RDKit
Open-source cheminformatics and machine learning.
EEM.h
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2 // Copyright (c) 2017, Guillaume GODIN
3 // "Copyright 2013-2016 Tomas Racek (tom@krab1k.net)"
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28 
29 
30 #ifndef EEMRDKIT_H_SEPT2017
31 #define EEMRDKIT_H_SEPT2017
32 
33 #ifdef RDK_BUILD_DESCRIPTORS3D
34 namespace RDKit {
35 class ROMol;
36 namespace Descriptors {
37 const std::string EEMVersion = "1.0.0";
38  void RDKIT_DESCRIPTORS_EXPORT EEM(ROMol &mol, std::vector<double> &res, int confId);
39 }
40 }
41 #endif
42 #endif
#define RDKIT_DESCRIPTORS_EXPORT
Definition: export.h:138
Std stuff.
Definition: Atom.h:30