RDKit
Open-source cheminformatics and machine learning.
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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
12namespace RDKit {
13
14//! container for user parameters used to create a mol catalog
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 override;
31 //! returns a serialized (pickled) form
32 std::string Serialize() const override;
33 //! initialize from a stream containing a pickle
34 void initFromStream(std::istream &ss) override;
35 //! initialize from a string containing a pickle
36 void initFromString(const std::string &text) override;
37};
38} // namespace RDKit
39
40#endif
abstract base class for the container used to create a catalog
std::string d_typeStr
our type string
container for user parameters used to create a mol catalog
void initFromString(const std::string &text) override
initialize from a string containing a pickle
MolCatalogParams(const std::string &pickle)
construct from a pickle string (serialized representation)
void toStream(std::ostream &) const override
serializes to the stream
std::string Serialize() const override
returns a serialized (pickled) form
void initFromStream(std::istream &ss) override
initialize from a stream containing a pickle
MolCatalogParams(const MolCatalogParams &other)
copy constructor
~MolCatalogParams() override
#define RDKIT_MOLCATALOG_EXPORT
Definition export.h:281
Std stuff.