mlgidbase 0.0.1__tar.gz

mlgidbase-0.0.1/LICENSE

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+MIT License
+
+Copyright (c) 2026 mlgid
+
+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.

mlgidbase-0.0.1/PKG-INFO

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+Metadata-Version: 2.4
+Name: mlgidbase
+Version: 0.0.1
+Summary: A comprehensive toolbox for grazing-incidence diffraction
+Author-email: Ainur Abukaev <ainurabukaev@gmail.com>
+Project-URL: Homepage, https://github.com/mlgid-project/mlgidBASE
+Requires-Python: >=3.8
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: pygid==0.2.7
+Requires-Dist: mlgiddetect==0.2.1
+Requires-Dist: pygidfit==0.1.2
+Requires-Dist: mlgidmatch==0.1.2
+Dynamic: license-file
+
+# mlgidBASE
+[![Python version](https://img.shields.io/badge/python-3.9%7C3.10%7C3.11%7C3.12%7C3.13%7C3.14-blue.svg)](https://www.python.org/)
+
+`mlgidBASE` is a Python package for machine learning–driven analysis of grazing-incidence wide-angle X-ray scattering (GIWAXS) data. It provides a full workflow from peak detection to matching with known crystal structures.
+
+The package builds on the following components:
+
+- [mlgidDETECT](https://github.com/mlgid-project/mlgidDETECT) — for peak detection  
+- [pygidFIT](https://github.com/mlgid-project/pygidFIT) — for two-dimensional peak fitting  
+- [mlgidMATCH](https://github.com/mlgid-project/mlgidMATCH_private) — for matching experimental peaks to known structures  
+
+---
+
+## Key Features
+
+- **Initialization**  
+  Can be created from a [`pygid.Conversion`](./docs/tutorials/tutorial_05_from_memory.ipynb) object or loaded directly from a [NeXus file](./docs/tutorials/tutorial_01_initialization.ipynb).
+
+- **Methods**  
+  Provides functions for:
+  - [Peak detection](./docs/tutorials/tutorial_02_detection.ipynb)  
+  - [Peak fitting](./docs/tutorials/tutorial_03_fitting.ipynb)  
+  - [Peak matching](./docs/tutorials/tutorial_04_matching.ipynb)
+
+- **Visualization**  
+  Supports [visualization](./docs/tutorials/tutorial_06_visualization.ipynb) at all stages of the analysis pipeline.
+
+- **Peak Adjustment**  
+  Includes functions to [add or delete peaks](./docs/tutorials/tutorial_07_peak_operations.ipynb), either interactively or programmatically.
+
+- **Data Access**  
+  Enables [retrieving analysis results](./docs/tutorials/tutorial_08_get_data.ipynb) from the NeXus file for further processing.
+
+---
+
+## Installation
+
+### Install using pip
+
+```bash
+pip install pygid
+```
+
+### Install from source
+
+First, clone the repository:
+
+```bash
+git clone https://github.com/mlgid-project/mlgidBASE.git
+```
+
+Then navigate to the project directory and install it in editable mode:
+```bash
+cd mlgidBASE
+pip install -e .
+```
+
+#### Required Python version: 3.12
+
+---
+
+## How to Use
+
+For full details, see the dedicated [tutorials](./docs/tutorials).
+
+### Quick Start
+```python
+from mlgidbase import mlgidBASE
+
+# Initialize analysis from a NeXus file
+filename = r'./example/BA2PbI4.h5'
+analysis = mlgidBASE(filename=filename)
+
+# Run peak detection
+analysis.run_detection()
+
+# Run peak fitting
+analysis.run_fitting()
+
+# Run peak matching with preprocessed CIFs
+analysis.run_matching(
+    cif_prepr='./example/prepr_cifs.pickle'
+)
+```
+
+### Data Format
+
+The structure of the analysis results saved in the NeXus file is documented in the output file format 
+[guide](docs/tutorials/output_file_format.md).
+
+It describes how entries, frames, and peak information are stored for further inspection or processing.

