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RDKit
Open-source cheminformatics and machine learning.
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Functions | |
RDKIT_CHEMREACTIONS_EXPORT void | pickle (const boost::shared_ptr< EnumerationStrategyBase > &enumerator, std::ostream &ss) |
pickles a EnumerationStrategy and adds the results to a stream ss More... | |
RDKIT_CHEMREACTIONS_EXPORT void | pickle (const boost::shared_ptr< EnumerationStrategyBase > &enumerator, std::string &s) |
RDKIT_CHEMREACTIONS_EXPORT boost::shared_ptr< EnumerationStrategyBase > | fromPickle (std::istream &pickle) |
RDKIT_CHEMREACTIONS_EXPORT boost::shared_ptr< EnumerationStrategyBase > | fromPickle (const std::string &pickle) |
a pointer to the EnumerationStrategyBase More... | |
RDKIT_CHEMREACTIONS_EXPORT boost::shared_ptr<EnumerationStrategyBase> RDKit::EnumerationStrategyPickler::fromPickle | ( | std::istream & | pickle | ) |
constructs a EnumerationStrategy from a pickle stored in a string Since an EnumerationStrategyBase is polymorphic, this must return a shared pointer to the EnumerationStrategyBase
Referenced by RDKit::EnumerateLibraryBase::initFromString().
RDKIT_CHEMREACTIONS_EXPORT boost::shared_ptr<EnumerationStrategyBase> RDKit::EnumerationStrategyPickler::fromPickle | ( | const std::string & | pickle | ) |
a pointer to the EnumerationStrategyBase
RDKIT_CHEMREACTIONS_EXPORT void RDKit::EnumerationStrategyPickler::pickle | ( | const boost::shared_ptr< EnumerationStrategyBase > & | enumerator, |
std::ostream & | ss | ||
) |
pickles a EnumerationStrategy and adds the results to a stream ss
Referenced by RDKit::FragCatalogEntry::FragCatalogEntry(), RDKit::FragCatParams::FragCatParams(), RDKit::EnumerateLibrary::getReagents(), RDCatalog::HierarchCatalog< entryType, paramType, orderType >::HierarchCatalog(), RDKit::EnumerateLibraryBase::initFromString(), RDKit::MolCatalogParams::MolCatalogParams(), RDKit::MolPickler::pickleMol(), RDKit::ReactionPickler::pickleReaction(), and ChemicalFeatures::FreeChemicalFeature::setPos().
RDKIT_CHEMREACTIONS_EXPORT void RDKit::EnumerationStrategyPickler::pickle | ( | const boost::shared_ptr< EnumerationStrategyBase > & | enumerator, |
std::string & | s | ||
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