nxs-analysis-tools 0.1.2__tar.gz → 0.1.3__tar.gz

nxs_analysis_tools-0.1.3/MANIFEST.in

@@ -0,0 +1,3 @@
+# Exclude generated files
+prune */__pycache__
+global-exclude *.pyc *.pyo *.pyd *.swp *.bak *~ */nxs_analysis_tools.egg-info/*

{nxs_analysis_tools-0.1.2/src/nxs_analysis_tools.egg-info → nxs_analysis_tools-0.1.3}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: nxs-analysis-tools
-Version: 0.1.2
+Version: 0.1.3
 Summary: Reduce and transform nexus format (.nxs) scattering data.
 Author-email: "Steven J. Gomez Alvarado" <stevenjgomez@ucsb.edu>
 License: MIT License
@@ -29,8 +29,9 @@ Project-URL: Download, https://pypi.org/project/nxs-analysis-tools/
 Project-URL: Bug Tracker, https://github.com/stevenjgomez/nxs_analysis_tools/issues
 Project-URL: Documentation, https://nxs-analysis-tools.readthedocs.io/en/stable/
 Project-URL: Source Code, https://github.com/stevenjgomez/nxs_analysis_tools
+Project-URL: DOI, https://doi.org/10.5281/zenodo.15186359
 Keywords: diffraction,xrd,nexusformat,nexus,nxs,scattering
-Classifier: Development Status :: 1 - Planning
+Classifier: Development Status :: 5 - Production/Stable
 Classifier: Intended Audience :: Science/Research
 Classifier: License :: OSI Approved :: MIT License
 Classifier: Programming Language :: Python
@@ -43,14 +44,15 @@ Requires-Python: >=3.7
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: matplotlib>=3.10.0
-Requires-Dist: numpy>=2.0.0
+Requires-Dist: numpy>=2.2.4
 Requires-Dist: ipython>=1.0.0
-Requires-Dist: pandas>=2.0.2
+Requires-Dist: pandas>=2.2.3
 Requires-Dist: nexusformat>=1.0.8
 Requires-Dist: lmfit>=1.2.1
 Requires-Dist: astropy>=6.1.7
 Requires-Dist: pyfftw>=0.13.1
 Requires-Dist: scipy>=1.14.1
+Requires-Dist: h5py>=3.13.0
 Provides-Extra: dev
 Requires-Dist: build>=0.8.0; extra == "dev"
 Requires-Dist: furo>=2022.6.21; extra == "dev"

{nxs_analysis_tools-0.1.2 → nxs_analysis_tools-0.1.3}/pyproject.toml

@@ -6,7 +6,7 @@ build-backend = 'setuptools.build_meta'
 
 [project]
 name = 'nxs-analysis-tools'
-version = '0.1.2'
+version = '0.1.3'
 description = 'Reduce and transform nexus format (.nxs) scattering data.'
 readme = 'README.md'
 requires-python = '>=3.7'
@@ -22,7 +22,7 @@ keywords = [
     'scattering',
 ]
 classifiers = [
-    'Development Status :: 1 - Planning',
+    'Development Status :: 5 - Production/Stable',
     'Intended Audience :: Science/Research',
     'License :: OSI Approved :: MIT License',
     'Programming Language :: Python',
@@ -34,14 +34,15 @@ classifiers = [
 ]
 dependencies = [
     'matplotlib>=3.10.0',
-    'numpy>=2.0.0',
+    'numpy>=2.2.4',
     'ipython>=1.0.0',
-    'pandas>=2.0.2',
+    'pandas>=2.2.3',
     'nexusformat>=1.0.8',
     'lmfit>=1.2.1',
     'astropy>=6.1.7',
     'pyfftw>=0.13.1',
-    'scipy>=1.14.1'
+    'scipy>=1.14.1',
+    'h5py>=3.13.0',
     ]
 
