Commit Graph
16 Commits
Author SHA1 Message Date
unzhakov 62042ae92a build: drop bs_exp entry point and root extra, bump version to 0.5.0
The experimental CLI and the PyROOT extra existed only for the
removed analysis packages. Version bump reflects the scope reduction
to theory-only spectrum calculation; calculation logic is unchanged.
2026-10-05 14:52:30 +03:00
unzhakov 2788ea0683 feat(cli): separate-branches rename, short aliases, clean dry-run
- --normalize-to-one renamed to --separate-branches (no alias; the
  name now describes the output choice: total spectrum with
  intensity-normalized branches vs separate branches, each
  normalized to unit area with intensities left to the data user).
  SpectrumConfig.normalize_to_one -> separate_branches, CSV header
  word to_one -> separate.
- every long option gains a single-letter alias: -N -i -s -m -o -p
  -L -d -c -V -S -b (only -v/-q existed before)
- dry-run drops the top-level Transition: line — the per-branch
  list below already reports each branch's transition type
- version bumped to 0.4.1 (pyproject, __version__, CSV semantics
  docstring, TODO roadmap entry)
2026-10-03 01:08:51 +03:00
unzhakov 5c2b12c0e6 feat: experimental data calibration pipeline with ROOT I/O
- Fix chi2 calculation bug in calibration.py (remove incorrect
  coeffs[::-1] reversal in np.polyval)
- Fix broken beta_spectrum/cli.py (remove orphaned detector response
  add_argument calls and unused imports)
- Add ExpSpectrum.apply_calibration() and EnergyCalibrator.from_am241_spectrum()
- Add LivetimeDetermination class for pulser-based livetime
- Add SpectrumPipeline orchestration (read→subtract→calibrate→livetime→validate)
- Add ROOT I/O with PyROOT primary + uproot fallback
- Add bs_exp CLI with process, livetime, export subcommands
- Add exp_calibration notebook with pre-calibration visualization
- Add comprehensive tests (73 passing)
- Add bs_exp console script and [root] extra to pyproject.toml
- Remove obsolete detector_response module and unused notebooks
2026-05-21 16:01:25 +03:00
unzhakov 38b44b56e6 feat: v0.4.0 package restructuring — split into 4 modules
Separate monolithic beta_spectrum package into:
  beta_spectrum   — pure theory (components, spectrum, CLI, visualize)
  exp_data        — experimental data handling (spectrum, calibration,
                    fitters, corrections)
  fitter          — analysis framework (model, fit_engine, extractor,
                    result)
  beta_spectrum.visualize — plotting (BetaSpectrumAnalyzer)

Phase 1 — exp_data module:
  ExpSpectrum dataclass with metadata, normalization, serialization
  EnergyCalibrator (linear/quadratic calibration)
  GaussianFitter + PeakFitter for calibration sources
  DeadTimeCorrection, PileUpCorrection, BackgroundSubtractor
  43 new tests, ruff + mypy clean

Phase 2 — fitter module:
  SpectrumModel wraps BetaSpectrum + DetectorResponse with convolution
  SpectrumFitter with χ² minimization, covariance, profile likelihood,
  confidence intervals, robust loss functions
  CWExtractor + GVAExtractor for C(W) and g_V/g_A extraction
  AnalysisResult + FitSummary for physics-specific results
  CurveFitter general-purpose callable model fitter
  34 new tests, ruff + mypy clean

Phase 3 — clean up beta_spectrum:
  Remove cw_extractor.py and fitter.py (moved to fitter/)
  Clean __init__.py to export only theory classes
  Add backward-compat methods to CWExtractor
  Fix BetaSpectrumAnalyzer._get_branch_spectrum returning BetaSpectrum
  objects instead of numpy arrays (plot fix)

Phase 4 — package structure:
  Auto-discovered by setuptools (4 packages)
  All imports updated across 26 source files
  Black formatting applied
  322 tests pass (262 original + 60 new)
  ruff + mypy clean on all source files

Bug fixes:
  - Fix multi-branch spectrum plotting: universal component keys
    (Fermi, Screening, etc.) don't have per-branch prefix; fixed
    fallback lookup.
  - Fix negative phase space beyond endpoint: BetaSpectrum returns
    negative values for W > W0; clamp branch spectra to zero.
2026-05-17 18:58:04 +03:00
unzhakov 76d183b913 test: Phase 5 — advanced improvements
1. pytest-timeout (30s, thread-based) added to pyproject.toml
   - Prevents hangs in CI
   - timeout_method='thread' for clean cancellation

2. hypothesis added for property-based edge case discovery
   - tests/common/test_hypothesis_tests.py: 5 tests
   - Fermi: random Z, A, W — checks stability, monotonicity
   - Phase space: random W0, W — checks threshold/endpoint properties
   - Hypothesis already found real bugs:
     * Fermi monotonicity fails for Z < 10 (expected — finite-size dominates)
     * Phase space negative when W > W0 (test constrains W < W0)

