/usr/include/votca/csg/beadpair.h is in libvotca-csg-dev 1.4.1-1build1.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 | /*
* 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 _BEADPAIR_H
#define _BEADPAIR_H
namespace votca { namespace csg {
using namespace votca::tools;
/**
\brief A particle pair
This class defines a particle pair. The future plan is, that the Pair class
can be overloaded and Particle list creates these inherited pairs.
*/
class BeadPair
: public std::pair<Bead *, Bead *>
{
public:
BeadPair() {}
BeadPair(Bead *bead1, Bead *bead2, vec r)
: std::pair<Bead *, Bead *>(bead1, bead2), _r(r), _dist(abs(r)) {}
virtual ~BeadPair() {}
/// \brief the vector connecting two beads
vec &r() { return _r; }
/// \brief the distance of the beads
double &dist() { return _dist; }
protected:
vec _r;
double _dist;
};
}}
#endif /* _PAIR_H */
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