xypattern
Description
A simple small library to handle x-y patterns, such as are collected with x-ray diffraction or Raman spectroscopy.
Installation
Supports Python 3.8–3.14. On Python 3.14, NumPy 2.3.3 or newer and SciPy 1.16.1 or newer are required; pip selects compatible dependencies automatically.
Python 3.15 has prerelease support, tested with 3.15.0rc2. It requires NumPy 2.5.2 or newer, SciPy 1.18.1 or newer, and Cython 3.3 or newer for source builds.
pip install xypattern
Features
- Load and save patterns from/to various file formats (.xy, .chi, .fxye)
- Apply scaling, offset, and smoothing to patterns
- Background subtraction (manual or automatic)
- Pattern manipulation (limiting, extending, deleting ranges)
- Mathematical operations (addition, subtraction, multiplication)
- Pattern transformation (x-axis transformation)
- Pattern rebinning
- Pattern serialization to/from dictionaries
Usage Examples
Reading a file
from xypattern import Pattern
import matplotlib.pyplot as plt
p1 = Pattern.from_file('path/to/file')
p1.scaling = 0.5
p1.offset = 0.1
plt.plot(p1.x, p1.y)
plt.show()
Use a background pattern
p2 = Pattern.from_file('path/to/file')
p2.scaling = 0.9
p1.background_pattern = p2
Automatic background subtraction
from xypattern.auto_background import SmoothBrucknerBackground
p1 = Pattern.from_file('path/to/file')
p1.auto_bkg = SmoothBrucknerBackground(smooth_width=0.2, iterations=30, cheb_order=20)
p1.auto_bkg_roi = [10.0, 60.0] # Optional region of interest for background calculation
Pattern manipulation
# Limit pattern to a specific x-range
limited_pattern = p1.limit(10.0, 60.0)
# Extend pattern to a specific x-value
extended_pattern = p1.extend_to(5.0, 0.0)
# Delete specific x-ranges
cleaned_pattern = p1.delete_ranges([[10.0, 15.0], [40.0, 45.0]])
# Transform x-axis (e.g., convert from 2theta to q-space)
from math import pi, sin
wavelength = 0.3344 # Å
transformed_pattern = p1.transform_x(lambda x: 4 * pi * sin(x * pi / 360) / wavelength)
Scale and stitch multiple patterns
p1 = Pattern.from_file('path/to/file1')
p2 = Pattern.from_file('path/to/file2')
p3 = Pattern.from_file('path/to/file3')
from xypattern.combine import scale_patterns, stitch_patterns
patterns = [p1, p2, p3]
scale_patterns(patterns)
stitched_pattern = stitch_patterns(patterns)
Pattern serialization
# Save pattern to dictionary (useful for JSON serialization)
pattern_dict = p1.to_dict()
# Create pattern from dictionary
p2 = Pattern.from_dict(pattern_dict)
# Create a deep copy of a pattern
p2 = p1.copy()
API Documentation
For detailed API documentation, please visit https://xypattern.readthedocs.io/ or https://cprescher.github.io/xypattern/.
Building Documentation
The project documentation is built using Sphinx. To build the documentation locally:
# Install development dependencies
poetry install --with dev
# Navigate to the docs directory
cd docs
# Build the documentation
make html
The built documentation will be available in the docs/_build/html directory. Open index.html in your web browser to view it.
Contributing
To set up a development environment and run the tests (including the compiled Cython extension):
poetry env use python3.14
poetry install
poetry run pytest
Building from source requires a C compiler. CI tests Python 3.8–3.15, including the latest Python 3.15 prerelease on Linux, macOS, and Windows. Release wheels are built for all three platforms.
Contributions are welcome! Please feel free to submit a Pull Request.
License
This project is licensed under the MIT License - see the LICENSE file for details.
1 maintainer
Release files for xypattern 1.2.4
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| xypattern-1.2.4.tar.gz | 22.2 kB | Details |
Built distributions (wheels)
Total release size: 6.3 MB
Release files / xypattern-1.2.4.tar.gz
| Download URL | xypattern-1.2.4.tar.gz |
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| Size | 22.2 kB |
| Tags | Source |
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