match_smarts — match_smarts • depict

Find matches to a given molecule using a SMARTs pattern.

Usage

match_smarts(smarts, mol, limit = 10)

Arguments

smarts: a SMARTS string
mol: a CDK IAtomContainer or a java.util.Arraylist of them
limit: limit of the number of matches

Value

a hashset of atoms and bonds

See also

https://cdk.github.io/cdk/latest/docs/api/org/openscience/cdk/isomorphism/Mappings.html

https://cdk.github.io/cdk/latest/docs/api/org/openscience/cdk/smiles/smarts/SmartsPattern.html