00001 // 00002 // Copyright (C) 2006 Greg Landrum 00003 // 00004 #ifndef _RD_MOL_CATALOG_PARAMS_H_ 00005 #define _RD_MOL_CATALOG_PARAMS_H_ 00006 00007 #include <Catalogs/CatalogParams.h> 00008 #include <string> 00009 #include <iostream> 00010 00011 00012 namespace RDKit { 00013 00014 //! container for user parameters used to create a mol catalog 00015 class MolCatalogParams : public RDCatalog::CatalogParams { 00016 00017 public: 00018 MolCatalogParams() { 00019 d_typeStr = "MolCatalog Parameters"; 00020 } 00021 00022 ~MolCatalogParams(); 00023 00024 //! copy constructor 00025 MolCatalogParams(const MolCatalogParams &other) { 00026 d_typeStr=other.d_typeStr; 00027 } 00028 //! construct from a pickle string (serialized representation) 00029 MolCatalogParams(const std::string &pickle); 00030 00031 //! serializes to the stream 00032 void toStream(std::ostream &) const; 00033 //! returns a serialized (pickled) form 00034 std::string Serialize() const; 00035 //! initialize from a stream containing a pickle 00036 void initFromStream(std::istream &ss); 00037 //! initialize from a string containing a pickle 00038 void initFromString(const std::string &text); 00039 }; 00040 } 00041 00042 #endif
1.5.3