Graphsim Implementation NotesΒΆ

The graphsim functions uses a random access file to cache OEGraph molecules with attached fingerprint data. A delete of a molecule results in an empty space “hole” in the random access file. Thus as the underlying table data is edited the ramdom access file will contain more and more unused space. This is solved by performing a full rebuild. The normal rebuild empties the change log table but does not completely reconstruct the random access cache file.

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