RDKit: Priority.h Source File

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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
13namespace RDKit {
14namespace 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
RDKit::CIPLabeler::Priority::isUnique
bool isUnique() const
Definition Priority.h:33
RDKit::CIPLabeler::Priority::Priority
Priority(bool unique, bool pseudoAsym)
Definition Priority.h:25
RDKit::CIPLabeler::Priority::Priority
Priority()=delete
RDKit::CIPLabeler::Priority::isPseudoAsymetric
bool isPseudoAsymetric() const
Definition Priority.h:42
RDKit::CIPLabeler
Definition CIPLabeler.h:27
RDKit
Std stuff.
Definition Abbreviations.h:19