RDKit
Open-source cheminformatics and machine learning.
MolCatalogParams.h
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1 //
2 // Copyright (C) 2006 Greg Landrum
3 //
4 #ifndef _RD_MOL_CATALOG_PARAMS_H_
5 #define _RD_MOL_CATALOG_PARAMS_H_
6 
8 #include <string>
9 #include <iostream>
10 
11 namespace RDKit {
12 
13 //! container for user parameters used to create a mol catalog
15  public:
16  MolCatalogParams() { d_typeStr = "MolCatalog Parameters"; }
17 
19 
20  //! copy constructor
22  d_typeStr = other.d_typeStr;
23  }
24  //! construct from a pickle string (serialized representation)
25  MolCatalogParams(const std::string &pickle);
26 
27  //! serializes to the stream
28  void toStream(std::ostream &) const;
29  //! returns a serialized (pickled) form
30  std::string Serialize() const;
31  //! initialize from a stream containing a pickle
32  void initFromStream(std::istream &ss);
33  //! initialize from a string containing a pickle
34  void initFromString(const std::string &text);
35 };
36 }
37 
38 #endif
void initFromStream(std::istream &ss)
initialize from a stream containing a pickle
void toStream(std::ostream &) const
serializes to the stream
std::string Serialize() const
returns a serialized (pickled) form
MolCatalogParams(const MolCatalogParams &other)
copy constructor
std::string d_typeStr
our type string
Definition: CatalogParams.h:37
Std stuff.
Definition: Atom.h:29
void initFromString(const std::string &text)
initialize from a string containing a pickle
container for user parameters used to create a mol catalog
abstract base class for the container used to create a catalog
Definition: CatalogParams.h:17
void pickle(const boost::shared_ptr< EnumerationStrategyBase > &enumerator, std::ostream &ss)
pickles a EnumerationStrategy and adds the results to a stream ss