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adapt automatic mechanism analysis tests
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src/TestReactors.jl

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@@ -379,8 +379,7 @@ using SciMLSensitivity
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out = analyzespc(sim, "ethane", 0.01)
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s = getrxnanalysisstring(sim, out[1])
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@test s == "Analyzing ethane sensitivity to HO2+ethane<=>H2O2+C2H5 at a value of -0.0379814 \n\nKey branching for HO2 \nHO2+HO2<=>O2+H2O2 had a branching ratio of 0.632358 \nHO2+ethane<=>H2O2+C2H5 had a branching ratio of 0.358444 \n\nKey branching for ethane \nOH+ethane<=>H2O+C2H5 had a branching ratio of 0.576145 \nHO2+ethane<=>H2O2+C2H5 had a branching ratio of 0.328068 \nH+ethane<=>H2+C2H5 had a branching ratio of 0.0313989 \nO2+ethane<=>HO2+C2H5 had a branching ratio of 0.0291454 \nCH3+CH3<=>ethane had a branching ratio of 0.0165147 \nCH3+ethane<=>CH4+C2H5 had a branching ratio of 0.0145334 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 at path branching of 0.919341 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 at path branching of 0.919341 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 at path branching of 0.919341 \n\n\n"
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@test s == "Analyzing ethane sensitivity to HO2+ethane<=>H2O2+C2H5 at a value of -0.0379814 \n\nKey branching for HO2 \nHO2+HO2<=>O2+H2O2 had a branching ratio of 0.632358 \nHO2+ethane<=>H2O2+C2H5 had a branching ratio of 0.358444 \n\nKey branching for ethane \nOH+ethane<=>H2O+C2H5 had a branching ratio of 0.576145 \nHO2+ethane<=>H2O2+C2H5 had a branching ratio of 0.328068 \nH+ethane<=>H2+C2H5 had a branching ratio of 0.0313989 \nO2+ethane<=>HO2+C2H5 had a branching ratio of 0.0291454 \nCH3+CH3<=>ethane had a branching ratio of 0.0165147 \nCH3+ethane<=>CH4+C2H5 had a branching ratio of 0.0145334 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 (+) at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 (-) at path branching of 0.919341 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 (+) at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 (-) at path branching of 0.919341 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 (+) at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 (-) at path branching of 0.919341 \n\n\n"
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phaseDict = readinput("../src/testing/ethane.rms")
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spcs = phaseDict["phase"]["Species"]
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rxns = phaseDict["phase"]["Reactions"]
@@ -398,7 +397,7 @@ using SciMLSensitivity
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out = analyzespc(sysim.sims[2], "ethane", 0.01)
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s = getrxnanalysisstring(sysim.sims[2], out[1])
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@test s == "Analyzing ethane sensitivity to HO2+ethane<=>H2O2+C2H5 at a value of -0.0379814 \n\nKey branching for HO2 \nHO2+HO2<=>O2+H2O2 had a branching ratio of 0.632358 \nHO2+ethane<=>H2O2+C2H5 had a branching ratio of 0.358444 \n\nKey branching for ethane \nOH+ethane<=>H2O+C2H5 had a branching ratio of 0.576145 \nHO2+ethane<=>H2O2+C2H5 had a branching ratio of 0.328068 \nH+ethane<=>H2+C2H5 had a branching ratio of 0.0313989 \nO2+ethane<=>HO2+C2H5 had a branching ratio of 0.0291454 \nCH3+CH3<=>ethane had a branching ratio of 0.0165147 \nCH3+ethane<=>CH4+C2H5 had a branching ratio of 0.0145334 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 at path branching of 0.919341 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 at path branching of 0.919341 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 at path branching of 0.919341 \n\n\n"
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@test s == "Analyzing ethane sensitivity to HO2+ethane<=>H2O2+C2H5 at a value of -0.0379814 \n\nKey branching for HO2 \nHO2+HO2<=>O2+H2O2 had a branching ratio of 0.632358 \nHO2+ethane<=>H2O2+C2H5 had a branching ratio of 0.358444 \n\nKey branching for ethane \nOH+ethane<=>H2O+C2H5 had a branching ratio of 0.576145 \nHO2+ethane<=>H2O2+C2H5 had a branching ratio of 0.328068 \nH+ethane<=>H2+C2H5 had a branching ratio of 0.0313989 \nO2+ethane<=>HO2+C2H5 had a branching ratio of 0.0291454 \nCH3+CH3<=>ethane had a branching ratio of 0.0165147 \nCH3+ethane<=>CH4+C2H5 had a branching ratio of 0.0145334 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 (+) at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 (-) at path branching of 0.919341 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 (+) at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 (-) at path branching of 0.919341 \n\nAssociated key reaction path in ethane loss direction \nHO2+ethane<=>H2O2+C2H5 (+) at path branching of 0.328068 \nHO2+C2H4<=>O2+C2H5 (-) at path branching of 0.919341 \n\n\n"
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end
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#Parametrized T and P Ideal Gas

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