1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
|
//
//
// Copyright (C) 2020 Schrödinger, LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include "Rule1b.h"
namespace RDKit {
namespace CIPLabeler {
Rule1b::Rule1b() = default;
int Rule1b::compare(const Edge *a, const Edge *b) const {
if (IUPAC_2013) {
return -three_way_comparison(a->getEnd()->getDistance(),
b->getEnd()->getDistance());
} else {
if (a->getEnd()->isSet(Node::RING_DUPLICATE) &&
b->getEnd()->isSet(Node::RING_DUPLICATE)) {
return -three_way_comparison(a->getEnd()->getDistance(),
b->getEnd()->getDistance());
} else {
if (a->getEnd()->isSet(Node::RING_DUPLICATE) &&
!b->getEnd()->isSet(Node::RING_DUPLICATE)) {
return +1;
}
if (!a->getEnd()->isSet(Node::RING_DUPLICATE) &&
b->getEnd()->isSet(Node::RING_DUPLICATE)) {
return -1;
}
return 0;
}
}
}
} // namespace CIPLabeler
} // namespace RDKit
|
