Structure match
Identity
MolecularGraph.is_identical — Method.is_identical(mol1::VectorMol, mol2::VectorMol)Return whether mol1 and mol2 are identical in chemical structure.
Sub/Superstructure
MolecularGraph.is_substruct — Method.is_substruct(mol1::VectorMol, mol2::VectorMol)Return whether mol1 is a substructure of mol2.
MolecularGraph.is_superstruct — Method.is_superstruct(mol1, mol2)Return whether mol1 is a superstructure of mol2.
Molecular query
MolecularGraph.is_querymatch — Method.is_querymatch(mol, query; kwargs...)Return whether mol matches with the query.