Chemical Data Processing Library C++ API - Version 1.1.1
CDPL
ConfGen
ConfGen/BondFunctions.hpp
Go to the documentation of this file.
1
/*
2
* BondFunctions.hpp
3
*
4
* This file is part of the Chemical Data Processing Toolkit
5
*
6
* Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
7
*
8
* This library is free software; you can redistribute it and/or
9
* modify it under the terms of the GNU Lesser General Public
10
* License as published by the Free Software Foundation; either
11
* version 2 of the License, or (at your option) any later version.
12
*
13
* This library is distributed in the hope that it will be useful,
14
* but WITHOUT ANY WARRANTY; without even the implied warranty of
15
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
16
* Lesser General Public License for more details.
17
*
18
* You should have received a copy of the GNU Lesser General Public License
19
* along with this library; see the file COPYING. If not, write to
20
* the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
21
* Boston, MA 02111-1307, USA.
22
*/
23
29
#ifndef CDPL_CONFGEN_BONDFUNCTIONS_HPP
30
#define CDPL_CONFGEN_BONDFUNCTIONS_HPP
31
32
#include "
CDPL/ConfGen/APIPrefix.hpp
"
33
34
35
namespace
CDPL
36
{
37
38
namespace
Chem
39
{
40
41
class
Bond;
42
class
MolecularGraph;
43
}
// namespace Chem
44
45
namespace
ConfGen
46
{
47
48
CDPL_CONFGEN_API
bool
isFragmentLinkBond
(
const
Chem::Bond
& bond,
const
Chem::MolecularGraph
& molgraph);
49
50
CDPL_CONFGEN_API
bool
isRotatableBond
(
const
Chem::Bond
& bond,
const
Chem::MolecularGraph
& molgraph,
bool
het_h_rotors);
51
}
// namespace ConfGen
52
}
// namespace CDPL
53
54
#endif // CDPL_CONFGEN_BONDFUNCTIONS_HPP
CDPL::Chem::Bond
Bond.
Definition:
Bond.hpp:50
CDPL::Chem::MolecularGraph
MolecularGraph.
Definition:
MolecularGraph.hpp:52
APIPrefix.hpp
Definition of the preprocessor macro CDPL_CONFGEN_API.
CDPL::ConfGen::isRotatableBond
CDPL_CONFGEN_API bool isRotatableBond(const Chem::Bond &bond, const Chem::MolecularGraph &molgraph, bool het_h_rotors)
CDPL_CONFGEN_API
#define CDPL_CONFGEN_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::ConfGen::isFragmentLinkBond
CDPL_CONFGEN_API bool isFragmentLinkBond(const Chem::Bond &bond, const Chem::MolecularGraph &molgraph)
Generated by
1.8.20