OpenStructure
Main Page
Related Pages
Modules
Namespaces
Data Structures
Files
Examples
File List
Globals
All
Data Structures
Namespaces
Files
Functions
Variables
Typedefs
Enumerations
Enumerator
Properties
Friends
Macros
Groups
Pages
stage
include
ost
mol
alg
structure_analysis.hh
Go to the documentation of this file.
1
//------------------------------------------------------------------------------
2
// This file is part of the OpenStructure project <www.openstructure.org>
3
//
4
// Copyright (C) 2008-2011 by the OpenStructure authors
5
//
6
// This library is free software; you can redistribute it and/or modify it under
7
// the terms of the GNU Lesser General Public License as published by the Free
8
// Software Foundation; either version 3.0 of the License, or (at your option)
9
// any later version.
10
// This library is distributed in the hope that it will be useful, but WITHOUT
11
// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
12
// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
13
// details.
14
//
15
// You should have received a copy of the GNU Lesser General Public License
16
// along with this library; if not, write to the Free Software Foundation, Inc.,
17
// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
18
//------------------------------------------------------------------------------
19
20
/*
21
* Niklaus Johner
22
*/
23
#ifndef OST_STRUCTURE_ANALYSIS_HH
24
#define OST_STRUCTURE_ANALYSIS_HH
25
26
#include <
ost/mol/alg/module_config.hh
>
27
28
#include <
ost/mol/entity_view.hh
>
29
#include <
ost/mol/entity_handle.hh
>
30
#if OST_IMG_ENABLED
31
# include <
ost/img/map.hh
>
32
#endif
33
34
namespace
ost {
namespace
mol {
namespace
alg {
35
geom::Vec3List
DLLEXPORT_OST_MOL_ALG
GetPosListFromView
(
const
EntityView& view);
36
#if OST_IMG_ENABLED
37
std::vector<Real>
DLLEXPORT_OST_MOL_ALG
CalculateAgreementWithDensityMap(
const
geom::Vec3List
& vl,
img::MapHandle
& density_map);
38
Real
DLLEXPORT_OST_MOL_ALG
CalculateAverageAgreementWithDensityMap(
const
geom::Vec3List
& vl,
img::MapHandle
& density_map);
39
#endif
40
void
DLLEXPORT_OST_MOL_ALG
WrapEntityInPeriodicCell
(EntityHandle eh,
const
geom::Vec3
cell_center,
const
geom::Vec3
basis_vec);
41
}}}
//ns
42
#endif
Generated on Mon Nov 5 2012 13:31:05 for OpenStructure by
1.8.1.1