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:
17  MolCatalogParams() { d_typeStr = "MolCatalog Parameters"; }
18 
20 
21  //! copy constructor
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;
30  //! returns a serialized (pickled) form
31  std::string Serialize() const;
32  //! initialize from a stream containing a pickle
33  void initFromStream(std::istream &ss);
34  //! initialize from a string containing a pickle
35  void initFromString(const std::string &text);
36 };
37 }
38 
39 #endif
MolCatalogParams(const MolCatalogParams &other)
copy constructor
std::string d_typeStr
our type string
Definition: CatalogParams.h:38
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
Std stuff.
Definition: Atom.h:30
container for user parameters used to create a mol catalog
#define RDKIT_MOLCATALOG_EXPORT
Definition: export.h:359
RDKIT_RDGENERAL_EXPORT std::ostream & toStream(std::ostream &)
abstract base class for the container used to create a catalog
Definition: CatalogParams.h:18