RDKit
Open-source cheminformatics and machine learning.
StripSmallFragments.h
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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, bool verbose=false);
18  RWMol &mol,
19  bool pre); // set mol formula & mass properties "MW_PRE" or "MW_POST"
20 }
21 }
Contains the public API of the StructChecker.
RDKIT_STRUCTCHECKER_EXPORT bool StripSmallFragments(RWMol &mol, bool verbose=false)
Std stuff.
Definition: Atom.h:30
RDKIT_STRUCTCHECKER_EXPORT void AddMWMF(RWMol &mol, bool pre)
#define RDKIT_STRUCTCHECKER_EXPORT
Definition: export.h:606