DevNotes_GSC_WG

Presentation from the WG meetings GSC_refactoring.pdf

User Stories (as an outcome of March 17th):

• As a PhD student / postdoc / experimentalist, I want to start by selecting BioSAS / Soft matter / Magnetic / Other?, so that the UI shows only the inputs and options relevant to me.
• As a user, I want to load PDB / SLD grids / VTK meshes / magnetic data (and later MD/trajectory formats), so that I can compute scattering without guessing file conventions.
• As an instrument scientist, I want immediate validation of units, voxel size, coordinate frames, volume/normalization, so that results are reproducible and “wrong-by-default” is avoided.
• As a user, I want the tool to record what I loaded, what transforms were applied, and what engine/settings were used, so that I can reproduce results and include them in proposals/publications.
• As an experimentalist (SAXS/SANS), I want a one-click I(q) and/or 2D pattern preview, so that I can understand how my system’s scattering should look.
• As a SANS/BioSAS user, I want to set solvent SLD/contrast (and ideally hydration/solvation options where relevant), so that the calculated scattering matches physical reality.
• As a user planning an experiment, I want to perturb parameters (e.g., scale, volume, contrast, structure transform, magnetization) and see how the pattern changes, so that I can assess sensitivity and feasibility.
• As a simulator / ML user, I want to run parameter sweeps and export curves + metadata, so that I can generate training datasets or explore limits of analytical models.
• As a user, I want to load experimental data and fit key parameters (scale/background/contrast and selected model params) directly from GSC results, so that the tool supports real analysis—not just preview.
• As a BioSAS/IDP scientist, I want to compute scattering from an ensemble and optionally average across frames/structures, so that I can generate realistic ensemble patterns.
• As a simulator (Gromacs/MD), I want to load trajectories (e.g., DCD/MD formats) and compute time-averaged scattering, so that I can compare simulation to experiment.
• As a power user, I want to export the computed object as a reusable plugin model, so that I can fit it repeatedly and share it with collaborators.
• As a developer, I want GSC to be a Perspective (not a single monolithic Tool), so that it can support fitting, host multiple workflows cleanly and scale with new engines/modalities.
• As a developer, I want the UI to show/hide controls based on entry type + modality + engine capabilities, so that users don’t see irrelevant options and we avoid “tabs for everything.”
• As a developer, I want a stable engine interface (inputs/outputs/capability flags) so that we can integrate new backends (e.g., ShapeSpyer) without rewriting the UI.
• As a maintainer, I want test cases for bio, soft matter, magnetic, and ensemble modes, so that refactors don’t silently change scientific results.