MolCatalogParams.h
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//
// Copyright (C) 2006 Greg Landrum
//
#include <RDGeneral/export.h>
#ifndef _RD_MOL_CATALOG_PARAMS_H_
#define _RD_MOL_CATALOG_PARAMS_H_
#include <Catalogs/CatalogParams.h>
#include <string>
#include <iostream>
namespace RDKit {
//! container for user parameters used to create a mol catalog
class RDKIT_MOLCATALOG_EXPORT MolCatalogParams
: public RDCatalog::CatalogParams {
public:
MolCatalogParams() { d_typeStr = "MolCatalog Parameters"; }
~MolCatalogParams() override;
//! copy constructor
MolCatalogParams(const MolCatalogParams &other) {
d_typeStr = other.d_typeStr;
}
//! construct from a pickle string (serialized representation)
MolCatalogParams(const std::string &pickle);
//! serializes to the stream
void toStream(std::ostream &) const override;
//! returns a serialized (pickled) form
std::string Serialize() const override;
//! initialize from a stream containing a pickle
void initFromStream(std::istream &ss) override;
//! initialize from a string containing a pickle
void initFromString(const std::string &text) override;
};
} // namespace RDKit
#endif
CatalogParams.h
RDCatalog::CatalogParams
abstract base class for the container used to create a catalog
Definition: CatalogParams.h:18
RDCatalog::CatalogParams::d_typeStr
std::string d_typeStr
our type string
Definition: CatalogParams.h:38
RDKit::MolCatalogParams
container for user parameters used to create a mol catalog
Definition: MolCatalogParams.h:16
RDKit::MolCatalogParams::initFromString
void initFromString(const std::string &text) override
initialize from a string containing a pickle
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams(const std::string &pickle)
construct from a pickle string (serialized representation)
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams()
Definition: MolCatalogParams.h:18
RDKit::MolCatalogParams::toStream
void toStream(std::ostream &) const override
serializes to the stream
RDKit::MolCatalogParams::Serialize
std::string Serialize() const override
returns a serialized (pickled) form
RDKit::MolCatalogParams::initFromStream
void initFromStream(std::istream &ss) override
initialize from a stream containing a pickle
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams(const MolCatalogParams &other)
copy constructor
Definition: MolCatalogParams.h:23
RDKit::MolCatalogParams::~MolCatalogParams
~MolCatalogParams() override
export.h
RDKIT_MOLCATALOG_EXPORT
#define RDKIT_MOLCATALOG_EXPORT
Definition: export.h:249
RDKit::EnumerationStrategyPickler::pickle
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
RDKit
Std stuff.
Definition: Abbreviations.h:18