--
-- This SQL script creates the functions provided by Mychem
--
USE mysql;

--
-- Functions related to chemical format conversion
--
DROP FUNCTION IF EXISTS molfile_to_molecule;
CREATE FUNCTION molfile_to_molecule RETURNS STRING SONAME "libmychem_conversion.so";

DROP FUNCTION IF EXISTS molecule_to_molfile;
CREATE FUNCTION molecule_to_molfile RETURNS STRING SONAME "libmychem_conversion.so";

DROP FUNCTION IF EXISTS V3000_to_molecule;
CREATE FUNCTION V3000_to_molecule RETURNS STRING SONAME "libmychem_conversion.so";

DROP FUNCTION IF EXISTS molecule_to_V3000;
CREATE FUNCTION molecule_to_V3000 RETURNS STRING SONAME "libmychem_conversion.so";

DROP FUNCTION IF EXISTS smiles_to_molecule;
CREATE FUNCTION smiles_to_molecule RETURNS STRING SONAME "libmychem_conversion.so";

DROP FUNCTION IF EXISTS molecule_to_smiles;
CREATE FUNCTION molecule_to_smiles RETURNS STRING SONAME "libmychem_conversion.so";

DROP FUNCTION IF EXISTS molecule_to_molecule;
CREATE FUNCTION molecule_to_molecule RETURNS STRING SONAME "libmychem_conversion.so";

DROP FUNCTION IF EXISTS cml_to_molecule;
CREATE FUNCTION cml_to_molecule RETURNS STRING SONAME "libmychem_conversion.so";

DROP FUNCTION IF EXISTS molecule_to_cml;
CREATE FUNCTION molecule_to_cml RETURNS STRING SONAME "libmychem_conversion.so";

DROP FUNCTION IF EXISTS fingerprint;
CREATE FUNCTION fingerprint RETURNS STRING SONAME "libmychem_conversion.so";

--
-- Functions related to chemical match
--

DROP FUNCTION IF EXISTS match_fingerprint;
CREATE FUNCTION match_fingerprint RETURNS STRING SONAME "libmychem_molmatch.so";

DROP FUNCTION IF EXISTS tanimoto;
CREATE FUNCTION tanimoto RETURNS REAL SONAME "libmychem_molmatch.so";

DROP FUNCTION IF EXISTS find_similar;
CREATE FUNCTION find_similar RETURNS REAL SONAME "libmychem_molmatch.so";

--
-- Functions related to the helper
--
DROP FUNCTION IF EXISTS mychem_version;
CREATE FUNCTION mychem_version RETURNS STRING SONAME "libmychem_helper.so";

DROP FUNCTION IF EXISTS openbabel_version;
CREATE FUNCTION openbabel_version RETURNS STRING SONAME "libmychem_helper.so";

--
-- Functions related to chemical property calculations
--
DROP FUNCTION IF EXISTS molweight;
CREATE FUNCTION molweight RETURNS REAL SONAME "libmychem_property.so";

DROP FUNCTION IF EXISTS exactmass;
CREATE FUNCTION exactmass RETURNS REAL SONAME "libmychem_property.so";

DROP FUNCTION IF EXISTS molformula;
CREATE FUNCTION molformula RETURNS STRING SONAME "libmychem_property.so";

--
-- Functions related to chemical data modifications
--
DROP FUNCTION IF EXISTS add_hydrogens;
CREATE FUNCTION add_hydrogens RETURNS STRING SONAME "libmychem_modification.so";

DROP FUNCTION IF EXISTS remove_hydrogens;
CREATE FUNCTION remove_hydrogens RETURNS STRING SONAME "libmychem_modification.so";