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Last change
on this file since 5aefaa was e7e088, checked in by Tillmann Crueger <crueger@…>, 16 years ago |
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Added Descriptor that allows querying of atoms by their type
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Property mode
set to
100644
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File size:
1011 bytes
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| [2e2a70] | 1 | /*
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| 2 | * atom_atominfo.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_ATOMINFO_HPP_
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| 9 | #define ATOM_ATOMINFO_HPP_
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| 10 |
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| 11 |
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| 12 | using namespace std;
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| 13 |
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| 14 | /*********************************************** includes ***********************************/
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| 15 |
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| 16 | // include config.h
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| 17 | #ifdef HAVE_CONFIG_H
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| 18 | #include <config.h>
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| 19 | #endif
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| 20 |
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| 21 | #include "vector.hpp"
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| 22 |
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| 23 | /****************************************** forward declarations *****************************/
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| 24 |
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| 25 | class element;
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| 26 |
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| 27 | /********************************************** declarations *******************************/
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| 28 |
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| 29 | class AtomInfo {
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| 30 | public:
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| 31 | Vector x; //!< coordinate vector of atom, giving last position within cell
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| 32 | Vector v; //!< velocity vector of atom, giving last velocity within cell
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| 33 | Vector F; //!< Force vector of atom, giving last force within cell
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| 34 | element *type; //!< pointing to element
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| 35 |
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| 36 | AtomInfo();
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| 37 | ~AtomInfo();
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| 38 |
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| [e7e088] | 39 | element *getType();
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| 40 | void setType(element *);
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| 41 | void setType(int);
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| 42 |
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| [2e2a70] | 43 | private:
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| 44 | };
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| 45 |
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| 46 | #endif /* ATOM_ATOMINFO_HPP_ */
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