Require pyfai 2025

pyproject.toml

@@ -46,7 +46,7 @@ dependencies = [
     "pandas>=2.3.3",
     "pint>=0.24.4",
     "pydantic>=2.13.4",
-    "pyfai>=2023.9.0,<2024.10",
+    "pyfai>=2025.01",
     "pyxray>=1.8.0",
     "reciprocalspaceship>=1.0.7",
     "requests>=2.34.2",

src/xtl/cli/diffraction/cli_utils.py

@@ -98,7 +98,7 @@ def get_radial_units_from_header(header: str) -> Optional['RadialUnits']:
     from xtl.units.scattering.radial import RadialUnits
 
     for line in header.splitlines():
-        if line.startswith('pyFAI.AzimuthalIntegrator.unit'):
+        if line.startswith('pyFAI.integrator.azimuthal.AzimuthalIntegrator.unit'):
             units = line.split(':')[-1].strip()
             if units in ['2th_deg', '2theta', '2th']:
                 return RadialUnits.TWOTHETA_DEG

src/xtl/diffraction/images/correlators.py

@@ -227,9 +227,9 @@ def _get_file_header(self) -> str:
         for key in ['unit', 'error_model', 'method_called', 'method', 'compute_engine', 'has_mask_applied',
                     'has_flat_correction', 'has_dark_correction', 'has_solidangle_correction', 'polarization_factor',
                     'normalization_factor', 'metadata']:
-            header += f'pyFAI.AzimuthalIntegrator.{key}: {getattr(self._ai2.results, key)}\n'
-        header += f'pyFAI.AzimuthalIntegrator.npt_rad: {self._ai2.points_radial}\n'
-        header += f'pyFAI.AzimuthalIntegrator.npt_azim: {self._ai2.points_azimuthal}\n'
+            header += f'pyFAI.integrator.azimuthal.AzimuthalIntegrator.{key}: {getattr(self._ai2.results, key)}\n'
+        header += f'pyFAI.integrator.azimuthal.AzimuthalIntegrator.npt_rad: {self._ai2.points_radial}\n'
+        header += f'pyFAI.integrator.azimuthal.AzimuthalIntegrator.npt_azim: {self._ai2.points_azimuthal}\n'
 
         header += f'\nDatasets: {self.units_radial}, {self.units_azimuthal}, cross-correlation function'
         return header

src/xtl/diffraction/images/integrators.py

@@ -6,7 +6,7 @@
 from matplotlib.image import AxesImage
 import matplotlib.pyplot as plt
 import numpy as np
-from pyFAI.azimuthalIntegrator import AzimuthalIntegrator as _AzimuthalIntegrator
+from pyFAI.integrator.azimuthal import AzimuthalIntegrator as _AzimuthalIntegrator
 from pyFAI.containers import Integrate1dResult, Integrate2dResult
 
 from .images import Image
@@ -119,7 +119,7 @@ def initialize(self, points_radial: int = None, units_radial: str = '2theta', ma
 
     def integrate(self, check: bool = True, keep: bool = True, **kwargs) -> Integrate1dResult:
         """
-        Perform 1D azimuthal integration using ``pyFAI.AzimuthalIntegrator.integrate1d_ng`` on the ``Image``,
+        Perform 1D azimuthal integration using ``pyFAI.integrator.azimuthal.AzimuthalIntegrator.integrate1d_ng`` on the ``Image``,
         excluding the regions defined in ``Image.mask``. Integration settings are defined from the initialize() method.
         This method is just a wrapper around the pyFAI method, without any additional initialization. The default
         pyFAI integration method is ``('bbox', 'csr', 'cython')`` (aka ``'csr'``).
@@ -185,8 +185,8 @@ def _get_file_header(self) -> str:
         for key in ['unit', 'error_model', 'method_called', 'method', 'compute_engine', 'has_mask_applied',
                     'has_flat_correction', 'has_dark_correction', 'has_solidangle_correction', 'polarization_factor',
                     'normalization_factor', 'metadata']:
-            header += f'pyFAI.AzimuthalIntegrator.{key}: {getattr(self.results, key)}\n'
-        header += f'pyFAI.AzimuthalIntegrator.npt_rad: {self.points_radial}\n'
+            header += f'pyFAI.integrator.azimuthal.AzimuthalIntegrator.{key}: {getattr(self.results, key)}\n'
+        header += f'pyFAI.integrator.azimuthal.AzimuthalIntegrator.npt_rad: {self.points_radial}\n'
 
         if self.results.sigma is not None:
             header += f'\nColumns: {self.units_radial_repr}, intensity (a.u.), sigma (a.u.)'
@@ -354,7 +354,7 @@ def initialize(self, points_radial: int = None, points_azimuthal: int = None, un
 
     def integrate(self, check=True, keep: bool = True, **kwargs) -> Integrate2dResult:
         """
-        Perform 2D azimuthal integration using ``pyFAI.AzimuthalIntegrator.integrate2d_ng`` on the ``Image``,
+        Perform 2D azimuthal integration using ``pyFAI.integrator.azimuthal.AzimuthalIntegrator.integrate2d_ng`` on the ``Image``,
         excluding the regions defined in ``Image.mask``. Integration settings are defined from the initialize() method.
         This method is just a wrapper around the pyFAI method, without any additional initialization. The default
         pyFAI integration method is ``('bbox', 'histogram', 'cython')`` (aka ``'bbox'``).
@@ -421,9 +421,9 @@ def _get_file_header(self) -> str:
         for key in ['unit', 'error_model', 'method_called', 'method', 'compute_engine', 'has_mask_applied',
                     'has_flat_correction', 'has_dark_correction', 'has_solidangle_correction', 'polarization_factor',
                     'normalization_factor', 'metadata']:
-            header += f'pyFAI.AzimuthalIntegrator.{key}: {getattr(self.results, key)}\n'
-        header += f'pyFAI.AzimuthalIntegrator.npt_rad: {self.points_radial}\n'
-        header += f'pyFAI.AzimuthalIntegrator.npt_azim: {self.points_azimuthal}\n'
+            header += f'pyFAI.integrator.azimuthal.AzimuthalIntegrator.{key}: {getattr(self.results, key)}\n'
+        header += f'pyFAI.integrator.azimuthal.AzimuthalIntegrator.npt_rad: {self.points_radial}\n'
+        header += f'pyFAI.integrator.azimuthal.AzimuthalIntegrator.npt_azim: {self.points_azimuthal}\n'
 
         if self.results.sigma is not None:
             header += f'\nDatasets: {self.units_radial}, {self.units_azimuthal}, intensity (a.u.), sigma (a.u.)'
@@ -545,4 +545,4 @@ def plot(self, ax: plt.Axes = None, fig: plt.Figure = None, xlabel: str = None,
         ax.set_yscale(yscale)
         ax.set_title(title)
 
-        return ax, fig, img
+        return ax, fig, img