RDKit
Open-source cheminformatics and machine learning.
AtomFeat.h
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1 //
2 // Copyright (C) 2020 Guillaume GODIN
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5 // This file is part of the RDKit.
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22 // Created by Guillaume Godin 2020
23 
24 #include <RDGeneral/export.h>
25 #ifndef AtomFeatRDKIT_H_MARC2020
26 #define AtomFeatRDKIT_H_MARC2020
27 
28 namespace RDKit {
29 class ROMol;
30 namespace Descriptors {
31 const std::string AtomFeatVersion = "1.0.0";
32 
34  const ROMol &, std::vector<double> &res, int atomid = 0, bool addchiral = false );
35 } // namespace Descriptors
36 } // namespace RDKit
37 #endif
#define RDKIT_DESCRIPTORS_EXPORT
Definition: export.h:177
RDKIT_DESCRIPTORS_EXPORT void AtomFeatVect(const ROMol &, std::vector< double > &res, int atomid=0, bool addchiral=false)
const std::string AtomFeatVersion
Definition: AtomFeat.h:31
Std stuff.
Definition: Abbreviations.h:17