Data3Ddescriptors.h

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//
//  Copyright (c) 2016, Guillaume GODIN
//  All rights reserved.
//
// Redistribution and use in source and binary forms, with or without
// modification, are permitted provided that the following conditions are
// met:
//
//     * Redistributions of source code must retain the above copyright
//       notice, this list of conditions and the following disclaimer.
//     * Redistributions in binary form must reproduce the above
//       copyright notice, this list of conditions and the following
//       disclaimer in the documentation and/or other materials provided
//       with the distribution.
//     * Neither the name of Institue of Cancer Research.
//       nor the names of its contributors may be used to endorse or promote
//       products derived from this software without specific prior written
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#include <RDGeneral/export.h>
#ifndef DATA3DDESCRIPTORS_2017
#define DATA3DDESCRIPTORS_2017
 
class RDKIT_DESCRIPTORS_EXPORT Data3Ddescriptors {
 private:
  static double mw[110];
  static double vdW[110];
  static double neg[110];
  static double pol[110];
  static double ionpol[110];
  static double rcov[110];
 
 public:
  Data3Ddescriptors();
  double* getMW();
  double* getVDW();
  double* getNEG();
  double* getPOL();
  double* getIonPOL();
  double* getRCOV();
};
#endif