diff --git a/Code/GraphMol/MolPickler.h b/Code/GraphMol/MolPickler.h index 4055a7d0c..f10293ffc 100644 --- a/Code/GraphMol/MolPickler.h +++ b/Code/GraphMol/MolPickler.h @@ -47,13 +47,13 @@ class RDKIT_GRAPHMOL_EXPORT MolPicklerException : public std::exception { namespace PicklerOps { typedef enum { NoProps = 0, // no data pickled (default pickling, single-precision coords) - MolProps = BOOST_BINARY(1), // only public non computed properties - AtomProps = BOOST_BINARY(10), - BondProps = BOOST_BINARY(100), - QueryAtomData = BOOST_BINARY( - 10), // n.b. DEPRECATED and set to AtomProps (does the same work) - PrivateProps = BOOST_BINARY(10000), - ComputedProps = BOOST_BINARY(100000), + MolProps = 0x1, // only public non computed properties + AtomProps = 0x2, + BondProps = 0x4, + QueryAtomData = + 0x2, // n.b. DEPRECATED and set to AtomProps (does the same work) + PrivateProps = 0x10, + ComputedProps = 0x20, AllProps = 0x0000FFFF, // all data pickled CoordsAsDouble = 0x0001FFFF // save coordinates in double precision } PropertyPickleOptions; diff --git a/Code/JavaWrappers/csharp_wrapper/GraphMolCSharp.i b/Code/JavaWrappers/csharp_wrapper/GraphMolCSharp.i index 0ba9881f2..7ee571c9f 100644 --- a/Code/JavaWrappers/csharp_wrapper/GraphMolCSharp.i +++ b/Code/JavaWrappers/csharp_wrapper/GraphMolCSharp.i @@ -270,14 +270,14 @@ typedef unsigned long long int uintmax_t; %include %template(TanimotoSimilarityEBV) TanimotoSimilarity; %template(DiceSimilarityEBV) DiceSimilarity; +%template(DiceSimilarity) RDKit::DiceSimilarity; */ -%template(DiceSimilarity) RDKit::DiceSimilarity; /* vector */ %template(Int_Vect) std::vector; %template(Byte_Vect) std::vector; %template(Double_Vect) std::vector; -%template(UInt_Vect) std::vector; +%template(UInt_Vect) std::vector; %template(Str_Vect) std::vector ; %template(Point_Vect) std::vector; %template(Point2D_Vect) std::vector; @@ -285,9 +285,9 @@ typedef unsigned long long int uintmax_t; %template(Atomic_Params_Vect) std::vector; /* pair */ -%template(Int_Pair) std::pair; +%template(Int_Pair) std::pair; %template(Double_Pair) std::pair; -%template(UInt_Pair) std::pair; +%template(UInt_Pair) std::pair; %template(Long_Pair) std::pair; /* map */ @@ -298,8 +298,8 @@ typedef unsigned long long int uintmax_t; %template(Int_Int_Vect_List_Map) std::map > >; /* vector pair */ -%template(UInt_Pair_Vect) std::vector >; -%template(Match_Vect) std::vector >; +%template(UInt_Pair_Vect) std::vector >; +%template(Match_Vect) std::vector >; %template(Long_Pair_Vect) std::vector >; /* vector vector */