finds a mapping between the atom indices in mol and all occurrences of patt in mol.
finds at most n mappings.
Details and Options
- FindMoleculeSubstructure returns a list of associations Association[p1->m1,p2->m2,…] where pi and mi are atom indices in patt and mol, respectively.
- If n is All, all mappings are returned.
- By default, substructure matches are pruned to remove multiple matches to the same set of atoms. Use the option Overlaps->True to disable this behavior.
Introduced in 2019