RDKit
Open-source cheminformatics and machine learning.
Toggle main menu visibility
Loading...
Searching...
No Matches
StripSmallFragments.h
Go to the documentation of this file.
1
//
2
// Copyright (C) 2016 Novartis Institutes for BioMedical Research
3
//
4
// @@ All Rights Reserved @@
5
// This file is part of the RDKit.
6
// The contents are covered by the terms of the BSD license
7
// which is included in the file license.txt, found at the root
8
// of the RDKit source tree.
9
//
10
#include <
RDGeneral/export.h
>
11
#pragma once
12
#include "
StructChecker.h
"
13
14
namespace
RDKit
{
15
namespace
StructureCheck
{
16
RDKIT_STRUCTCHECKER_EXPORT
bool
StripSmallFragments
(
RWMol
&mol,
17
bool
verbose =
false
);
18
RDKIT_STRUCTCHECKER_EXPORT
void
AddMWMF
(
19
RWMol
&mol,
20
bool
pre);
// set mol formula & mass properties "MW_PRE" or "MW_POST"
21
}
// namespace StructureCheck
22
}
// namespace RDKit
StructChecker.h
Contains the public API of the StructChecker.
RDKit::RWMol
RWMol is a molecule class that is intended to be edited.
Definition
RWMol.h:32
export.h
RDKIT_STRUCTCHECKER_EXPORT
#define RDKIT_STRUCTCHECKER_EXPORT
Definition
export.h:691
RDKit::StructureCheck
Definition
Pattern.h:16
RDKit::StructureCheck::AddMWMF
RDKIT_STRUCTCHECKER_EXPORT void AddMWMF(RWMol &mol, bool pre)
RDKit::StructureCheck::StripSmallFragments
RDKIT_STRUCTCHECKER_EXPORT bool StripSmallFragments(RWMol &mol, bool verbose=false)
RDKit
Std stuff.
Definition
Abbreviations.h:19
GraphMol
StructChecker
StripSmallFragments.h
Generated on
for RDKit by
1.17.0