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Export average surface temperature #949

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Proposed changes

Adds export for average surface temperature.

Types of changes

What types of changes does your code introduce to FESTIM?

  • Bugfix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to not work as expected)
  • Code refactoring
  • Documentation Update (if none of the other choices apply)
  • New tests

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  • Unit tests pass locally with my changes
  • I have added tests that prove my fix is effective or that my feature works
  • I have added necessary documentation (if appropriate)

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codecov bot commented Feb 26, 2025

Codecov Report

Attention: Patch coverage is 91.78082% with 6 lines in your changes missing coverage. Please review.

Project coverage is 95.89%. Comparing base (96d62ff) to head (134a8ff).

Files with missing lines Patch % Lines
src/festim/hydrogen_transport_problem.py 45.45% 6 Missing ⚠️
Additional details and impacted files
@@             Coverage Diff             @@
##           fenicsx     #949      +/-   ##
===========================================
- Coverage    96.02%   95.89%   -0.13%     
===========================================
  Files           45       46       +1     
  Lines         2439     2511      +72     
===========================================
+ Hits          2342     2408      +66     
- Misses          97      103       +6     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

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@RemDelaporteMathurin RemDelaporteMathurin left a comment

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Hi @kaelyndunnell thanks for this, this is very much needed!

However I think it should be implemented differently:

  • It doesn't make sense to ask users to provide temperature_field as an argument of SurfaceTemperature since they don't have access to the fenics object (fem.Constant or fem.Temperature) before calling initialise and since exports are defined before calling initialise. Instead, I believe the class should not have this argument at all, and temperature_field is set as an attribute only inside HTransportProblem
for export in self.exports:
    if isinstance(export, SurfaceTemperature):
        export.temperature_field = self.temperature_fenics
  • SurfaceTemperature shares a lot of functionality with SurfaceQuantity: it should inherit from it
  • I'm thinking by looking at this we should revisit the design of these quantities @JonathanGSDUFOUR , I'll open an issue to describe my idea but here's the rough pitch
class SurfaceQuantity:
    def __init__(self, surface, filename):
        self.surface = surface
        self.filename = filename

        self.field = None   # this is no longer a user argument but only an attribute
     
    ...

class AverageSurfaceConcentration(SurfaceQuantity):
    def __init__(self, species, surface, filename):
        self.species = species
        super.__init__(surface, filename)

Inside HTransportProblem

def initialise_exports(self):
    for export in self.exports:
        if not hasattr(export, "species"):  # appropriate fenics functions are already stored in F.Species objects
            export.field = self.temperature_fenics 

import ufl
import festim as F

class SurfaceTemperature:
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I would be explicit an name it AverageSurfaceTemperature

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This should inherit from SurfaceQuantity

Suggested change
class SurfaceTemperature:
class SurfaceTemperature(F.SurfaceQuantity):

Comment on lines +45 to +53
@property
def surface(self):
return self._surface

@surface.setter
def surface(self, value):
if not isinstance(value, (int, F.SurfaceSubdomain)) or isinstance(value, bool):
raise TypeError("surface should be an int or F.SurfaceSubdomain")
self._surface = value
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This is duplicated from SurfaceQuantity. Can be removed when this class inherits from it

Comment on lines +31 to +43
@property
def filename(self):
return self._filename

@filename.setter
def filename(self, value):
if value is None:
self._filename = None
elif not isinstance(value, str):
raise TypeError("filename must be of type str")
elif not value.endswith(".csv") and not value.endswith(".txt"):
raise ValueError("filename must end with .csv or .txt")
self._filename = value
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Can be removed if inherits from SurfaceQuantity

Comment on lines +87 to +102
def write(self, t):
"""Writes the time and temperature value to the file.

Args:
t (float): current time value
"""
if self.filename is not None:
if self._first_time_export:
header = ["t(s)", f"{self.title}"]
with open(self.filename, mode="w+", newline="") as file:
writer = csv.writer(file)
writer.writerow(header)
self._first_time_export = False
with open(self.filename, mode="a", newline="") as file:
writer = csv.writer(file)
writer.writerow([t, self.value])
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Can be removed if inherits from SurfaceQuantity

@@ -786,6 +793,8 @@ def update_time_dependent_values(self):
if source.temperature_dependent:
source.update(t=t)

surface_temp_processed = False
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What is this? the indentation is odd, is this a leftover?

Comment on lines +831 to +838
elif isinstance(export, exports.SurfaceTemperature):
export.compute(self.ds) # compute surface temp

export.t.append(float(self.t)) # update export time

# if filename given write export data to file
if export.filename is not None:
export.write(t=float(self.t))
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These lines are not tested. That's because by design, it's impossible to use SurfaceTemperature in combination with HTransportProblem

@RemDelaporteMathurin RemDelaporteMathurin added enhancement New feature or request fenicsx Issue that is related to the fenicsx support labels Feb 26, 2025
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2 participants