IRIS analysis extension for SpectroChemPy
Project description
spectrochempy-iris
IRIS analysis plugin for SpectroChemPy.
Provides IRIS analysis objects, batch workflows, kernel comparison helpers, visualisation helpers, and dataset-bound accessors.
Installation
pip install spectrochempy[iris]
Usage
import spectrochempy as scp
# Package-level plugin APIs are available under scp.iris after installation.
results = scp.iris.batch_iris([dataset], kernel_type="langmuir", q=[-6, 1, 6])
report = scp.iris.iris_report(results[0]["iris"])
# Operations on an existing dataset are exposed through dataset accessors.
kernel = dataset.iris.kernel_matrix(kernel_type="langmuir", q=[-6, 1, 6])
The legacy flat accessor dataset.iris_kernel_matrix(...) is kept for
compatibility.
Development
pip install -e .
pip install -e plugins/spectrochempy-iris
cd plugins/spectrochempy-iris
python -m pytest tests/
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