NetworkError: Unexpected type of path reaction in measure/network.py(382)

[rwest]

When running RMG with PDep for my methyl formate test case, I end up with a NetworkError:

NetworkError: Unexpected type of path reaction "C2H3O(74) <=> CO(7) + CH3(10)" 
in rmgpy/measure/network.py(382)calculateMicrocanonicalRates()

The network in question is

========================================================================
Network Information
-------------------
Isomers:
    CH2CHO(34)                                            8.30956 kJ/mol
Reactant channels:
    CO(7) + CH3(10)                                       17.7746 kJ/mol
Product channels:
    cC2H3O(239)                                           158.188 kJ/mol
    H(30) + CH2CO(29)                                     153.561 kJ/mol
    H(30) + C2H2O(83)                                     394.282 kJ/mol
    C2H3O(74)                                            -19.9272 kJ/mol
    H(30) + C2H2O(67)                                     362.957 kJ/mol
    C2H3O(75)                                             107.003 kJ/mol
    C2H3O(241)                                            122.318 kJ/mol
    O(17) + C2H3(25)                                      534.417 kJ/mol
Path reactions:
    CH2CHO(34) <=> CO(7) + CH3(10)                        177.034 kJ/mol
    cC2H3O(239) <=> CH2CHO(34)                            220.923 kJ/mol
    CH2CHO(34) <=> H(30) + CH2CO(29)                      199.125 kJ/mol
    H(30) + C2H2O(83) <=> CH2CHO(34)                      394.026 kJ/mol
    CH2CHO(34) <=> C2H3O(74)                              178.183 kJ/mol
    H(30) + C2H2O(67) <=> CH2CHO(34)                      363.073 kJ/mol
    CH2CHO(34) <=> C2H3O(75)                              217.696 kJ/mol
    CH2CHO(34) <=> C2H3O(241)                             209.758 kJ/mol
    O(17) + C2H3(25) <=> CH2CHO(34)                       534.417 kJ/mol
    C2H3O(74) <=> CO(7) + CH3(10)                         50.7615 kJ/mol
    H(30) + CH2CO(29) <=> C2H3O(74)                       164.552 kJ/mol
    H(30) + C2H2O(83) <=> C2H3O(74)                       394.026 kJ/mol
    C2H3O(74) <=> CH2CHO(34)                              150.934 kJ/mol
========================================================================

When I try to run the generated network__.py file in stand-alone measure.py it complains about two different reactions:

ERROR: The input file "examples/rmg/methylformate/pdep/network216_1.py" was invalid:
For path reaction "H(30) + CH2CO(29) <=> C2H3O(74)":
* Both the reactants and the products are product channels.

For path reaction "H(30) + C2H2O(83) <=> C2H3O(74)":
* Both the reactants and the products are product channels.

[rwest]

This is occurring again. The current network file is at
http://rmg.mit.edu/measure/networks/3839bcebb57211fbd81657129f62c356

[jwallen]

The problem occurs as a result of merging two partial networks together. Both networks have CO(7) + CH3(10) as the reactant channel (and source configuration) -- otherwise they couldn't be merged. The first network has only CH2CHO(34) as an explored isomer, while the second has both CH2CHO(34) and C2H3O(74) as explored isomers. Clearly the merged network should have both CH2CHO(34) and C2H3O(74) as explored isomers. Note, however, that in the merged network above only CH2CHO(34) is listed as an isomer, while C2H3O(74) is listed as a product channel. Since reactant channel -> product channel path reactions are not allowed, the error is generated.

I will push a fix for this shortly (there's actually two mistakes in the network merging algorithm). Incidentally, this is the last PDepNetwork for methylformate before the first ODE solve, but there is another bug involving reaction generation that occurs immediately thereafter.