RDKit
Open-source cheminformatics and machine learning.
Priority.h
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1 //
2 //
3 // Copyright (C) 2020 Schrödinger, LLC
4 //
5 // @@ All Rights Reserved @@
6 // This file is part of the RDKit.
7 // The contents are covered by the terms of the BSD license
8 // which is included in the file license.txt, found at the root
9 // of the RDKit source tree.
10 //
11 #pragma once
12 
13 namespace RDKit {
14 namespace CIPLabeler {
15 
16 /**
17  * Holds some properties that are determined when sorting/prioritising
18  * substituents.
19  *
20  */
21 class Priority {
22  public:
23  Priority() = delete;
24 
25  Priority(bool unique, bool pseudoAsym)
26  : d_unique{unique}, d_pseudoAsym{pseudoAsym} {}
27 
28  /**
29  * Indicates whether the substituents were unique (i.e. could be ordered)
30  *
31  * @return whether the substituents were unique
32  */
33  bool isUnique() const { return d_unique; }
34 
35  /**
36  * Indicates the descriptor type used to. This allows methods that represent
37  * pseudo-asymmetric molecules to indicate that the centre is
38  * pseudo-asymmetric.
39  *
40  * @return The type of the descriptor that should be assigned
41  */
42  bool isPseudoAsymetric() const { return d_pseudoAsym; }
43 
44  private:
45  bool d_unique;
46  bool d_pseudoAsym;
47 };
48 
49 } // namespace CIPLabeler
50 } // namespace RDKit
Priority(bool unique, bool pseudoAsym)
Definition: Priority.h:25
bool isPseudoAsymetric() const
Definition: Priority.h:42
Std stuff.
Definition: Abbreviations.h:19