Development plan
Current status (implemented in the 0.1.x line)
- stable element metadata
- curated covalent, van der Waals, and atomic-radius support datasets
- explicit provenance and coverage metadata
- generic value-policy core plus radii and X–H convenience wrappers
- substitution and linear transfer
- custom element-indexed scalar sets
- policy-backed transfer sources
- nested-policy safeguards, transfer-depth tracking, and cycle detection
- provisional X–H support via
csd_legacy_xh_cno, XHPolicy, and
DEFAULT_XH_POLICY
Planned for 0.2.x
- broader X–H datasets and policies
- experimental plus computational support sets
- pairwise helper logic such as reference sums and normalization schemes
- restoration of incomplete experimental data from broader-support predictors
Longer-term design ideas
- radial atomic reference functions
- simple proto-density support based on spherically averaged atomic data
Possible future directions
- more radii sets
- uncertainty and confidence flags
- ion-specific or atom-type-specific domains
- density-derived radii and related reference transforms