Added test for this example.
This commit is contained in:
Harry Moffat
parent
5181175474
commit
a7bbb072be
6 changed files with 232 additions and 6 deletions
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@ -1 +1,11 @@
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Makefile
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runtest
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buildlog
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ct2ctml.log
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diff_out_0.txt
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diff_rp.txt
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gri30.xml
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h2o2.xml
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output_0.txt
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rp.txt
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rxnpath.log
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@ -1,16 +1,27 @@
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#!/bin/sh
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PY_DEMOS = rxnpath1.py
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INST_DIR=@ct_demodir@/python/misc
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PYTHON_CMD = @PYTHON_CMD@
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run:
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@(for py in $(PY_DEMOS) ; do \
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echo "running $${py}..."; \
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$(PYTHON_CMD) "$${py}"; \
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done)
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$(PYTHON_CMD) rxnpath1.py
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test:
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./runtest
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install:
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@INSTALL@ -d $(INST_DIR)
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@INSTALL@ -c -m ug+rw,o+r Makefile $(INST_DIR)
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@INSTALL@ -c -m ug+rw,o+r rxnpath1.py $(INST_DIR)
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@INSTALL@ -c runtest $(INST_DIR)
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@INSTALL@ -c cleanup $(INST_DIR)
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@INSTALL@ -c -m ug+rw,o+r output_blessed_0.txt $(INST_DIR)
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@INSTALL@ -c -m ug+rw,o+r rp_blessed_0.txt $(INST_DIR)
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clean:
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rm -f *.log *.csv *.xml
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./cleanup
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# end of file
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5
Cantera/python/examples/misc/cleanup
Executable file
5
Cantera/python/examples/misc/cleanup
Executable file
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@ -0,0 +1,5 @@
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#!/bin/sh
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#
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/bin/rm -rf equilibrate_log*.html
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/bin/rm -rf .cttmp* ct2ctml.log transport_log.xml vcs_equilibrate_res*.csv \
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catcomb.csv output_0.txt diff*
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0
Cantera/python/examples/misc/output_blessed_0.txt
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0
Cantera/python/examples/misc/output_blessed_0.txt
Normal file
155
Cantera/python/examples/misc/rp_blessed_0.txt
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155
Cantera/python/examples/misc/rp_blessed_0.txt
Normal file
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reaction path diagram following N
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N N2 NO N2O NO2 NH HNO NH2 NNH CN NCO HCN HOCN HNCO H2CN HCNN HCNO NH3
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N N2 0.00104026 -2.38217e-21
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N NO 0.00151206 -1.02988e-11
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N N2O 0 -0
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N NO2 0 -0
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N NH 5.16804e-14 -3.95673e-05
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N HNO 0 -0
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N NH2 0 -0
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N NNH 0 -0
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N CN 2.43676e-36 -4.3908e-09
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N NCO 1.25836e-08 -2.93822e-27
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N HCN 1.06476e-17 -2.21016e-58
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N HOCN 0 -0
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N HNCO 0 -0
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N H2CN 6.86689e-17 -1.43981e-29
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N HCNN 0 -0
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N HCNO 0 -0
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N NH3 0 -0
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N2 NO 4.69799e-30 -0.00106523
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N2 N2O 1.22881e-10 -1.84291e-09
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N2 NO2 0 -0
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N2 NH 1.44133e-39 -2.48382e-05
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N2 HNO 0 -0
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N2 NH2 0 -0
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N2 NNH 1.74573e-05 -0.0119939
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N2 CN 1.22948e-29 -2.46168e-13
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N2 NCO 2.8537e-59 -1.42027e-07
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N2 HCN 2.38217e-21 -1.37092e-20
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N2 HOCN 0 -0
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N2 HNCO 0 -0
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N2 H2CN 1.51751e-45 -6.27665e-18
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N2 HCNN 5.25203e-13 -8.62786e-16
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N2 HCNO 0 -0
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N2 NH3 0 -0
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NO N2O 0.000107092 -1.47204e-13
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NO NO2 0.0940287 -0.0140354
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NO NH 2.7569e-26 -5.82741e-05
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NO HNO 0.0186433 -0.000907044
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NO NH2 0 -0
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NO NNH 8.06187e-10 -1.71577e-05
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NO CN 6.32055e-12 -5.71529e-22
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NO NCO 3.94462e-06 -2.11219e-07
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NO HCN 1.13412e-12 -2.8629e-38
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NO HOCN 0 -0
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NO HNCO 4.22158e-13 -1.14191e-44
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NO H2CN 1.21327e-23 -1.73567e-19
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NO HCNN 1.39685e-59 -2.9749e-18
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NO HCNO 5.95204e-14 -2.94842e-21
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NO NH3 0 -0
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N2O NO2 6.38469e-51 -5.24626e-11
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N2O NH 1.23193e-16 -0.000106943
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N2O HNO 0 -0
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N2O NH2 0 -0
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N2O NNH 0 -0
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N2O CN 0 -0
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N2O NCO 1.06252e-28 -1.49001e-07
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N2O HCN 0 -0
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N2O HOCN 0 -0
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N2O HNCO 0 -0
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N2O H2CN 0 -0
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N2O HCNN 0 -0
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N2O HCNO 0 -0
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N2O NH3 0 -0
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NO2 NH 0 -0
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NO2 HNO 0 -0
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NO2 NH2 0 -0
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NO2 NNH 0 -0
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NO2 CN 0 -0
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NO2 NCO 0 -0
