1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
|
//
// Copyright (C) 2016 Novartis Institutes for BioMedical Research
//
// @@ 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 <RDGeneral/export.h>
#pragma once
#include "StructChecker.h"
namespace RDKit {
namespace StructureCheck {
RDKIT_STRUCTCHECKER_EXPORT bool StripSmallFragments(RWMol &mol,
bool verbose = false);
RDKIT_STRUCTCHECKER_EXPORT void AddMWMF(
RWMol &mol,
bool pre); // set mol formula & mass properties "MW_PRE" or "MW_POST"
} // namespace StructureCheck
} // namespace RDKit
|
