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51 lines
1.1 KiB
C++
51 lines
1.1 KiB
C++
//
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//
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// Copyright (C) 2020 Schrödinger, LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#pragma once
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namespace RDKit {
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namespace CIPLabeler {
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/**
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* Holds some properties that are determined when sorting/prioritising
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* substituents.
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*
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*/
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class Priority {
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public:
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Priority() = delete;
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Priority(bool unique, bool pseudoAsym)
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: d_unique{unique}, d_pseudoAsym{pseudoAsym} {}
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/**
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* Indicates whether the substituents were unique (i.e. could be ordered)
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*
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* @return whether the substituents were unique
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*/
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bool isUnique() const { return d_unique; }
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/**
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* Indicates the descriptor type used to. This allows methods that represent
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* pseudo-asymmetric molecules to indicate that the centre is
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* pseudo-asymmetric.
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*
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* @return The type of the descriptor that should be assigned
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*/
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bool isPseudoAsymetric() const { return d_pseudoAsym; }
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private:
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bool d_unique;
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bool d_pseudoAsym;
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};
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} // namespace CIPLabeler
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} // namespace RDKit
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