What’s New in Revision 0.12.6

These are the changes in SpectroChemPy-0.12.6. See Release notes for a full changelog, including other versions of SpectroChemPy.

New Features

Added the pseudovoigt helper and pseudovoigtmodel curve-fitting model, using the existing ampl, pos, width, ratio and normalized line-shape conventions.

Baseline fitting is now stricter and more predictable: polynomial support is validated before fitting, invalid or non-intersecting ranges raise clear ValueError messages, fitted/corrected outputs preserve the input shape, and last-axis coordinates with NaN, infinities, duplicates, or direction changes are rejected before model-specific internals can produce inconsistent results. The Baseline implementation also avoids unnecessary ascending-axis sorts and reduces polynomial range-assembly overhead.
Fixed a false linearity detection in Coord that could silently replace descending coordinates containing duplicated or irregularly spaced values with an artificial uniform grid. Such coordinates are now preserved as provided, while genuinely regular ascending and descending axes keep being detected as linear.
Stateful preprocessing transformers now reset learned state reliably after constructor-parameter changes or failed refits, keep invalid set_params() calls transactional, and reject incompatible transform or inverse-transform datasets before applying learned statistics. The compatibility guard covers feature geometry, coordinate values and units, and data-unit mismatches while still allowing new observations along the fitted reduction axis.