RDKit
Open-source cheminformatics and machine learning.
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SmilesJSONParsers.h
Go to the documentation of this file.
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//
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// Copyright (C) 2024 Novartis Biomedical Research and other RDKit contributors
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#pragma once
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#include "
SmilesWrite.h
"
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namespace
RDKit
{
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RDKIT_SMILESPARSE_EXPORT
void
updateSmilesWriteParamsFromJSON
(
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SmilesWriteParams
¶ms,
const
std::string &
details_json
);
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RDKIT_SMILESPARSE_EXPORT
void
updateSmilesWriteParamsFromJSON
(
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SmilesWriteParams
¶ms,
const
char
*
details_json
);
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RDKIT_SMILESPARSE_EXPORT
void
updateCXSmilesFieldsFromJSON
(
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std::uint32_t &
cxSmilesFields
,
unsigned
int
&
restoreBondDirs
,
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const
std::string &
details_json
);
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RDKIT_SMILESPARSE_EXPORT
void
updateCXSmilesFieldsFromJSON
(
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std::uint32_t &
cxSmilesFields
,
unsigned
int
&
restoreBondDirs
,
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const
char
*
details_json
);
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}
// end namespace RDKit
SmilesWrite.h
RDKIT_SMILESPARSE_EXPORT
#define RDKIT_SMILESPARSE_EXPORT
Definition
export.h:505
RDKit
Std stuff.
Definition
Abbreviations.h:19
RDKit::rdvalue_is
bool rdvalue_is(const RDValue_cast_t)
Definition
RDValue-doublemagic.h:372
RDKit::updateCXSmilesFieldsFromJSON
RDKIT_SMILESPARSE_EXPORT void updateCXSmilesFieldsFromJSON(std::uint32_t &cxSmilesFields, unsigned int &restoreBondDirs, const std::string &details_json)
RDKit::updateSmilesWriteParamsFromJSON
RDKIT_SMILESPARSE_EXPORT void updateSmilesWriteParamsFromJSON(SmilesWriteParams ¶ms, const std::string &details_json)
RDKit::SmilesWriteParams
Definition
SmilesWrite.h:30
GraphMol
SmilesParse
SmilesJSONParsers.h
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