RDKit
Open-source cheminformatics and machine learning.
AUTOCORR3D.h
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2 // Copyright (c) 2016, Guillaume GODIN
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34 // Created by Guillaume GODIN, 2016
35 
36 
37 #ifndef AUTOCORR3DRDKIT_H_SEPT2016
38 #define AUTOCORR3DRDKIT_H_SEPT2016
39 
40 #ifdef RDK_BUILD_DESCRIPTORS3D
41 namespace RDKit {
42 class ROMol;
43 namespace Descriptors {
44 const std::string AUTOCORR3DVersion = "1.0.0";
45 void AUTOCORR3D(const ROMol &, std::vector<double> &res, int confId = -1);
46 }
47 }
48 #endif
49 #endif
Std stuff.
Definition: Atom.h:29