nxs-analysis-tools 0.0.38__tar.gz → 0.0.39__tar.gz

{nxs_analysis_tools-0.0.38/src/nxs_analysis_tools.egg-info → nxs_analysis_tools-0.0.39}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: nxs-analysis-tools
-Version: 0.0.38
+Version: 0.0.39
 Summary: Reduce and transform nexus format (.nxs) scattering data.
 Author-email: "Steven J. Gomez Alvarado" <stevenjgomez@ucsb.edu>
 License: MIT License

{nxs_analysis_tools-0.0.38 → nxs_analysis_tools-0.0.39}/pyproject.toml

@@ -6,7 +6,7 @@ build-backend = 'setuptools.build_meta'
 
 [project]
 name = 'nxs-analysis-tools'
-version = '0.0.38'
+version = '0.0.39'
 description = 'Reduce and transform nexus format (.nxs) scattering data.'
 readme = 'README.md'
 requires-python = '>=3.7'

{nxs_analysis_tools-0.0.38 → nxs_analysis_tools-0.0.39}/src/_meta/__init__.py

@@ -6,5 +6,5 @@ __author__ = 'Steven J. Gomez Alvarado'
 __email__ = 'stevenjgomez@ucsb.edu'
 __copyright__ = f"2023, {__author__}"
 __license__ = 'MIT'
-__version__ = '0.0.38'
+__version__ = '0.0.39'
 __repo_url__ = 'https://github.com/stevenjgomez/nxs_analysis_tools'

{nxs_analysis_tools-0.0.38 → nxs_analysis_tools-0.0.39}/src/nxs_analysis_tools/pairdistribution.py

@@ -433,30 +433,33 @@ class Symmetrizer3D:
         q1, q2, q3 = self.q1, self.q2, self.q3
         out_array = np.zeros(data[data.signal].shape)
 
-        print('Symmetrizing ' + self.plane1 + ' planes...')
-        for k, value in enumerate(q3):
-            print(f'Symmetrizing {q3.nxname}={value:.02f}...', end='\r')
-            data_symmetrized = self.plane1symmetrizer.symmetrize_2d(data[:, :, k])
-            out_array[:, :, k] = data_symmetrized[data.signal].nxdata
-        print('\nSymmetrized ' + self.plane1 + ' planes.')
-
-        print('Symmetrizing ' + self.plane2 + ' planes...')
-        for j, value in enumerate(q2):
-            print(f'Symmetrizing {q2.nxname}={value:.02f}...', end='\r')
-            data_symmetrized = self.plane2symmetrizer.symmetrize_2d(
-                NXdata(NXfield(out_array[:, j, :], name=data.signal), (q1, q3))
-            )
-            out_array[:, j, :] = data_symmetrized[data.signal].nxdata
-        print('\nSymmetrized ' + self.plane2 + ' planes.')
-
-        print('Symmetrizing ' + self.plane3 + ' planes...')
-        for i, value in enumerate(q1):
-            print(f'Symmetrizing {q1.nxname}={value:.02f}...', end='\r')
-            data_symmetrized = self.plane3symmetrizer.symmetrize_2d(
-                NXdata(NXfield(out_array[i, :, :], name=data.signal), (q2, q3))
-            )
-            out_array[i, :, :] = data_symmetrized[data.signal].nxdata
-        print('\nSymmetrized ' + self.plane3 + ' planes.')
+        if self.plane1symmetrizer.theta_max:
+            print('Symmetrizing ' + self.plane1 + ' planes...')
+            for k, value in enumerate(q3):
+                print(f'Symmetrizing {q3.nxname}={value:.02f}...', end='\r')
+                data_symmetrized = self.plane1symmetrizer.symmetrize_2d(data[:, :, k])
+                out_array[:, :, k] = data_symmetrized[data.signal].nxdata
+            print('\nSymmetrized ' + self.plane1 + ' planes.')
+
+        if self.plane2symmetrizer.theta_max:
+            print('Symmetrizing ' + self.plane2 + ' planes...')
+            for j, value in enumerate(q2):
+                print(f'Symmetrizing {q2.nxname}={value:.02f}...', end='\r')
+                data_symmetrized = self.plane2symmetrizer.symmetrize_2d(
+                    NXdata(NXfield(out_array[:, j, :], name=data.signal), (q1, q3))
+                )
+                out_array[:, j, :] = data_symmetrized[data.signal].nxdata
+            print('\nSymmetrized ' + self.plane2 + ' planes.')
+
+        if self.plane3symmetrizer.theta_max:
+            print('Symmetrizing ' + self.plane3 + ' planes...')
+            for i, value in enumerate(q1):
+                print(f'Symmetrizing {q1.nxname}={value:.02f}...', end='\r')
+                data_symmetrized = self.plane3symmetrizer.symmetrize_2d(
+                    NXdata(NXfield(out_array[i, :, :], name=data.signal), (q2, q3))
+                )
+                out_array[i, :, :] = data_symmetrized[data.signal].nxdata
+            print('\nSymmetrized ' + self.plane3 + ' planes.')
 
         out_array[out_array < 0] = 0
 
@@ -1210,7 +1213,7 @@ def fourier_transform_nxdata(data):
     fft = NXdata(NXfield(fft_array, name='dPDF'),
                  (NXfield(np.linspace(-0.5 / H_step, 0.5 / H_step, padded.shape[0]), name='x'),
                   NXfield(np.linspace(-0.5 / K_step, 0.5 / K_step, padded.shape[1]), name='y'),
-                  NXfield(np.linspace(-0.5 / L_step, 0.5 / L_step, padded.shape[1]), name='z'),
+                  NXfield(np.linspace(-0.5 / L_step, 0.5 / L_step, padded.shape[2]), name='z'),
                   )
                  )
     return fft
@@ -1289,6 +1292,10 @@ class DeltaPDF:
         self.data = data
         self.puncher.set_data(data)
         self.interpolator.set_data(data)
+        self.tapered = data
+        self.padded = data
+        self.interpolated = data
+        self.punched = data
 
     def set_lattice_params(self, lattice_params):
         """

{nxs_analysis_tools-0.0.38 → nxs_analysis_tools-0.0.39/src/nxs_analysis_tools.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: nxs-analysis-tools
-Version: 0.0.38
+Version: 0.0.39
 Summary: Reduce and transform nexus format (.nxs) scattering data.
 Author-email: "Steven J. Gomez Alvarado" <stevenjgomez@ucsb.edu>
 License: MIT License