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Last change
on this file since ae8b90 was 2e2a70, checked in by Frederik Heber <heber@…>, 16 years ago |
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Refactored atom.cpp into multiple files.
After the class atom was refactored into multiple base classes that are inherited, these base classes are also all put into separate files. This is basically a preparatory step for the like-wise refactoring of class molecule into inherited base classes and splitting up (that is there done already). Finally, we will also separate the relations, i.e. not have "atom.hpp" included everywhere and use class atom, but rather the subclasses such as TrajectoryParticle and its header files only.
Signed-off-by: Frederik Heber <heber@…>
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Property mode
set to
100644
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File size:
912 bytes
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| 1 | /*
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| 2 | * atom_trajectoryparticleinfo.hpp
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| 3 | *
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| 4 | * Created on: Oct 19, 2009
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef ATOM_TRAJECTORYPARTICLEINFO_HPP_
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| 9 | #define ATOM_TRAJECTORYPARTICLEINFO_HPP_
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| 10 |
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| 11 | using namespace std;
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| 12 |
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| 13 | /*********************************************** includes ***********************************/
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| 14 |
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| 15 | // include config.h
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| 16 | #ifdef HAVE_CONFIG_H
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| 17 | #include <config.h>
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| 18 | #endif
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| 19 |
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| 20 | #include <vector>
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| 21 |
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| 22 | #include "vector.hpp"
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| 23 |
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| 24 | /********************************************** declarations *******************************/
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| 25 |
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| 26 | class TrajectoryParticleInfo {
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| 27 | public:
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| 28 | struct
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| 29 | {
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| 30 | vector<Vector> R; //!< position vector
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| 31 | vector<Vector> U; //!< velocity vector
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| 32 | vector<Vector> F; //!< last force vector
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| 33 | } Trajectory;
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| 34 | int FixedIon; //!< config variable that states whether forces act on the ion or not
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| 35 |
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| 36 | TrajectoryParticleInfo();
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| 37 | ~TrajectoryParticleInfo();
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| 38 |
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| 39 | private:
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| 40 | };
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| 41 |
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| 42 | #endif /* ATOM_TRAJECTORYPARTICLEINFO_HPP_ */
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