RDKit
Open-source cheminformatics and machine learning.
MolCatalogParams.h
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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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#include <iostream>
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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
();
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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
;
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//! returns a serialized (pickled) form
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std::string Serialize()
const
;
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//! initialize from a stream containing a pickle
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void
initFromStream(std::istream &ss);
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//! initialize from a string containing a pickle
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void
initFromString(
const
std::string &text);
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};
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}
// namespace RDKit
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#endif
RDKit::EnumerationStrategyPickler::pickle
RDKIT_CHEMREACTIONS_EXPORT void pickle(const boost::shared_ptr< EnumerationStrategyBase > &enumerator, std::ostream &ss)
pickles a EnumerationStrategy and adds the results to a stream ss
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams(const MolCatalogParams &other)
copy constructor
Definition:
MolCatalogParams.h:23
RDCatalog::CatalogParams::d_typeStr
std::string d_typeStr
our type string
Definition:
CatalogParams.h:38
CatalogParams.h
RDCatalog::CatalogParams
abstract base class for the container used to create a catalog
Definition:
CatalogParams.h:18
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams()
Definition:
MolCatalogParams.h:18
RDKit
Std stuff.
Definition:
Atom.h:30
RDKIT_MOLCATALOG_EXPORT
#define RDKIT_MOLCATALOG_EXPORT
Definition:
export.h:372
RDLog::toStream
RDKIT_RDGENERAL_EXPORT std::ostream & toStream(std::ostream &)
RDKit::MolCatalogParams
container for user parameters used to create a mol catalog
Definition:
MolCatalogParams.h:15
export.h
GraphMol
MolCatalog
MolCatalogParams.h
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