RDKit
Open-source cheminformatics and machine learning.
Property.h File Reference
#include <GraphMol/RDKitBase.h>
#include <string>
#include <RDGeneral/BoostStartInclude.h>
#include <boost/shared_ptr.hpp>
#include <RDGeneral/BoostEndInclude.h>
#include <Query/Query.h>
#include <RDGeneral/Exceptions.h>

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Classes

struct  RDKit::Descriptors::PropertyFunctor
 
class  RDKit::Descriptors::Properties
 Holds a collection of properties for computation purposes. More...
 

Namespaces

 RDKit
 Std stuff.
 
 RDKit::Descriptors
 

Typedefs

typedef Queries::Query< bool, const ROMol &, true > RDKit::Descriptors::PROP_BOOL_QUERY
 
typedef Queries::AndQuery< int, const ROMol &, true > RDKit::Descriptors::PROP_AND_QUERY
 
typedef Queries::OrQuery< int, const ROMol &, true > RDKit::Descriptors::PROP_OR_QUERY
 
typedef Queries::XOrQuery< int, const ROMol &, true > RDKit::Descriptors::PROP_XOR_QUERY
 
typedef Queries::EqualityQuery< double, const ROMol &, true > RDKit::Descriptors::PROP_EQUALS_QUERY
 
typedef Queries::GreaterQuery< double, const ROMol &, true > RDKit::Descriptors::PROP_GREATER_QUERY
 
typedef Queries::GreaterEqualQuery< double, const ROMol &, true > RDKit::Descriptors::PROP_GREATEREQUAL_QUERY
 
typedef Queries::LessQuery< double, const ROMol &, true > RDKit::Descriptors::PROP_LESS_QUERY
 
typedef Queries::LessEqualQuery< double, const ROMol &, true > RDKit::Descriptors::PROP_LESSEQUAL_QUERY
 
typedef Queries::RangeQuery< double, const ROMol &, true > RDKit::Descriptors::PROP_RANGE_QUERY
 

Functions

template<class T >
T * RDKit::Descriptors::makePropertyQuery (const std::string &name, double what)
 
PROP_RANGE_QUERY * RDKit::Descriptors::makePropertyRangeQuery (const std::string &name, double min, double max)