/usr/include/votca/csg/map.h is in libvotca-csg-dev 1.4.1-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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* Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
*
*/
#ifndef _map_H
#define _map_H
#include <string>
#include <vector>
#include <votca/tools/vec.h>
#include <votca/tools/property.h>
#include "molecule.h"
namespace votca { namespace csg {
using namespace votca::tools;
using namespace std;
class BeadMap;
/*******************************************************
Mapper class, collection of maps
*******************************************************/
class Map
{
public:
Map(Molecule &in, Molecule &out)
: _in(in), _out(out) {}
~Map();
void AddBeadMap(BeadMap *bmap) { _maps.push_back(bmap); }
void Apply();
protected:
Molecule _in, _out;
vector<BeadMap *> _maps;
};
/*******************************************************
Interface for all maps
*******************************************************/
class BeadMap
{
public:
virtual ~BeadMap() {};
virtual void Apply() = 0;
virtual void Initialize(Molecule *in, Bead *out, Property *opts_map, Property *opts_bead);
protected:
Molecule *_in;
Bead *_out;
Property *_opts_map;
Property *_opts_bead;
};
inline void BeadMap::Initialize(Molecule *in, Bead *out, Property *opts_bead, Property *opts_map)
{
_in = in; _out = out; _opts_map = opts_map; _opts_bead = opts_bead;
}
/*******************************************************
Linear map for spherical beads
*******************************************************/
class Map_Sphere
: public BeadMap
{
public:
Map_Sphere() {}
void Apply();
void Initialize(Molecule *in, Bead *out, Property *opts_bead, Property *opts_map);
protected:
void AddElem(Bead *in, double weight, double force_weight);
struct element_t {
Bead *_in;
double _weight;
double _force_weight;
};
vector<element_t> _matrix;
};
inline void Map_Sphere::AddElem(Bead *in, double weight, double force_weight)
{
element_t el;
el._in = in;
el._weight = weight;
el._force_weight = force_weight;
_matrix.push_back(el);
}
/*******************************************************
Linear map for ellipsoidal bead
*******************************************************/
class Map_Ellipsoid
: public Map_Sphere
{
public:
Map_Ellipsoid() { }
void Apply();
protected:
};
}}
#endif /* _map_H */
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