public static ExplicitBitVect GetMorganFingerprintAsBitVect(ROMol mol, int radius, int nBits = 2048, UInt_Vect invariants = null, UInt_Vect fromAtoms = null, bool useChirality = false, bool useBondTypes = true, bool onlyNonzeroInvariants = false, BitInfoMap atomsSettingBits = null)
{
if (invariants == null)
{
invariants = new UInt_Vect(0);
}
if (fromAtoms == null)
{
fromAtoms = new UInt_Vect(0);
}
return(RDKFuncs.getMorganFingerprintAsBitVect(mol, (uint)radius, (uint)nBits, invariants, fromAtoms, useChirality, useBondTypes, onlyNonzeroInvariants, atomsSettingBits));
}
public static SparseIntVectu32 GetMorganFingerprint(ROMol mol, int radius, UInt_Vect invariants = null, UInt_Vect fromAtoms = null, bool useChirality = false, bool useBondTypes = true, bool onlyNonzeroInvariants = false, bool useCounts = true, BitInfoMap atomsSettingBits = null)
{
if (invariants == null)
{
invariants = new UInt_Vect(0);
}
if (fromAtoms == null)
{
fromAtoms = new UInt_Vect(0);
}
return(RDKFuncs.MorganFingerprintMol(mol, (uint)radius, invariants, fromAtoms, useChirality, useBondTypes, useCounts, onlyNonzeroInvariants, atomsSettingBits));
}