Changelog for `syntemp`
New Release Highlights
Improvements
- **ITSGraph Enhancements**
- ITSGraph now robustly handles Unsanitized RDKit Molecules. This update resolves previous issues with hydrogen mapping, allowing for the direct use of hydrogen annotations within SMILES/SMARTS when transforming to ITSGraph. This enhancement improves the accuracy and utility of molecule transformations in computational chemistry workflows.
Deprecations
- **Consolidation of Similar Subpackages**
- As part of our ongoing efforts to streamline our software and improve maintainability, we have begun consolidating similar subpackages across projects into the `synutility` package. This shift means that functionalities previously found in `SynChemistry`, `SynUtils`, and `SynVis` are now deprecated and will be phased out. These subpackages are scheduled for removal in version 0.0.10. Users are encouraged to transition to `synutility` to continue receiving updates and support.
Codebase Cleanup
- **Function Consolidation**
- We have reduced redundancy in our codebase by eliminating overlapping functions. Key functionalities have been refined and integrated into `synutility`, enhancing coherence and reducing bloat in the `syntemp` package. This cleanup supports a leaner, more efficient suite of tools for our users.