RDKit
Open-source cheminformatics and machine learning.
MORSE.h
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1 //
2 // Copyright (c) 2016, Guillaume GODIN
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30 //
31 // Created by MORSE by Guillaume Godin
32 
33 
34 #ifndef MORSERDKIT_H_SEPT2016
35 #define MORSERDKIT_H_SEPT2016
36 
37 #ifdef RDK_BUILD_DESCRIPTORS3D
38 namespace RDKit {
39  class ROMol;
40  namespace Descriptors {
41  const std::string MORSEVersion = "1.0.0";
42  void MORSE(const ROMol&, std::vector<double> &res , int confId=-1);
43 
44  }
45 }
46 #endif
47 #endif
Std stuff.
Definition: Atom.h:29