 [project.optional-dependencies]
@@ -67,3 +68,26 @@ dev = [
 'Bug Tracker' = 'https://github.com/stevenjgomez/nxs_analysis_tools/issues'
 'Documentation' = 'https://nxs-analysis-tools.readthedocs.io/en/stable/'
 'Source Code' = 'https://github.com/stevenjgomez/nxs_analysis_tools'
+'DOI' = 'https://doi.org/10.5281/zenodo.15186359'
+
+[tool.bumpver]
+current_version = "0.1.3"
+version_pattern = "MAJOR.MINOR.PATCH[-TAG]"
+tag_pattern = "vMAJOR.MINOR.PATCH[-TAG]"
+commit_message = "Bump version {old_version} -> {new_version}"
+tag_message = "{new_version}"
+tag_scope = "default"
+pre_commit_hook = ""
+post_commit_hook = ""
+commit = true
+tag = false
+push = true
+
+[tool.bumpver.file_patterns]
+"pyproject.toml" = [
+    'current_version = "{version}"',
+    "version = '{version}'"
+]
+"src/_meta/__init__.py" = [
+    "__version__ = '{version}'",
+]

{nxs_analysis_tools-0.1.2 → nxs_analysis_tools-0.1.3}/src/_meta/__init__.py

@@ -6,5 +6,5 @@ __author__ = 'Steven J. Gomez Alvarado'
 __email__ = 'stevenjgomez@ucsb.edu'
 __copyright__ = f"2023-2025, {__author__}"
 __license__ = 'MIT'
-__version__ = '0.1.2'
+__version__ = '0.1.3'
 __repo_url__ = 'https://github.com/stevenjgomez/nxs_analysis_tools'

{nxs_analysis_tools-0.1.2 → nxs_analysis_tools-0.1.3}/src/nxs_analysis_tools/datareduction.py

@@ -104,8 +104,7 @@ def array_to_nxdata(array, data_template, signal_name=None):
     d = data_template
     if signal_name is None:
         signal_name = d.signal
-    return NXdata(NXfield(array, name=signal_name),
-                  tuple(d[d.axes[i]] for i in range(len(d.axes))))
+    return NXdata(NXfield(array, name=signal_name), d.nxaxes)
 
 
 def rebin_3d(array):
@@ -341,12 +340,12 @@ def plot_slice(data, X=None, Y=None, sum_axis=None, transpose=False, vmin=None,
 
     # If three-dimensional, demand sum_axis to reduce to two dimensions.
     if is_array and len(data.shape) == 3:
-        assert sum_axis is not None, "sum_axis must be specified when data is a 3D array"
+        assert sum_axis is not None, "sum_axis must be specified when data is 3D."
 
         data = data.sum(axis=sum_axis)
 
     if is_nxdata and len(data.shape) == 3:
-        assert sum_axis is not None, "sum_axis must be specified when data is a 3D array"
+        assert sum_axis is not None, "sum_axis must be specified when data is 3D."
 
         arr = data.nxsignal.nxdata
         arr = arr.sum(axis=sum_axis)
@@ -452,22 +451,22 @@ def plot_slice(data, X=None, Y=None, sum_axis=None, transpose=False, vmin=None,
     # Add tick marks all around
     ax.tick_params(direction='in', top=True, right=True, which='both')
 
-    # Set tick locations
-    if xticks is None:
-        # Add default minor ticks
+    # Automatically set tick locations, only if NXdata or if X,Y axes are provided for an array
+    if is_nxdata or (is_array and (X is not None and Y is not None)):
+        # Add default minor ticks on x
         ax.xaxis.set_minor_locator(MultipleLocator(1))
-    else:
-        # Otherwise use user provided values
-        ax.xaxis.set_major_locator(MultipleLocator(xticks))
-        ax.xaxis.set_minor_locator(MultipleLocator(1))
-    if yticks is None:
-        # Add default minor ticks
-        ax.yaxis.set_minor_locator(MultipleLocator(1))
-    else:
-        # Otherwise use user provided values
-        ax.yaxis.set_major_locator(MultipleLocator(yticks))
+
+        if xticks is not None:
+            # Use user provided values
+            ax.xaxis.set_major_locator(MultipleLocator(xticks))
+
+        # Add default minor ticks on y
         ax.yaxis.set_minor_locator(MultipleLocator(1))
 
