Substructure matching options¶
embedding-uniqueness¶
- type
enum
- default
atoms
- description
Defines how the uniqueness of a substructure match is determined when counting or iterating unique matches.
- atoms:
by atoms; “CCC” matches “C1CC1” once
- bonds:
by bonds, “CCC” matches “C1CC1” three times
- none:
no test for uniqueness; “CCC” matches “C1CC1” six times
max-embeddings¶
- type
int
- default
0
- description
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.