OESetMCSExhaustiveSearchTruncationLimitΒΆ

void OESetMCSExhaustiveSearchTruncationLimit(unsigned int limit)

Sets the number of unique partial substructures that can be traversed during the exhaustive MCS search. If this limit is reached than the exhaustive MCS search throws a “MCS search truncated” waning and terminates returning the maximum common substructures identified prior to reaching this limit.

Warning

Use this function with caution. Reducing the default limit will result in terminating the exhaustive MCS searches prematurely thereby preventing them from locating the maximum common substructure(s). Increasing this limit can result in significantly increasing the execution time in case of complex or large molecule pairs.