RDKit
Open-source cheminformatics and machine learning.
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 
9 #include <string>
10 #include <iostream>
11 
12 namespace RDKit {
13 
14 //! container for user parameters used to create a mol catalog
16  : public RDCatalog::CatalogParams {
17  public:
18  MolCatalogParams() { d_typeStr = "MolCatalog Parameters"; }
19 
21 
22  //! copy constructor
24  d_typeStr = other.d_typeStr;
25  }
26  //! construct from a pickle string (serialized representation)
27  MolCatalogParams(const std::string &pickle);
28 
29  //! serializes to the stream
30  void toStream(std::ostream &) const;
31  //! returns a serialized (pickled) form
32  std::string Serialize() const;
33  //! initialize from a stream containing a pickle
34  void initFromStream(std::istream &ss);
35  //! initialize from a string containing a pickle
36  void initFromString(const std::string &text);
37 };
38 } // namespace RDKit
39 
40 #endif
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::MolCatalogParams::MolCatalogParams
MolCatalogParams(const MolCatalogParams &other)
copy constructor
Definition: MolCatalogParams.h:23
RDCatalog::CatalogParams::d_typeStr
std::string d_typeStr
our type string
Definition: CatalogParams.h:38
CatalogParams.h
RDCatalog::CatalogParams
abstract base class for the container used to create a catalog
Definition: CatalogParams.h:18
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams()
Definition: MolCatalogParams.h:18
RDKit
Std stuff.
Definition: Atom.h:30
RDKIT_MOLCATALOG_EXPORT
#define RDKIT_MOLCATALOG_EXPORT
Definition: export.h:372
RDLog::toStream
RDKIT_RDGENERAL_EXPORT std::ostream & toStream(std::ostream &)
RDKit::MolCatalogParams
container for user parameters used to create a mol catalog
Definition: MolCatalogParams.h:15
export.h