/usr/include/votca/csg/boundarycondition.h is in libvotca-csg2-dev 1.2.4-2.1.
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 __VOTCA_BOUNDARYCONDITION_H
#define __VOTCA_BOUNDARYCONDITION_H
#include <votca/tools/matrix.h>
namespace votca { namespace csg {
using namespace std;
using namespace votca::tools;
class BoundaryCondition {
public:
/**
* set the simulation box
* \param box triclinic box matrix
*/
void setBox(const matrix &box) { _box = box; };
/**
* get the simulation box
* \return triclinic box matrix
*/
const matrix &getBox() { return _box; };
/**
* get the volume of the box
* \return box volume as double
*/
virtual double BoxVolume();
/**
* get shortest connection vector between r_i and r_j with respect to the (periodic) box
* \return shortest distance vector
*/
virtual vec BCShortestConnection(const vec &r_i, const vec &r_j) const = 0;
enum eBoxtype {
typeAuto = 0,
typeTriclinic,
typeOrthorhombic,
typeOpen
};
virtual eBoxtype getBoxType() = 0;
protected:
matrix _box;
};
}}
#endif /* BOUNDARYCONDITION_H */
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