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Gbrunin/analyzer refactoring#4

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gtaillandier merged 62 commits into
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gbrunin/analyzer_refactoring
Jun 23, 2026
Merged

Gbrunin/analyzer refactoring#4
gtaillandier merged 62 commits into
mainfrom
gbrunin/analyzer_refactoring

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@gbrunin

@gbrunin gbrunin commented Jun 11, 2026

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gbrunin and others added 30 commits June 4, 2026 14:28
@gbrunin
First step of the refactoring: adding a DropletGeometry object defini…
001c62b 
…ng the geometry + utilities.
@gbrunin
Slight update of DropletGeometry. Adding a TemporalAggregator to loop…
3832289 
… over batches of frames, that will be used to choose between a frame-by-frame analysis, batch-of-frames by batch-of-frames, or a concatenation of the whole trajectory.
@gbrunin
Added a WallDetector to locate wall atoms. For now it will be simple …
8f9685f 
…but can be extended later.
@gbrunin
Added Result container classes.
581c3d9
@gbrunin
Added extractors to find the interface between the liquid (drop) and …
ad6664a 
…vapor. This interface will be used to fit a circle or sphere, for slices or as a surface on the whole drop shape.
@gbrunin
Added fitters whose job is to fit circles/spheres based on interfaced…
6e3f83f 
… ata.
@gbrunin
Added base file for the trajectory analysis.
313a67d
@gbrunin
Skeleton for TrajectoryAnalyzer.
a8a1706
@gbrunin
Added CoupledBinning2DAnalyzer, which should replace the old binning …
934f135 
…method.
@gbrunin
Added the same for 3D spherical analysis.
f597924
@gbrunin
Importing new classes. Will start implementing now.
90c245c
@gbrunin
Merge branch 'main' into gbrunin/analyzer_refactoring
1c9d88e
@gbrunin
(auto) Paper PDF Draft
4830438
@gbrunin
Write density primitives, use them in legacy slicing.
034eceb
@gbrunin
Added rays_gaussian extractor.
c71bb77
@gbrunin
Added surface fitting for slicing.
4ed8bff
@gbrunin
Added surface fitting for whole surfaces.
0aae97c
@gbrunin
Updating and adding relevant tests.
328207a
@gbrunin
Added rays_binning extractor.
86f957a
@gbrunin
Added grid extractor of interface, slicing mode.
40c9bc7
@gbrunin
Added grid extractor of interface, whole surface mode.
444095d
@gbrunin
Coupled binning analyzer in 2D (old binning).
e7a11c7
@gbrunin
Coupled binning analyzer in 3D.
4478d49
@gbrunin
Comment in pyproject.
4cb0dd6
@gbrunin
Added tests, noticed and fixed a bug in Fibonacci algo where only the…
36f6c4f 
… sphere above the COM was sampled.
@gbrunin
Removed legacy code and tests. Update of visualization tools.
92e9d6d
@gbrunin
Gamma/beta renaming to azimuthal/polar in source code. Documentation …
d24ccbf 
…still needs to be updated.
@gbrunin
Merge branch 'main' into gbrunin/analyzer_refactoring
b9e7855
@gbrunin
Modified the analysis/ directory structure to make it clearer.
9682474
@gbrunin
Updated and augmented documentation.
a102458
@gbrunin
gbrunin requested a review from gtaillandier June 17, 2026 07:32
@gtaillandier

gtaillandier commented Jun 17, 2026 •
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  • Error in the tutorial and example of Whole-Fit Contact Angle with Bootstrap, quik change replace the wall parser wall_detector=WallDetector.min_plus_offset()
  • For the batchresult, in the case of Slicing batch results, it would be interesting to have the median and the mean of the angles
  • had an error when slicing.analyze(range(0, 50)) is bigger than the number of frame, it leads to false results and wrong angle_evolution.html
  • error "zi_f": 40.0 i too small at least "zi_f": 60.0 in /wetting_angle_kit/docs/tutorials//coupled_fit_3d_tuto.md
  • Add in the example an example with CoupledFit3DAnalyzer

@gtaillandier

gtaillandier commented Jun 17, 2026

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Maybe add more explaination about : the bootstrap method in the theoretical section

@gtaillandier

gtaillandier commented Jun 17, 2026 •
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It would be nice to have a section in the tutorial dedicated to this ========================== =========================================
surface_kind, geometry required ray params
========================== =========================================
slicing, spherical delta_azimuthal (+ delta_polar)
slicing, cylinder_x/y delta_cylinder (+ delta_polar)
whole, spherical n_rays_sphere
whole, cylinder_x/y delta_cylinder (+ delta_polar)
========================== ========================================= Because when i did some trials i was struggling to understand which required ray params before looking carefully at the API

gbrunin
gbrunin commented Jun 18, 2026
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Comment thread docs/source/introduction/theoretical_foundations.rst Outdated
Comment thread docs/source/introduction/theoretical_foundations.rst
Comment thread docs/source/introduction/theoretical_foundations.rst Outdated
Comment thread docs/source/introduction/theoretical_foundations.rst
Gabrieltaillandier and others added 12 commits June 18, 2026 19:09
Gabrieltaillandier
docs: update slicing tutorial, add coupled-fit 3d example, and comput…
e77af5f 
…e median angle in results.
@gtaillandier
(auto) Paper PDF Draft
46a7802
Gabrieltaillandier
refactor: standardize documentation comments and tutorials and codebase
ebf6c4e
Gabrieltaillandier
Merge branch 'gbrunin/analyzer_refactoring' of github.com:Matgenix/we…
b1a3ab9 
…tting-angle-kit into gbrunin/analyzer_refactoring
@gtaillandier
(auto) Paper PDF Draft
49fc8e1
Gabrieltaillandier
feat: add analysis module architecture diagram and wireframe sphere v…
eb79855 
…isualization to density contour plotter, while setting default azimuthal step for sampling modes.
Gabrieltaillandier
Merge branch 'gbrunin/analyzer_refactoring' of github.com:Matgenix/we…
fb504d1 
…tting-angle-kit into gbrunin/analyzer_refactoring
Gabrieltaillandier
docs: update modular workflow diagram, add 3D isosurface visualizatio…
2792bee 
…n tutorial, and refine paper documentation.
@gtaillandier
(auto) Paper PDF Draft
7a44455
Gabrieltaillandier
test: update grid slicing test to explicitly pass delta_azimuthal=Non…
9600d57 
…e for fail validation
Gabrieltaillandier
docs: updateaffiliation in paper metadata
1f898b4
@gtaillandier
(auto) Paper PDF Draft
0a9e543
@gtaillandier
gtaillandier merged commit 14bc54e into main Jun 23, 2026
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@gbrunin @gtaillandier