Exemplo n.º 1
0
inline static float
soergel_distance (const MOLFP * fp1, const MOLFP * fp2)
{
#ifdef BUILD_WITH_INDIGO
    return 1.0f - ob_tanimoto
           (fp1->dwords+IN_SIMOFFSET,  fp2->dwords+IN_SIMOFFSET, IN_SIMFPSIZE);
#else
    return 1.0f - ob_tanimoto
           (fp1->dwords,  fp2->dwords, OB_FPSIZE2);
#endif
}
Exemplo n.º 2
0
Datum
reaction_similarity_products (PG_FUNCTION_ARGS)
{
    REACTION *rxn1 = PG_GETARG_REACTION_P (0);
    REACTION *rxn2 = PG_GETARG_REACTION_P (1);


    PG_RETURN_FLOAT8 (ob_tanimoto
                      ((const uint32 *) rxn1->fp+OB_FPSIZE2,  (const uint32 *) rxn2->fp+OB_FPSIZE2, OB_FPSIZE2));
}