Fix_FitPartialCharges
      
      
        
          | Last change
 on this file since eaf08f was             ea0c8b, checked in by Frederik Heber <heber@…>, 14 years ago | 
        
          | 
FIX: ParticleInfo did use ptr instead of const ref in copy cstor.
 is only used for atom's copy cstor.
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          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            1.4 KB | 
      
      
| Rev | Line |  | 
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| [6b919f8] | 1 | /* | 
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|  | 2 | * atom_particleinfo.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_PARTICLEINFO_HPP_ | 
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|  | 9 | #define ATOM_PARTICLEINFO_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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| [7188b1] | 20 | #include "atom_observable.hpp" | 
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|  | 21 |  | 
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| [986ed3] | 22 | #include <iosfwd> | 
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| [5e8e02] | 23 | #include <string> | 
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| [6b919f8] | 24 |  | 
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|  | 25 | /****************************************** forward declarations *****************************/ | 
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|  | 26 |  | 
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|  | 27 |  | 
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|  | 28 | /********************************************** declarations *******************************/ | 
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|  | 29 |  | 
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| [7188b1] | 30 | class ParticleInfo : public virtual AtomObservable { | 
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| [6b919f8] | 31 | public: | 
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|  | 32 | ParticleInfo(); | 
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| [ea0c8b] | 33 | ParticleInfo(const ParticleInfo &); | 
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| [d74077] | 34 | virtual ~ParticleInfo(); | 
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| [6b919f8] | 35 |  | 
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| [ba5215] | 36 | /** Getter for name. | 
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|  | 37 | * | 
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|  | 38 | * @return name of particle | 
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|  | 39 | */ | 
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| [68f03d] | 40 | const std::string& getName() const; | 
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| [5309ba] | 41 | /** Getter for Nr. | 
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| [ba5215] | 42 | * | 
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|  | 43 | * @return number of particle | 
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|  | 44 | */ | 
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|  | 45 | const int& getNr() const; | 
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| [5309ba] | 46 | /** Setter for Nr. | 
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| [a479fa] | 47 | * | 
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|  | 48 | * @param newnr number of particle | 
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|  | 49 | */ | 
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|  | 50 | void setNr(const int newnr); | 
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| [ba5215] | 51 | /** Setter for name. | 
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|  | 52 | * | 
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|  | 53 | * @param newname new name of particle | 
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|  | 54 | */ | 
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|  | 55 | void setName(const std::string &newname); | 
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| [68f03d] | 56 |  | 
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| [b453f9] | 57 | ostream & operator << (ostream &ost) const; | 
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| [6b919f8] | 58 |  | 
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| [735b1c] | 59 | protected: | 
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| [5309ba] | 60 | int Nr;       // index to easierly identify, only protected as used in atom::sort | 
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| [735b1c] | 61 |  | 
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| [6b919f8] | 62 | private: | 
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| [68f03d] | 63 | std::string name;   // some name to reference to on output | 
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| [6b919f8] | 64 | }; | 
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|  | 65 |  | 
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|  | 66 | ostream & operator << (ostream &ost, const ParticleInfo &a); | 
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|  | 67 |  | 
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|  | 68 | #endif /* ATOM_PARTICLEINFO_HPP_ */ | 
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