RDKit
Open-source cheminformatics and machine learning.
SanitException.h
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1 //
2 // Copyright (C) 2002-2006 Rational Discovery LLC
3 //
4 // @@ All Rights Reserved @@
5 // This file is part of the RDKit.
6 // The contents are covered by the terms of the BSD license
7 // which is included in the file license.txt, found at the root
8 // of the RDKit source tree.
9 //
10 
11 #ifndef _RD_SANITEXCEPTION_H
12 #define _RD_SANITEXCEPTION_H
13 
14 #include <RDGeneral/types.h>
15 #include <GraphMol/GraphMol.h>
16 #include <GraphMol/Atom.h>
17 #include <GraphMol/Bond.h>
18 
19 #include <string>
20 #include <vector>
21 #include <exception>
22 
23 namespace RDKit {
24 
25 //! class for flagging sanitization errors
26 class MolSanitizeException : public std::exception {
27  public:
28  MolSanitizeException(const char *msg) : _msg(msg){};
29  MolSanitizeException(const std::string &msg) : _msg(msg){};
30  const char *message() const { return _msg.c_str(); };
31  ~MolSanitizeException() throw(){};
32 
33  private:
34  std::string _msg;
35 };
36 }
37 
38 #endif
class for flagging sanitization errors
pulls in RWMol and ROMol
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:29
MolSanitizeException(const std::string &msg)
const char * message() const
Defines the Atom class and associated typedefs.
MolSanitizeException(const char *msg)