Surface reactions #753
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Surface reactions #753
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RemDelaporteMathurin
added
enhancement
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## fenicsx #753 +/- ##
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+ Coverage 97.70% 97.75% +0.05%
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Files 43 44 +1
Lines 2048 2098 +50
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+ Hits 2001 2051 +50
Misses 47 47 ☔ View full report in Codecov by Sentry. |
festim/hydrogen_transport_problem.py
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| all_bcs = self.boundary_conditions.copy() | ||
| for bc in self.boundary_conditions: | ||
| if isinstance(bc, F.SurfaceReactionBC): | ||
| all_bcs += bc.flux_bcs | ||
| all_bcs.remove(bc) |
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@jhdark here all_bcs could be a property I just don't want to modify self.boundary_conditions
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@KulaginVladimir would you like to give this a look? |
jhdark
approved these changes
Jul 31, 2024
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@jhdark I finally rebased with |
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| # TODO add this to the festim package | ||
| class FluxFromSurfaceReaction(F.SurfaceFlux): | ||
| def __init__(self, reaction: F.SurfaceReactionBC): | ||
| super().__init__( | ||
| F.Species(), # just a dummy species here | ||
| reaction.subdomain, | ||
| ) | ||
| self.reaction = reaction.flux_bcs[0] | ||
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|
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| def compute(self, ds): | ||
| self.value = fem.assemble_scalar( | ||
| fem.form(self.reaction.value_fenics * ds(self.surface.id)) | ||
| ) | ||
| self.data.append(self.value) |
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We should add this as a FESTIM feature
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Proposed changes
This PR fixes #727
Needs to be merged after #752
Also some refactoring. Got rid of
HTransportProblem.create_flux_value_fenicsand merged it withdefine_boundary_conditions(which breaks some of the tests). I happy to not do this here and keep it for another PR.Todo:
Types of changes
What types of changes does your code introduce to FESTIM?
Checklist
Further comments
@jhdark I chose not to make this a special case of the very generic class ParticleFluxBC (ie using a lambda function for value) to keep a simple implementation.