✨ Added temperature-aware operational domain simulation. #646

Drewniok · 2025-01-25T16:00:25Z

Description

This PR expands the operational domain simulation to include temperature. It is now possible to simulate temperature at each parameter point, creating a temperature-aware operational domain.

Checklist:

The pull request only contains commits that are related to it.
I have added appropriate tests and documentation.
I have added a changelog entry.
I have created/adjusted the Python bindings for any new or updated functionality.
I have made sure that all CI jobs on GitHub pass.
The pull request introduces no new warnings and follows the project's style guidelines.

Signed-off-by: GitHub Actions <actions@github.com>

…erational domain.

Signed-off-by: GitHub Actions <actions@github.com>

github-actions

clang-tidy made some suggestions

bindings/mnt/pyfiction/include/pyfiction/inout/write_operational_domain.hpp

test/algorithms/simulation/sidb/operational_domain.cpp

codecov · 2025-01-25T17:56:05Z

Codecov Report

Attention: Patch coverage is 95.56314% with 26 lines in your changes missing coverage. Please review.

Project coverage is 98.37%. Comparing base (a811148) to head (503dbdf).
Report is 1 commits behind head on main.

Files with missing lines	Patch %	Lines
.../algorithms/simulation/sidb/operational_domain.hpp	90.57%	13 Missing ⚠️
test/io/write_operational_domain.cpp	95.58%	6 Missing ⚠️
include/fiction/io/write_operational_domain.hpp	88.88%	4 Missing ⚠️
.../algorithms/simulation/sidb/operational_domain.cpp	98.46%	2 Missing ⚠️
...st/algorithms/simulation/sidb/time_to_solution.cpp	50.00%	1 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #646      +/-   ##
==========================================
- Coverage   98.41%   98.37%   -0.04%     
==========================================
  Files         252      254       +2     
  Lines       40856    41113     +257     
  Branches     1863     1872       +9     
==========================================
+ Hits        40208    40446     +238     
- Misses        648      667      +19

Files with missing lines	Coverage Δ
...clude/fiction/algorithms/physical_design/exact.hpp	`89.62% <ø> (ø)`
...imulation/sidb/calculate_energy_and_state_type.hpp	`100.00% <ø> (ø)`
...hms/simulation/sidb/can_positive_charges_occur.hpp	`100.00% <100.00%> (ø)`
...ion/algorithms/simulation/sidb/clustercomplete.hpp	`99.27% <100.00%> (ø)`
...lgorithms/simulation/sidb/critical_temperature.hpp	`96.57% <100.00%> (ø)`
...on/algorithms/simulation/sidb/defect_clearance.hpp	`100.00% <100.00%> (ø)`
...on/algorithms/simulation/sidb/defect_influence.hpp	`96.51% <100.00%> (-0.05%)`	⬇️
...algorithms/simulation/sidb/energy_distribution.hpp	`100.00% <100.00%> (ø)`
.../sidb/equivalence_check_for_simulation_results.hpp	`100.00% <100.00%> (ø)`
.../algorithms/simulation/sidb/ground_state_space.hpp	`100.00% <100.00%> (ø)`
... and 28 more

... and 2 files with indirect coverage changes

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test/io/write_operational_domain.cpp

@@ -173,3 +200,148 @@
        }
    }
 }
+
+TEST_CASE("Write operational domain with floating-point parameter and temperature values", "[write-operational-domain]")


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github-actions

clang-tidy made some suggestions

include/fiction/algorithms/simulation/sidb/operational_domain.hpp

test/algorithms/simulation/sidb/operational_domain.cpp

# Conflicts: # experiments/equivalence_checking_exact_simulation/equivalence_checking_exact_simulation.cpp

marcelwa

Thank you very much for the restructuring. I think it's already so much cleaner. I spotted some locations where I'd like to offer feedback to hopefully improve upon it even further. Hopefully, this is helpful to you.

