RDKit
Open-source cheminformatics and machine learning.
Toggle main menu visibility
Main Page
Related Pages
Namespaces
Namespace List
Namespace Members
All
_
a
b
c
d
e
f
g
h
i
j
k
l
m
n
o
p
q
r
s
t
u
v
w
x
y
z
Functions
_
a
b
c
d
e
f
g
h
i
j
k
l
m
n
o
p
q
r
s
t
u
v
w
x
Variables
_
a
b
c
d
e
f
g
h
i
k
l
m
n
o
p
r
s
t
u
v
z
Typedefs
a
b
c
d
f
g
i
l
m
o
p
q
r
s
t
u
v
Enumerations
a
b
c
d
e
f
h
i
l
m
n
o
r
s
t
w
Enumerator
a
b
c
d
e
f
g
i
l
m
n
o
p
r
s
t
w
x
y
z
Classes
Class List
Class Hierarchy
Class Members
All
_
a
b
c
d
e
f
g
h
i
k
l
m
n
o
p
q
r
s
t
u
v
w
x
y
z
~
Functions
_
a
b
c
d
e
f
g
h
i
k
l
m
n
o
p
q
r
s
t
u
v
w
x
~
Variables
a
b
c
d
e
f
g
h
i
k
l
m
n
o
p
q
r
s
t
u
v
w
x
y
z
Typedefs
a
b
c
d
e
f
i
k
m
o
p
q
r
s
t
v
Enumerations
Enumerator
a
b
c
d
e
f
g
h
i
k
m
n
o
p
q
r
s
t
u
v
w
x
z
Related Symbols
Files
File List
File Members
All
a
b
c
d
e
f
i
k
l
m
n
o
p
r
s
t
u
v
z
Functions
a
b
c
d
f
i
k
m
n
o
r
s
t
u
Variables
b
c
f
i
l
m
n
o
p
r
s
t
v
z
Typedefs
Macros
a
b
c
d
f
i
m
n
p
r
s
t
u
v
•
All
Classes
Namespaces
Files
Functions
Variables
Typedefs
Enumerations
Enumerator
Friends
Macros
Pages
Loading...
Searching...
No Matches
Priority.h
Go to the documentation of this file.
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
} {}
25
Priority
(
bool
unique
,
bool
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
};
21
class
Priority
{
…
};
48
49
}
// namespace CIPLabeler
50
}
// namespace RDKit
RDKit::CIPLabeler::Priority
Definition
Priority.h:21
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
Std stuff.
Definition
Abbreviations.h:19
RDKit::rdvalue_is
bool rdvalue_is(const RDValue_cast_t)
Definition
RDValue-doublemagic.h:372
GraphMol
CIPLabeler
Priority.h
Generated on Thu Apr 10 2025 08:37:15 for RDKit by
1.9.8