RDKit
Open-source cheminformatics and machine learning.
RDKit::PicklerOps Namespace Reference

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 = 0x00010000 , NoConformers
}
 

Functions

template<class T >
QueryDetails getQueryDetails (const Queries::Query< int, T const *, true > *query)
 

Typedef Documentation

◆ QueryDetails

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.

Enumeration Type Documentation

◆ PropertyPickleOptions

Enumerator
NoProps 
MolProps 
AtomProps 
BondProps 
QueryAtomData 
PrivateProps 
ComputedProps 
AllProps 
CoordsAsDouble 
NoConformers 

Definition at line 51 of file MolPickler.h.

Function Documentation

◆ getQueryDetails()

template<class T >
QueryDetails RDKit::PicklerOps::getQueryDetails ( const Queries::Query< int, T const *, true > *  query)