RDKit: MolCatalogParams.h Source File

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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
7 #include <Catalogs/CatalogParams.h>
8 #include <string>
9 #include <iostream>
10
11 namespace RDKit {
12
13 //! container for user parameters used to create a mol catalog
14 class MolCatalogParams : public RDCatalog::CatalogParams {
15 public:
16 MolCatalogParams() { d_typeStr = "MolCatalog Parameters"; }
17
18 ~MolCatalogParams();
19
20 //! copy constructor
21 MolCatalogParams(const MolCatalogParams &other) {
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
RDKit::MolCatalogParams::initFromStream
void initFromStream(std::istream &ss)
initialize from a stream containing a pickle
RDKit::MolCatalogParams::toStream
void toStream(std::ostream &) const
serializes to the stream
RDKit::MolCatalogParams::Serialize
std::string Serialize() const
returns a serialized (pickled) form
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams(const MolCatalogParams &other)
copy constructor
Definition: MolCatalogParams.h:21
RDCatalog::CatalogParams::d_typeStr
std::string d_typeStr
our type string
Definition: CatalogParams.h:37
RDKit::MolCatalogParams::~MolCatalogParams
~MolCatalogParams()
RDKit
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
RDKit::MolCatalogParams::initFromString
void initFromString(const std::string &text)
initialize from a string containing a pickle
RDKit::MolCatalogParams
container for user parameters used to create a mol catalog
Definition: MolCatalogParams.h:14
CatalogParams.h
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams()
Definition: MolCatalogParams.h:16
RDCatalog::CatalogParams
abstract base class for the container used to create a catalog
Definition: CatalogParams.h:17