RDKit
Open-source cheminformatics and machine learning.
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Tetrahedral.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#include "Configuration.h"
14
15namespace RDKit {
16namespace CIPLabeler {
17
18class Tetrahedral : public Configuration {
19 public:
20 Tetrahedral() = delete;
21
23
25
26 Descriptor label(const Rules &comp) override;
27
29
30 private:
31 Descriptor label(Node *node, const Rules &comp) const;
32};
33
34} // namespace CIPLabeler
35} // namespace RDKit
The class for representing atoms.
Definition Atom.h:75
void setPrimaryLabel(Descriptor desc) override
Tetrahedral(const CIPMol &mol, Atom *focus)
Descriptor label(const Rules &comp) override
Descriptor label(Node *node, Digraph &digraph, const Rules &comp) override
Std stuff.
bool rdvalue_is(const RDValue_cast_t)