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RDKit
Open-source cheminformatics and machine learning.
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Abstract base class to be used to represent an entry in a Catalog. More...
#include <CatalogEntry.h>
Public Member Functions | |
| virtual | ~CatalogEntry ()=0 |
| void | setBitId (int bid) |
| sets our bit Id | |
| int | getBitId () const |
| returns our bit Id | |
| virtual std::string | getDescription () const =0 |
| returns a text description of this entry | |
| virtual void | toStream (std::ostream &ss) const =0 |
| serializes (pickles) to a stream | |
| virtual std::string | Serialize () const =0 |
| returns a string with a serialized (pickled) representation | |
| virtual void | initFromStream (std::istream &ss)=0 |
| initializes from a stream pickle | |
| virtual void | initFromString (const std::string &text)=0 |
| initializes from a string pickle | |
Abstract base class to be used to represent an entry in a Catalog.
Definition at line 19 of file CatalogEntry.h.
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pure virtual |
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inline |
returns our bit Id
Definition at line 27 of file CatalogEntry.h.
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pure virtual |
returns a text description of this entry
Implemented in RDKit::FilterCatalogEntry, RDKit::FragCatalogEntry, and RDKit::MolCatalogEntry.
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pure virtual |
initializes from a stream pickle
Implemented in RDKit::FilterCatalogEntry, RDKit::FragCatalogEntry, RDKit::MolCatalogEntry, RDKit::MolStandardize::AcidBaseCatalogEntry, RDKit::MolStandardize::FragmentCatalogEntry, RDKit::MolStandardize::TautomerCatalogEntry, and RDKit::MolStandardize::TransformCatalogEntry.
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pure virtual |
initializes from a string pickle
Implemented in RDKit::FilterCatalogEntry, RDKit::FragCatalogEntry, RDKit::MolCatalogEntry, RDKit::MolStandardize::AcidBaseCatalogEntry, RDKit::MolStandardize::FragmentCatalogEntry, RDKit::MolStandardize::TautomerCatalogEntry, and RDKit::MolStandardize::TransformCatalogEntry.
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pure virtual |
returns a string with a serialized (pickled) representation
Implemented in RDKit::FilterCatalogEntry, RDKit::FragCatalogEntry, RDKit::MolCatalogEntry, RDKit::MolStandardize::AcidBaseCatalogEntry, RDKit::MolStandardize::FragmentCatalogEntry, RDKit::MolStandardize::TautomerCatalogEntry, and RDKit::MolStandardize::TransformCatalogEntry.
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inline |
sets our bit Id
Definition at line 24 of file CatalogEntry.h.
Referenced by RDKit::MolStandardize::AcidBaseCatalogEntry::AcidBaseCatalogEntry(), RDKit::FragCatalogEntry::FragCatalogEntry(), RDKit::MolStandardize::FragmentCatalogEntry::FragmentCatalogEntry(), RDKit::MolCatalogEntry::MolCatalogEntry(), RDKit::MolStandardize::TautomerCatalogEntry::TautomerCatalogEntry(), and RDKit::MolStandardize::TransformCatalogEntry::TransformCatalogEntry().
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pure virtual |
serializes (pickles) to a stream
Implemented in RDKit::FilterCatalogEntry, RDKit::FragCatalogEntry, RDKit::MolCatalogEntry, RDKit::MolStandardize::AcidBaseCatalogEntry, RDKit::MolStandardize::FragmentCatalogEntry, RDKit::MolStandardize::TautomerCatalogEntry, and RDKit::MolStandardize::TransformCatalogEntry.