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NO2 HCN 0 -0
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NO2 HOCN 0 -0
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NO2 HNCO 0 -0
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NO2 H2CN 0 -0
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NO2 HCNN 0 -0
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NO2 HCNO 0 -0
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NO2 NH3 0 -0
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NH HNO 0.000115502 -4.98247e-08
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NH NH2 1.19415e-10 -2.31562e-06
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NH NNH 8.06187e-10 -1.71577e-05
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NH CN 0 -0
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NH NCO 1.23977e-16 -2.00204e-07
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NH HCN 4.59818e-24 -1.31698e-12
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NH HOCN 0 -0
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NH HNCO 1.56376e-08 -4.66539e-12
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NH H2CN 0 -0
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NH HCNN 0 -0
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NH HCNO 0 -0
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NH NH3 0 -0
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HNO NH2 2.19605e-15 -9.06636e-06
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HNO NNH 0 -0
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HNO CN 0 -0
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HNO NCO 0 -0
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HNO HCN 0 -0
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HNO HOCN 0 -0
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HNO HNCO 9.32896e-39 -5.87324e-27
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HNO H2CN 0 -0
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HNO HCNN 0 -0
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HNO HCNO 0 -0
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HNO NH3 0 -0
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NH2 NNH 0 -0
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NH2 CN 0 -0
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NH2 NCO 0 -0
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NH2 HCN 3.73704e-23 -1.76069e-15
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NH2 HOCN 0 -0
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NH2 HNCO 2.83399e-12 -5.83816e-10
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NH2 H2CN 0 -0
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NH2 HCNN 0 -0
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NH2 HCNO 1.05191e-41 -2.98008e-15
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NH2 NH3 9.1441e-08 -2.75785e-07
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NNH CN 0 -0
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NNH NCO 0 -0
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NNH HCN 0 -0
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NNH HOCN 0 -0
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NNH HNCO 0 -0
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NNH H2CN 0 -0
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NNH HCNN 0 -0
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NNH HCNO 0 -0
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NNH NH3 0 -0
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CN NCO 1.64222e-08 -2.96648e-13
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CN HCN 5.43066e-10 -1.59654e-13
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CN HOCN 0 -0
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CN HNCO 0 -0
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CN H2CN 0 -0
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CN HCNN 0 -0
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CN HCNO 0 -0
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CN NH3 0 -0
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NCO HCN 2.97308e-14 -5.27313e-12
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NCO HOCN 0 -0
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NCO HNCO 7.7348e-10 -1.51694e-09
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NCO H2CN 0 -0
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NCO HCNN 0 -0
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NCO HCNO 0 -0
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NCO NH3 0 -0
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HCN HOCN 5.52607e-15 -1.02675e-11
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HCN HNCO 1.02745e-13 -3.32551e-19
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HCN H2CN 2.05133e-10 -7.9188e-19
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HCN HCNN 1.39685e-59 -2.9749e-18
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HCN HCNO 5.52908e-34 -3.32464e-15
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HCN NH3 0 -0
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HOCN HNCO 8.06191e-11 -1.4044e-19
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HOCN H2CN 0 -0
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HOCN HCNN 0 -0
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HOCN HCNO 0 -0
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HOCN NH3 0 -0
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HNCO H2CN 0 -0
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HNCO HCNN 0 -0
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HNCO HCNO 2.99521e-38 -5.56443e-14
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HNCO NH3 0 -0
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H2CN HCNN 0 -0
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H2CN HCNO 0 -0
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H2CN NH3 0 -0
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HCNN HCNO 0 -0
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HCNN NH3 0 -0
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HCNO NH3 0 -0
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45
Cantera/python/examples/misc/runtest.in
Executable file
45
Cantera/python/examples/misc/runtest.in
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#!/bin/sh
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#
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#
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temp_success="1"
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/bin/rm -f output_0.txt diff_csv.txt diff_out_0.txt
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##########################################################################
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PYTHON_CMD=@PYTHON_CMD@
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prog=rxnpath1.py
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if test ! -f $prog ; then
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echo $prog ' does not exist'
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exit -1
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fi
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#################################################################
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#
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CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
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CANTERA_BIN=${CANTERA_BIN:=../../../bin}
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#################################################################
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$PYTHON_CMD $prog >output_0.txt
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retnStat=$?
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if [ $retnStat != "0" ]
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then
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temp_success="0"
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echo "$prog returned with bad status, $retnStat, check output"
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fi
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diff -w output_blessed_0.txt output_0.txt > diff_out_0.txt
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retnStat_0=$?
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retnTotal=1
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if test $retnStat_0 = "0"
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then
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retnTotal=0
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fi
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if test $retnTotal = "0"
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then
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echo "Successful test comparison on "`pwd`
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else
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echo "Unsuccessful test comparison of txt files on "`pwd` " test"
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fi
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