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RDKit
Open-source cheminformatics and machine learning.
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Typedefs | |
using | QueryDetails = boost::variant< MolPickler::Tags, std::tuple< MolPickler::Tags, int32_t >, std::tuple< MolPickler::Tags, int32_t, int32_t >, std::tuple< MolPickler::Tags, int32_t, int32_t, int32_t, char >, std::tuple< MolPickler::Tags, std::set< int32_t > > > |
Enumerations | |
enum | PropertyPickleOptions { NoProps = 0 , MolProps = 0x1 , AtomProps = 0x2 , BondProps = 0x4 , QueryAtomData , PrivateProps = 0x10 , ComputedProps = 0x20 , AllProps = 0x0000FFFF , CoordsAsDouble = 0x0001FFFF , NoConformers } |
Functions | |
template<class T > | |
QueryDetails | getQueryDetails (const Queries::Query< int, T const *, true > *query) |
using RDKit::PicklerOps::QueryDetails = typedef boost::variant< MolPickler::Tags, std::tuple<MolPickler::Tags, int32_t>, std::tuple<MolPickler::Tags, int32_t, int32_t>, std::tuple<MolPickler::Tags, int32_t, int32_t, int32_t, char>, std::tuple<MolPickler::Tags, std::set<int32_t> >> |
Definition at line 302 of file MolPickler.h.
Enumerator | |
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NoProps | |
MolProps | |
AtomProps | |
BondProps | |
QueryAtomData | |
PrivateProps | |
ComputedProps | |
AllProps | |
CoordsAsDouble | |
NoConformers |
Definition at line 51 of file MolPickler.h.
QueryDetails RDKit::PicklerOps::getQueryDetails | ( | const Queries::Query< int, T const *, true > * | query | ) |