mlgidbase-0.0.1/README.md

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+# mlgidBASE
+[![Python version](https://img.shields.io/badge/python-3.9%7C3.10%7C3.11%7C3.12%7C3.13%7C3.14-blue.svg)](https://www.python.org/)
+
+`mlgidBASE` is a Python package for machine learning–driven analysis of grazing-incidence wide-angle X-ray scattering (GIWAXS) data. It provides a full workflow from peak detection to matching with known crystal structures.
+
+The package builds on the following components:
+
+- [mlgidDETECT](https://github.com/mlgid-project/mlgidDETECT) — for peak detection  
+- [pygidFIT](https://github.com/mlgid-project/pygidFIT) — for two-dimensional peak fitting  
+- [mlgidMATCH](https://github.com/mlgid-project/mlgidMATCH_private) — for matching experimental peaks to known structures  
+
+---
+
+## Key Features
+
+- **Initialization**  
+  Can be created from a [`pygid.Conversion`](./docs/tutorials/tutorial_05_from_memory.ipynb) object or loaded directly from a [NeXus file](./docs/tutorials/tutorial_01_initialization.ipynb).
+
+- **Methods**  
+  Provides functions for:
+  - [Peak detection](./docs/tutorials/tutorial_02_detection.ipynb)  
+  - [Peak fitting](./docs/tutorials/tutorial_03_fitting.ipynb)  
+  - [Peak matching](./docs/tutorials/tutorial_04_matching.ipynb)
+
+- **Visualization**  
+  Supports [visualization](./docs/tutorials/tutorial_06_visualization.ipynb) at all stages of the analysis pipeline.
+
+- **Peak Adjustment**  
+  Includes functions to [add or delete peaks](./docs/tutorials/tutorial_07_peak_operations.ipynb), either interactively or programmatically.
+
+- **Data Access**  
+  Enables [retrieving analysis results](./docs/tutorials/tutorial_08_get_data.ipynb) from the NeXus file for further processing.
+
+---
+
+## Installation
+
+### Install using pip
+
+```bash
+pip install pygid
+```
+
+### Install from source
+
+First, clone the repository:
+
+```bash
+git clone https://github.com/mlgid-project/mlgidBASE.git
+```
+
+Then navigate to the project directory and install it in editable mode:
+```bash
+cd mlgidBASE
+pip install -e .
+```
+
+#### Required Python version: 3.12
+
+---
+
+## How to Use
+
+For full details, see the dedicated [tutorials](./docs/tutorials).
+
+### Quick Start
+```python
+from mlgidbase import mlgidBASE
+
+# Initialize analysis from a NeXus file
+filename = r'./example/BA2PbI4.h5'
+analysis = mlgidBASE(filename=filename)
+
+# Run peak detection
+analysis.run_detection()
+
+# Run peak fitting
+analysis.run_fitting()
+
+# Run peak matching with preprocessed CIFs
+analysis.run_matching(
+    cif_prepr='./example/prepr_cifs.pickle'
+)
+```
+
+### Data Format
+
+The structure of the analysis results saved in the NeXus file is documented in the output file format 
+[guide](docs/tutorials/output_file_format.md).
+
+It describes how entries, frames, and peak information are stored for further inspection or processing.

mlgidbase-0.0.1/docs/conf.py

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+import os
+import sys
+sys.path.insert(0, os.path.abspath('..'))
+
+project = 'mlgidBASE'
+author = 'Ainur Abukaev'
+release = '0.1.0'
+
+extensions = [
+    'sphinx.ext.autodoc',
+    'sphinx.ext.napoleon',
+    'nbsphinx',
+    'myst_nb',
+]
+
+templates_path = ['_templates']
+exclude_patterns = ['_build', '**.ipynb_checkpoints']
+
+html_theme = 'sphinx_rtd_theme'
+html_static_path = ['_static']
+
+tutorial_dir = os.path.join(os.path.dirname(__file__), 'tutorials')
+tutorials = sorted(f for f in os.listdir(tutorial_dir) if f.endswith('.ipynb'))
+tutorial_names = [os.path.splitext(f)[0] for f in tutorials]
+
+toctree_path = os.path.join(os.path.dirname(__file__), 'tutorials_toctree.rst')
+with open(toctree_path, 'w', encoding='utf-8') as f:
+    f.write("Tutorials\n=========\n\n.. toctree::\n   :maxdepth: 2\n\n")
+    for name in tutorial_names:
+        f.write(f"   tutorials/{name}\n")

mlgidbase-0.0.1/mlgidbase/__init__.py

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+# from .expparams import ExpParams
+# from .dataloader import DataLoader
+# from .datasaver import DataSaver, ExpMetadata, SampleMetadata
+# from .coordmaps import CoordMaps
+# from .conversion import Conversion
+from .main import mlgidBASE
+__version__ = "0.0.1"