public static RDKitSparseVector FromSIV(SparseIntVect64 vector)
{
var o = new RDKitSparseVector()
{
Size = vector.Count(),
};
o.Nonzero = new Dictionary<long, int>();
foreach (var e in vector.getNonzero())
{
o.Nonzero.Add(e.first, e.second);
}
return o;
}
static double RDKit_SimilaritySIV64(Func <SparseIntVect64, SparseIntVect64, bool, double, double> func, string fp1, string fp2, bool returnDistance, double bounds)
{
var val = double.NaN;
try
{
var sv1 = RDKitSparseVector.FromJsonToSIV(fp1);
var sv2 = RDKitSparseVector.FromJsonToSIV(fp2);
val = func(sv1, sv2, returnDistance, bounds);
}
catch (Exception)
{
}
return(val);
}
public static string ToExcelString(SparseIntVect64 vector)
{
return(RDKitSparseVector.ToJson(vector));
}
