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Fix: Set default surface name for compatibility with Cantera 3.1
The ck2yaml that comes with Cantera 3.1 needs the surface site to be named. Because there's no 3.2 binaries in conda-forge for Python 3.9, we'll end up installing 3.1 in most people's environments, so let's be compatible with it (even if it's wrong).
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rmgpy/chemkin.pyx

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -2168,7 +2168,7 @@ def save_chemkin_surface_file(path, species, reactions, verbose=True, check_for_
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sorted_species = sorted(species, key=lambda species: species.index)
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# Species section
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surface_name = None
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surface_name = 'SURF0' # Some ck2yaml versions (Cantera 3.1) require a name.
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if surface_name:
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f.write('SITE/{}/'.format(surface_name))
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else:

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