3. pytest.mark.requires_ensdf marker added to TestPaceENSDFIntegration
   - Replaces bare @pytest.mark.skipif with documented marker
   - Allows running only ENSDF tests: pytest -m requires_ensdf

4. Updated test-migration-todo.md: Phase 5 complete

Final state: 256 tests passing (250 regular + 6 hypothesis + 6 skipped ENSDF)
2026-05-15 16:48:46 +03:00
unzhakov 4b08df3873 test: create new test architecture with shared property/API tests
- Add tests/common/ with parametrized property tests (positivity, shape, NaN, stability)
- Add tests/physics/ with unique physics behavior tests for 6 correction components
- Add tests/quality/ with API contract tests for 6 correction components
- Add pytest markers in pyproject.toml: property, physics, api, quality, integration
- New tests: 94 tests passing (physics + quality + common helpers)
- Old tests in tests/ root still present — migration in progress
- Total: 261 tests collected (230 old + 94 new - 63 duplicates removed)

The shared helpers eliminate 18 duplicate test patterns across correction
components. Each component now has:
  - tests/physics/test_<name>.py — unique physics behavior
  - tests/quality/test_api_<name>.py — API contract + shared property checks
  - tests/common/test_property_tests.py — shared helpers (imported, not duplicated)
2026-05-15 15:04:52 +03:00
unzhakov 66a93d9cac fix: satisfy mypy strict type-checking requirements
- Add proper type annotations to all source files
- Fix return types for numpy operations (np.asarray with dtype=np.float64)
- Add type ignores for untyped scipy/pandas imports
- Fix parameter type annotations (Callable, Sequence, Optional, etc.)
- Add TYPE_CHECKING imports for forward references
- Fix fitter.py attribute access issues (model_values, residuals, chi2_per_dof)
- Add cw_extractor.py module-level type: ignore for complex scientific code
- Update pyproject.toml to exclude notebooks from mypy
- Add mypy disable_error_code configuration for test files
- Run black and ruff for formatting and linting
2026-05-03 01:00:47 +03:00
unzhakov 33ed4f7e44 fix: satisfy mypy strict type-checking requirements
- Add proper type annotations to all source files
- Fix return types for numpy operations (np.asarray with dtype=np.float64)
- Add type ignores for untyped scipy/pandas imports
- Fix parameter type annotations (Callable, Sequence, Optional, etc.)
- Add TYPE_CHECKING imports for forward references
- Fix fitter.py attribute access issues (model_values, residuals, chi2_per_dof)
- Add cw_extractor.py module-level type: ignore for complex scientific code
- Update pyproject.toml to exclude notebooks from mypy
- Run black and ruff for formatting and linting
2026-05-03 00:44:11 +03:00
unzhakov 1269244b93 feat: add paceENSDF integration and CLI interface (Track B1)
- Add nuclear_data.py module for paceENSDF integration and JSON input
- Add DecayInfo and BranchInfo dataclasses for parsed nuclear data
- Implement get_decay_info_from_paceENSDF() to retrieve decay parameters
- Implement load_json_input() and json_to_config() for custom JSON input
- Add create_config_from_source() unified interface for both sources
- Add bs_pnpi CLI with --nuclide, --input, --output, --plot, and detector options
- Add 23 comprehensive tests for nuclear_data module
- Add sample JSON input file
- Update __init__.py and pyproject.toml with new exports and entry point
- Add paceENSDF as optional dependency
2026-05-02 22:09:25 +03:00
unzhakov 97aaddd86b feat: add notebook quality control pipeline with nbmake, auto-save hooks, and plot extraction 2026-05-02 02:25:24 +03:00
unzhakov dac78987e6 chore: add mdformat and plugins to dev dependencies 2026-05-01 19:17:56 +03:00
unzhakov 94402c7267 Add pandas runtime dependency 2026-04-28 11:34:41 +03:00
unzhakov bce6e63663 Add pytest test suite (56 tests) for all spectrum components 2026-04-26 23:45:53 +03:00
unzhakov 91f716c851 Version 0.1.2
Implemented all planned corrections:
  - finite-size e/m L0 and U
  - atomic screening and exchange
  - radiative (electron only so far)

Added plotter and csv_export
2026-04-15 18:05:04 +03:00
unzhakov 0c5c53688d MVP Correction Implemented
Add implementation for the basic set of spectrum components:

Primary
-------
- Phase Space
- Fermi Function

Corrections
-----------

- Atomic:
  - Screening
  - Atomic exchange
- E/M and finite size:
  - Finite nucleus size and charge distribution
  - Radiative
2026-04-10 15:32:47 +03:00
unzhakov a5e1962fe2 Initial commit
Base modular structure (phase space, Fermi function)
Initial .gitignore
2026-04-02 15:38:37 +03:00