Architecture

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Fitbauer internal architecture

Fitbauer separates the Mössbauer computation from the graphical interface. The practical rule is:

core/  → physics, fitting, reconstruction, validation and result views
 gui/  → widgets, menus, sessions, render and user orchestration
CLIs   → headless clients of core/

Main layers

core/

Pure code, without Qt/Tk:

• physics.py: line shapes and component absorption.
• fit_engine.py: discrete fitting and bootstrap.
• mossbauer_distribution.py: fitting of P(BHF) / P(ΔEQ) distributions.
• session.py: ModelState and headless session.
• reconstruction.py: reconstruction of models, residuals, subspectra, areas and distribution curves.
• validation.py: structural and parameter-bounds validation.
• result_views.py: result reading API for reports and panels.
• params.py: canonical registry of parameters, defaults and bounds.

gui/

Modular Qt interface. It must not contain physics engines or heavy fitting logic.

• state.py: GUI snapshots (ComponentViewState, CalibrationViewState, DistributionViewState, UiActionState, etc.).
• fit_workflow.py: common GUI fitting flow: progress, errors and render.
• model_workflow.py: loading/folding, construction of FitState, plot/info update.
• discrete_fit.py and distribution_fit.py: specific orchestration of each mode.
• session_io.py: JSON session via ProjectState.
• reports.py: user outputs backed by core.result_views.
• compat.py: historical compatibility of symbols/patches from the old mossbauer_qt.py.

mossbauer_qt.py

Thin entry point. It should be limited to creating MossbauerQtWindow, re-exporting the necessary historical symbols and calling main().

Simplified data flow

WS5/ADT file
   ↓ core.folding / core.data_io
FileState
   ↓ GUI snapshots
ModelState / FitState
   ↓ core.fit_engine or distribution
FitResult / BhfDistributionFit
   ↓ core.reconstruction + core.result_views
Canvas / reports / exports

State and snapshots

The GUI avoids reading widgets directly from the logic. Each important panel exposes a snapshot:

• CalibrationPanel.to_view_state() → CalibrationViewState
• ComponentPanel.to_view_state() → ComponentViewState
• DistributionPanel.to_view_state() → DistributionViewState
• global actions → UiActionState

The snapshots are read-only. Writes still occur on widgets when results have to be applied, sessions loaded or menus synchronized.

Discrete and distribution fitting

Both modes share:

• progress dialog,
• error handling,
• result render,
• GuiFitResult and RuntimeResultState.

The physics is not merged: the discrete mode uses core.fit_engine; the distributions use mossbauer_distribution.py.

Validation

Before fitting, the GUI calls core.validation:

• discrete/bootstrap: validate_fit_state(...),
• distribution: validate_distribution_parameters(...).

The bounds come mainly from core.params.

Historical compatibility

Some tests/extensions patch symbols in mossbauer_qt.py. The compatibility is centralized in gui.compat.frontend_attr(...) and in HistoricalRuntimeCompatMixin. New code must depend on the real modules, not on those re-exports.