[Rdkit-devel] Default values for morgan fingerprints / incomplete uninstall_rdkit.sql script

[Adrian S. <am...@ca...>]

Hi Greg,

I have seen on the wiki that you wanted to include a default value for
the morganbv_fp() function - a very easy and straightforward
implementation looks like this:

CREATE OR REPLACE FUNCTION morganbv_fp(mol,int default 2)
RETURNS bfp
AS '$libdir/rdkit'
LANGUAGE C STRICT IMMUTABLE;

I don't know when this was implemented in PostgreSQL but it works fine in 9.0+.

Another thing: The uninstall_rdkit.sql script is not complete: Some
types and operators are left, the qmol type for example.

Cheers,

Adrian