RDKit: MolCatalogParams.h Source File

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MolCatalogParams.h
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1//
2// Copyright (C) 2006 Greg Landrum
3//
4#include <RDGeneral/export.h>
5#ifndef _RD_MOL_CATALOG_PARAMS_H_
6#define _RD_MOL_CATALOG_PARAMS_H_
7
8#include <Catalogs/CatalogParams.h>
9#include <string>
10
11namespace RDKit {
12
13//! container for user parameters used to create a mol catalog
14 class RDKIT_MOLCATALOG_EXPORT MolCatalogParams
15 : public RDCatalog::CatalogParams {
16 public:
17 MolCatalogParams() { d_typeStr = "MolCatalog Parameters"; }
18
19 ~MolCatalogParams() override;
20
21 //! copy constructor
22 MolCatalogParams(const MolCatalogParams &other) {
23 d_typeStr = other.d_typeStr;
24 }
25 //! construct from a pickle string (serialized representation)
26 MolCatalogParams(const std::string &pickle);
27
28 //! serializes to the stream
29 void toStream(std::ostream &) const override;
30 //! returns a serialized (pickled) form
31 std::string Serialize() const override;
32 //! initialize from a stream containing a pickle
33 void initFromStream(std::istream &ss) override;
34 //! initialize from a string containing a pickle
35 void initFromString(const std::string &text) override;
36};
37} // namespace RDKit
38
39#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::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:17
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:22
RDKit::MolCatalogParams::~MolCatalogParams
~MolCatalogParams() override
export.h
RDKIT_MOLCATALOG_EXPORT
#define RDKIT_MOLCATALOG_EXPORT
Definition export.h:297
RDKit
Std stuff.
Definition Abbreviations.h:19