+        if yticks is not None:
+            # Use user provided values
+            ax.yaxis.set_major_locator(MultipleLocator(yticks))
+
     # Apply transform to tick marks
     for i in range(0, len(ax.xaxis.get_ticklines())):
         # Tick marker

{nxs_analysis_tools-0.1.2 → nxs_analysis_tools-0.1.3}/src/nxs_analysis_tools/pairdistribution.py

@@ -400,6 +400,8 @@ class Symmetrizer3D:
             The input 3D dataset to be symmetrized.
         """
 
+        assert data is not None, "Symmetrizer3D requires a 3D NXdata object for initialization."
+
         self.a, self.b, self.c, self.al, self.be, self.ga = [None] * 6
         self.a_star, self.b_star, self.c_star, self.al_star, self.be_star, self.ga_star = [None] * 6
         self.lattice_params = None

{nxs_analysis_tools-0.1.2 → nxs_analysis_tools-0.1.3}/src/nxs_analysis_tools.egg-info/SOURCES.txt

@@ -9,11 +9,6 @@ src/nxs_analysis_tools/chess.py
 src/nxs_analysis_tools/datareduction.py
 src/nxs_analysis_tools/fitting.py
 src/nxs_analysis_tools/pairdistribution.py
-src/nxs_analysis_tools.egg-info/PKG-INFO
-src/nxs_analysis_tools.egg-info/SOURCES.txt
-src/nxs_analysis_tools.egg-info/dependency_links.txt
-src/nxs_analysis_tools.egg-info/requires.txt
-src/nxs_analysis_tools.egg-info/top_level.txt
 tests/test_accurate_highlight.py
 tests/test_chess.py
 tests/test_chess_fitting.py

nxs_analysis_tools-0.1.2/MANIFEST.in

@@ -1,3 +0,0 @@
-# Exclude generated files
-prune */__pycache__
-global-exclude *.pyc *.pyo *.pyd *.swp *.bak *~ */magentropy.egg-info/*

