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Raising NotImplementedError for some #TODO items, fixing units.
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As discussed in #2321 (comment)
But maybe we just merge #2597
and rebase this onto that.
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rwest committed Jun 24, 2024
1 parent 9112588 commit 10fa446
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion rmgpy/kinetics/surface.pyx
Original file line number Diff line number Diff line change
Expand Up @@ -609,9 +609,11 @@ cdef class SurfaceArrhenius(Arrhenius):
import cantera as ct

A = self._A.value_si
raise NotImplementedError("The units need fixing from mol to kmol?")
# SEE https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2597/
b = self._n.value_si
Ea = self._Ea.value_si * 1000 # convert from J/mol to J/kmol

raise NotImplementedError("Should return InterfaceArrheniusRate(A, b, E)? (and fix docstrings)")
return ct.Arrhenius(A, b, Ea)


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