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MolCatalogParams.h
Go to the documentation of this file.
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//
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// Copyright (C) 2006 Greg Landrum
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//
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#include <
RDGeneral/export.h
>
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#ifndef _RD_MOL_CATALOG_PARAMS_H_
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#define _RD_MOL_CATALOG_PARAMS_H_
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#include <
Catalogs/CatalogParams.h
>
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#include <string>
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namespace
RDKit
{
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//! container for user parameters used to create a mol catalog
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class
RDKIT_MOLCATALOG_EXPORT
MolCatalogParams
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:
public
RDCatalog::CatalogParams
{
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public
:
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MolCatalogParams
() {
d_typeStr
=
"MolCatalog Parameters"
; }
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~MolCatalogParams
()
override
;
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//! copy constructor
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MolCatalogParams
(
const
MolCatalogParams
&other) {
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d_typeStr
= other.
d_typeStr
;
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}
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//! construct from a pickle string (serialized representation)
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MolCatalogParams
(
const
std::string &pickle);
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//! serializes to the stream
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void
toStream
(std::ostream &)
const override
;
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//! returns a serialized (pickled) form
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std::string
Serialize
()
const override
;
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//! initialize from a stream containing a pickle
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void
initFromStream
(std::istream &ss)
override
;
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//! initialize from a string containing a pickle
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void
initFromString
(
const
std::string &text)
override
;
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};
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}
// namespace RDKit
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#endif
CatalogParams.h
RDCatalog::CatalogParams
abstract base class for the container used to create a catalog
Definition
CatalogParams.h:18
RDCatalog::CatalogParams::d_typeStr
std::string d_typeStr
our type string
Definition
CatalogParams.h:38
RDKit::MolCatalogParams::initFromString
void initFromString(const std::string &text) override
initialize from a string containing a pickle
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams(const std::string &pickle)
construct from a pickle string (serialized representation)
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams()
Definition
MolCatalogParams.h:17
RDKit::MolCatalogParams::toStream
void toStream(std::ostream &) const override
serializes to the stream
RDKit::MolCatalogParams::Serialize
std::string Serialize() const override
returns a serialized (pickled) form
RDKit::MolCatalogParams::initFromStream
void initFromStream(std::istream &ss) override
initialize from a stream containing a pickle
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams(const MolCatalogParams &other)
copy constructor
Definition
MolCatalogParams.h:22
RDKit::MolCatalogParams::~MolCatalogParams
~MolCatalogParams() override
export.h
RDKIT_MOLCATALOG_EXPORT
#define RDKIT_MOLCATALOG_EXPORT
Definition
export.h:381
RDKit
Std stuff.
Definition
Abbreviations.h:19
GraphMol
MolCatalog
MolCatalogParams.h
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