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* Expose molzip functionality to MinimalLib * changes from code review --------- Co-authored-by: ptosco <paolo.tosco@novartis.com> Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
28 lines
721 B
C++
28 lines
721 B
C++
//
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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 "MolFragmenter.h"
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namespace RDKit {
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//! \brief Parse MolzipParams from JSON.
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/*! The passed MolzipParams instance is updated from
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* the JSON-parsed content.
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*
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* @param params - molzip parameters
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* @param details_json - JSON string
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*/
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RDKIT_CHEMTRANSFORMS_EXPORT void parseMolzipParametersJSON(
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MolzipParams ¶ms, const char *details_json);
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} // end namespace RDKit
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