RDKit: StripSmallFragments.h Source File

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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
14namespace RDKit {
15namespace 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:545
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