CombiningParticlePotentialParsing
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1 | /*
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2 | * BondInfo.hpp
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3 | *
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4 | * Created on: Apr 5, 2012
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef BONDINFO_HPP_
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9 | #define BONDINFO_HPP_
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10 |
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11 |
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12 | // include config.h
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13 | #ifdef HAVE_CONFIG_H
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14 | #include <config.h>
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15 | #endif
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16 |
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17 | #include "types.hpp"
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18 | #include "Bond/bond.hpp"
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19 |
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20 |
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21 | /** Structure for containing bond state information.
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22 | *
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23 | * This is used for re-creating bonds during undo/redo of Action's.
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24 | *
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25 | */
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26 | struct BondInfo {
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27 | /** Constructor that takes state information from \a _bond.
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28 | *
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29 | * @param _bond bond whose state to store
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30 | */
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31 | BondInfo(const bond::ptr _bond);
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32 |
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33 | /** Recreates the bond whose state is contained in this BondInfo.
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34 | *
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35 | * @return true - bond created, false - bond already exists
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36 | */
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37 | bool RecreateBond() const;
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38 |
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39 | /** Removes the bond whose state is contained in this BondInfo.
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40 | *
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41 | */
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42 | void RemoveBond() const;
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43 |
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44 | //!> id of left bond partner
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45 | atomId_t leftid;
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46 |
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47 | //!> id of right bond partner
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48 | atomId_t rightid;
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49 |
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50 | //!> bond degree
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51 | size_t degree;
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52 | };
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53 |
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54 |
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55 |
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56 | #endif /* BONDINFO_HPP_ */
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