Substructure matching options¶
Defines how the uniqueness of a substructure match is determined when counting or iterating unique matches.
by atoms; “CCC” matches “C1CC1” once
by bonds, “CCC” matches “C1CC1” three times
no test for uniqueness; “CCC” matches “C1CC1” six times
The maximum number of embeddings allowed to enumerate when counting all embeddings.
If the limit is reached, an exception is thrown. Zero value means no limit.