nxs_analysis_tools-0.1.2/PKG-INFO

@@ -1,99 +0,0 @@
-Metadata-Version: 2.4
-Name: nxs-analysis-tools
-Version: 0.1.2
-Summary: Reduce and transform nexus format (.nxs) scattering data.
-Author-email: "Steven J. Gomez Alvarado" <stevenjgomez@ucsb.edu>
-License: MIT License
-        
-        Copyright (c) 2023-2025 Steven J. Gomez Alvarado
-        
-        Permission is hereby granted, free of charge, to any person obtaining a copy
-        of this software and associated documentation files (the "Software"), to deal
-        in the Software without restriction, including without limitation the rights
-        to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
-        copies of the Software, and to permit persons to whom the Software is
-        furnished to do so, subject to the following conditions:
-        
-        The above copyright notice and this permission notice shall be included in all
-        copies or substantial portions of the Software.
-        
-        THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-        IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-        FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
-        AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-        LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
-        OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
-        SOFTWARE.
-        
-Project-URL: Download, https://pypi.org/project/nxs-analysis-tools/
-Project-URL: Bug Tracker, https://github.com/stevenjgomez/nxs_analysis_tools/issues
-Project-URL: Documentation, https://nxs-analysis-tools.readthedocs.io/en/stable/
-Project-URL: Source Code, https://github.com/stevenjgomez/nxs_analysis_tools
-Keywords: diffraction,xrd,nexusformat,nexus,nxs,scattering
-Classifier: Development Status :: 1 - Planning
-Classifier: Intended Audience :: Science/Research
-Classifier: License :: OSI Approved :: MIT License
-Classifier: Programming Language :: Python
-Classifier: Programming Language :: Python :: 3
-Classifier: Programming Language :: Python :: 3.9
-Classifier: Programming Language :: Python :: 3.10
-Classifier: Topic :: Scientific/Engineering :: Image Processing
-Classifier: Topic :: Scientific/Engineering
-Requires-Python: >=3.7
-Description-Content-Type: text/markdown
-License-File: LICENSE
-Requires-Dist: matplotlib>=3.10.0
-Requires-Dist: numpy>=2.0.0
-Requires-Dist: ipython>=1.0.0
-Requires-Dist: pandas>=2.0.2
-Requires-Dist: nexusformat>=1.0.8
-Requires-Dist: lmfit>=1.2.1
-Requires-Dist: astropy>=6.1.7
-Requires-Dist: pyfftw>=0.13.1
-Requires-Dist: scipy>=1.14.1
-Provides-Extra: dev
-Requires-Dist: build>=0.8.0; extra == "dev"
-Requires-Dist: furo>=2022.6.21; extra == "dev"
-Requires-Dist: ipykernel>=6.9.1; extra == "dev"
-Requires-Dist: myst-nb>=0.16.0; extra == "dev"
-Requires-Dist: myst-parser>=0.18.0; extra == "dev"
-Requires-Dist: numpydoc>=1.4.0; extra == "dev"
-Requires-Dist: pandoc>=2.2; extra == "dev"
-Requires-Dist: pylint>=2.12.2; extra == "dev"
-Requires-Dist: pytest>=7.1.2; extra == "dev"
-Requires-Dist: sphinx>=5.0.2; extra == "dev"
-Requires-Dist: sphinx-autobuild>=2021.3.14; extra == "dev"
-Requires-Dist: sphinx-copybutton>=0.5.0; extra == "dev"
-Requires-Dist: sphinxext-opengraph>=0.6.3; extra == "dev"
-Requires-Dist: twine>=4.0.1; extra == "dev"
-Dynamic: license-file
-
-# nxs-analysis-tools
-
-[![DOI](https://zenodo.org/badge/644189683.svg)](https://doi.org/10.5281/zenodo.15186359)
-[![PyPI](https://img.shields.io/pypi/v/nxs-analysis-tools)](https://pypi.org/project/nxs-analysis-tools/)
-[![Documentation Status](https://readthedocs.org/projects/nxs-analysis-tools/badge/?version=latest)](https://nxs-analysis-tools.readthedocs.io/en/latest/?badge=latest)
-
-## Overview
-
-nxs-analysis-tools provides a suite of tools for slicing (2D), cutting (1D), and transforming (_e.g._, symmetrization, interpolation, delta-PDF) nexus format (.nxs) scattering data.
-
-View the documentation [here](https://nxs-analysis-tools.readthedocs.io/en/stable/).
-
-## Installation
-
-Install nxs-analysis-tools with ``pip``:
-
-```{code-block} console
-pip install nxs-analysis-tools
-```
-
-The source code can be downloaded from the nxs-analysis-tools Git repository:
-
-```{code-block} console
-git clone https://github.com/stevenjgomez/nxs-analysis-tools.git
-```
-
-## License
-
-This project is licensed under the MIT License.

nxs_analysis_tools-0.1.2/src/nxs_analysis_tools.egg-info/dependency_links.txt

@@ -1 +0,0 @@
-

nxs_analysis_tools-0.1.2/src/nxs_analysis_tools.egg-info/requires.txt

@@ -1,25 +0,0 @@
-matplotlib>=3.10.0
-numpy>=2.0.0
-ipython>=1.0.0
-pandas>=2.0.2
-nexusformat>=1.0.8
-lmfit>=1.2.1
-astropy>=6.1.7
-pyfftw>=0.13.1
-scipy>=1.14.1
-
-[dev]
-build>=0.8.0
-furo>=2022.6.21
-ipykernel>=6.9.1
-myst-nb>=0.16.0
-myst-parser>=0.18.0
-numpydoc>=1.4.0
-pandoc>=2.2
-pylint>=2.12.2
-pytest>=7.1.2
-sphinx>=5.0.2
-sphinx-autobuild>=2021.3.14
-sphinx-copybutton>=0.5.0
-sphinxext-opengraph>=0.6.3
-twine>=4.0.1

nxs_analysis_tools-0.1.2/src/nxs_analysis_tools.egg-info/top_level.txt

@@ -1,2 +0,0 @@
-_meta
-nxs_analysis_tools