include/fiction/algorithms/simulation/sidb/operational_domain.hpp

bindings/mnt/pyfiction/include/pyfiction/algorithms/simulation/sidb/operational_domain.hpp

include/fiction/io/write_operational_domain.hpp

include/fiction/algorithms/simulation/sidb/sidb_simulation_domain.hpp

include/fiction/algorithms/simulation/sidb/operational_domain.hpp

include/fiction/utils/map_utils.hpp

github-actions

clang-tidy made some suggestions

include/fiction/algorithms/simulation/sidb/operational_domain.hpp

include/fiction/algorithms/simulation/sidb/sidb_simulation_domain.hpp

test/algorithms/simulation/sidb/operational_domain.cpp

Signed-off-by: GitHub Actions <actions@github.com>

…nto add_fom_to_operational_domain

github-actions

clang-tidy made some suggestions

include/fiction/algorithms/simulation/sidb/operational_domain.hpp

marcelwa

Thanks a lot for addressing my comments so swiftly. The code is a lot cleaner already. Well done! I think, after another iteration, we should be ready to merge 🙂

include/fiction/algorithms/simulation/sidb/sidb_simulation_domain.hpp

include/fiction/algorithms/simulation/sidb/operational_domain.hpp

bindings/mnt/pyfiction/include/pyfiction/algorithms/simulation/sidb/operational_domain.hpp

marcelwa · 2025-02-08T17:27:53Z

...s/mnt/pyfiction/include/pyfiction/algorithms/simulation/sidb/physically_valid_parameters.hpp

@@ -37,21 +37,20 @@ inline void physically_valid_parameters(pybind11::module& m)
 {
    namespace py = pybind11;

-    py::class_<fiction::operational_domain<fiction::parameter_point, uint64_t>>(m, "physically_valid_parameters_domain")
+    py::class_<fiction::sidb_simulation_domain<fiction::parameter_point, uint64_t>>(


Missing docstrings for the class and member functions

The problem is that the docstring is not generated. Do you have an idea why?

Unfortunately not. I have observed this behavior a few times myself as well. It's really mysterious to me 🤔

okay, can we merge it anyway?

cli/cmd/simulation/opdom.hpp

include/fiction/io/write_defect_influence_domain.hpp

Drewniok · 2025-02-09T14:32:48Z

Thanks a lot for addressing my comments so swiftly. The code is a lot cleaner already. Well done! I think, after another iteration, we should be ready to merge 🙂

Thank you so much for your quick and extensive support!

Signed-off-by: GitHub Actions <actions@github.com>

github-actions

clang-tidy made some suggestions

cli/cmd/simulation/opdom.hpp

test/algorithms/simulation/sidb/operational_domain.cpp

actions-user and others added 22 commits December 12, 2024 15:52

📝 Update pyfiction docstrings

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Merge branch 'cda-tum:main' into main

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📝 Update pyfiction docstrings

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Merge branch 'cda-tum:main' into main

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✨ add an option to simulate the critical temperature on top of the op…

f6b0cb1

…erational domain.

📝 Update pyfiction docstrings

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✅ add unit test.

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Merge branch 'main' into add_fom_to_operational_domain

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📝 Update pyfiction docstrings

7507fc2

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Drewniok changed the title ~~✨ Added temperature-aware operational domain.~~ ✨ Added temperature-aware operational domain simulation. Jan 25, 2025

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☔ increase coverage by adding more tests.

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Drewniok and others added 3 commits January 26, 2025 13:36

🎨 small fix.

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📝 Update pyfiction docstrings

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Merge branch 'main' into add_fom_to_operational_domain

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Drewniok and others added 5 commits February 3, 2025 08:05

📝 small fix.

683c66d

🎨 small fix.

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📝 small update.

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📝 Update pyfiction docstrings

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📝 small update.

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Drewniok requested a review from marcelwa February 3, 2025 07:50

💚 try to fix windows CI.

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Merge branch 'main' into add_fom_to_operational_domain

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# Conflicts: # experiments/equivalence_checking_exact_simulation/equivalence_checking_exact_simulation.cpp

marcelwa requested changes Feb 5, 2025

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Drewniok added 2 commits February 7, 2025 14:59

🎨 integrate Marcel's feedback.

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Merge branch 'main' into add_fom_to_operational_domain

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Drewniok and others added 5 commits February 7, 2025 16:41

🎨 small fix.

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📝 Update pyfiction docstrings

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🎨 clang-tidy fix.

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Drewniok and others added 3 commits February 9, 2025 15:33

🎨 implement Marcel's feedback.

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Merge branch 'main' into add_fom_to_operational_domain

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📝 Update pyfiction docstrings

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Drewniok added 3 commits February 9, 2025 17:35

🎨 implement Marcel's feedback.

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✨ Added temperature-aware operational domain simulation. #646

✨ Added temperature-aware operational domain simulation. #646

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Drewniok commented Jan 25, 2025

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