300.0,
pressure = OneAtm) )
#-------------------------------------------------------------------------------
# Species data
#-------------------------------------------------------------------------------
species(name = "ALCL3",
atoms = " Al:1 Cl:3 ",
thermo = (
NASA9( [ 200.00, 1000.00], [ 7.750600970E+04, -1.440779717E+03, 1.401744141E+01,
-6.381631240E-03, 5.871674720E-06, -2.908872278E-09,
5.994050890E-13, -6.579343180E+04, -4.494017799E+01] ),
NASA9( [ 1000.00, 6000.00], [ -1.378630916E+05, -5.579207290E+01, 1.004190387E+01,
-1.682165339E-05, 3.724664660E-09, -4.275526780E-13,
1.982341329E-17, -7.343407470E+04, -2.045130429E+01] )
),
note = " Gurvich,1996a pt1 p173 pt2 p134."
)
species(name = "e-",
atoms = " E:1 ",
thermo = (
NASA9( [ 298.15, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, -7.453750000E+02, -1.172081224E+01] ),
NASA9( [ 1000.00, 6000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, -7.453750000E+02, -1.172081224E+01] ),
NASA9( [ 6000.00, 20000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, -7.453750000E+02, -1.172081224E+01] )
),
note = " Ref-Species. Chase, 1998 3/82. "
)
species(name = "AR",
atoms = " Ar:1 ",
thermo = (
NASA9( [ 200.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, -7.453750000E+02, 4.379674910E+00] ),
NASA9( [ 1000.00, 6000.00], [ 2.010538475E+01, -5.992661070E-02, 2.500069401E+00,
-3.992141160E-08, 1.205272140E-11, -1.819015576E-15,
1.078576636E-19, -7.449939610E+02, 4.379180110E+00] ),
NASA9( [ 6000.00, 20000.00], [ -9.951265080E+08, 6.458887260E+05, -1.675894697E+02,
2.319933363E-02, -1.721080911E-06, 6.531938460E-11,
-9.740147729E-16, -5.078300340E+06, 1.465298484E+03] )
),
note = " Ref-Elm. Moore,1971. Gordon,1999.. "
)
#-------------------------------------------------------------------------------
# Reaction data
#-------------------------------------------------------------------------------