pyirena 0.3.3__py3-none-any.whl

pyirena/__init__.py

@@ -0,0 +1,62 @@
+"""
+pyIrena: Python tools for small-angle scattering data analysis
+
+This package provides comprehensive tools for analyzing SAXS/SANS/USAXS data,
+including the Unified Fit model (Beaucage method) for hierarchical structures.
+
+Modules:
+    core: Core analysis tools including the Unified Fit model
+    io: Data input/output utilities for HDF5/NXcanSAS files
+    plotting: Visualization and plotting functions
+
+Example:
+    >>> from pyirena.core.unified import UnifiedFitModel
+    >>> model = UnifiedFitModel(num_levels=1)
+    >>> model.levels[0].Rg = 50.0
+    >>> results = model.fit(q_data, intensity_data)
+
+Loading stored results example:
+    >>> from pyirena import load_result
+    >>> r = load_result("mydata.h5", "unified_fit")
+    >>> if r["found"]:
+    ...     print(f"chi² = {r['chi_squared']:.4f}")
+    >>> r = load_result("mydata.h5", "size_distribution")
+    >>> if r["found"]:
+    ...     print(f"Vf = {r['volume_fraction']:.4g},  method = {r['method']}")
+
+References:
+    Beaucage, G. (1995). J. Appl. Cryst. 28, 717-728
+    Beaucage, G. (1996). J. Appl. Cryst. 29, 134-146
+"""
+
+__version__ = "0.3.3"
+__author__ = "Jan Ilavsky"
+__email__ = "ilavsky@aps.anl.gov"
+
+from pyirena.core.unified import UnifiedFitModel, UnifiedLevel, load_data_from_nxcansas
+from pyirena.core.sizes import SizesDistribution
+from pyirena.core.simple_fits import SimpleFitModel, MODEL_REGISTRY, MODEL_NAMES
+from pyirena.batch import fit_unified, fit_sizes, fit_simple, fit_pyirena
+from pyirena.io.results import load_result, SUPPORTED_ANALYSES
+
+try:
+    from pyirena.plotting.plot_saxs import plot_saxs
+except ImportError:
+    pass  # matplotlib not installed
+
+__all__ = [
+    "UnifiedFitModel",
+    "UnifiedLevel",
+    "load_data_from_nxcansas",
+    "SizesDistribution",
+    "SimpleFitModel",
+    "MODEL_REGISTRY",
+    "MODEL_NAMES",
+    "fit_unified",
+    "fit_sizes",
+    "fit_simple",
+    "fit_pyirena",
+    "load_result",
+    "SUPPORTED_ANALYSES",
+    "plot_saxs",
+]