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Module cxsmiles

Module cxsmiles 

Source
Expand description

ChemAxon CXSMILES atom-label helpers.

Shared by paint chrome (crate::doc) and language edges. No RDKit.

Functions§

apply_cx_by_index
Apply CX aliases onto atoms by index. Only non-empty slots change labels.
cx_atom_labels
Parse CXSMILES |$a;b;c;$| aliases into a per-atom label list.
cx_source
CX source string for a mol node (prefer cxsmiles, else smiles).
smiles_base
SMILES graph only — drop |$…$| / other CX trailers.