It is not clear what all the examples we have in RMG-tests are supposed to test. We should probably review what features we want each job to test. Here is a list of the ones we are currently running on Travis:
eg1: ethane pyrolysis, no p-dep
eg3: liquid octane oxidation, octane as solvent, very light pruning
eg5: n-heptane pyrolysis with p-dep
eg6: ethane oxidation with p-dep
eg7 ethane pyrolysis, no pdep, tighter addToCore tolerance, but looser finish criteria than eg1
MCH: methyl cyclohexane oxidation, no pdep
NC: methyl amine oxidation, no pdep
solvent_hexane: liquid hexane oxidation, hexane as solvent
methane: methane oxidation, no pdep
Although I don't know the story behind all of these, it seems the pairs eg1/eg7, eg5/eg6, eg3/solvet_hexane, and methane/eg6 have some degree of unnecessary redundancy.
It is not clear what all the examples we have in RMG-tests are supposed to test. We should probably review what features we want each job to test. Here is a list of the ones we are currently running on Travis:
eg1
: ethane pyrolysis, no p-depeg3
: liquid octane oxidation, octane as solvent, very light pruningeg5
: n-heptane pyrolysis with p-depeg6
: ethane oxidation with p-depeg7
ethane pyrolysis, no pdep, tighter addToCore tolerance, but looser finish criteria than eg1MCH
: methyl cyclohexane oxidation, no pdepNC
: methyl amine oxidation, no pdepsolvent_hexane
: liquid hexane oxidation, hexane as solventmethane
: methane oxidation, no pdepAlthough I don't know the story behind all of these, it seems the pairs
eg1
/eg7
,eg5
/eg6
,eg3
/solvet_hexane
, andmethane
/eg6
have some degree of unnecessary redundancy.Features currently tested:
Features not currently tested sufficiently: