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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>#include <GraphMol/RDKitBase.h>#include <string>#include <utility>#include <RDGeneral/BoostStartInclude.h>#include <boost/shared_ptr.hpp>#include <RDGeneral/BoostEndInclude.h>#include <Query/Query.h>#include <RDGeneral/Exceptions.h>Go to the source code of this file.
Classes | |
| struct | RDKit::Descriptors::PropertyFunctor |
| class | RDKit::Descriptors::Properties |
| Holds a collection of properties for computation purposes. More... | |
Namespaces | |
| namespace | RDKit |
| Std stuff. | |
| namespace | 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) |
| RDKIT_DESCRIPTORS_EXPORT PROP_RANGE_QUERY * | RDKit::Descriptors::makePropertyRangeQuery (const std::string &name, double min, double max) |