| 88 | 
  | 
    }; | 
| 89 | 
  | 
 | 
| 90 | 
  | 
    DataStorage(); | 
| 91 | 
< | 
    DataStorage(int size, int storageLayout = 0); | 
| 91 | 
> | 
    DataStorage(std::size_t size, int storageLayout = 0); | 
| 92 | 
  | 
    /** return the size of this DataStorage. */ | 
| 93 | 
< | 
    int getSize(); | 
| 93 | 
> | 
    std::size_t getSize(); | 
| 94 | 
  | 
    /** | 
| 95 | 
  | 
     * Changes the size of this DataStorage. | 
| 96 | 
  | 
     * @param newSize new size of this DataStorage | 
| 97 | 
  | 
     */ | 
| 98 | 
< | 
    void resize(int newSize); | 
| 98 | 
> | 
    void resize(std::size_t newSize); | 
| 99 | 
  | 
    /** | 
| 100 | 
  | 
     * Reallocates memory manually.  | 
| 101 | 
  | 
     * | 
| 104 | 
  | 
     * then it is usually more efficient to allocate that memory all | 
| 105 | 
  | 
     * at once. | 
| 106 | 
  | 
     */ | 
| 107 | 
< | 
    void reserve(int size); | 
| 107 | 
> | 
    void reserve(std::size_t size); | 
| 108 | 
  | 
    /** | 
| 109 | 
  | 
     * Copies data inside DataStorage class. | 
| 110 | 
  | 
     * | 
| 116 | 
  | 
     * @param num number of element to be moved | 
| 117 | 
  | 
     * @param target | 
| 118 | 
  | 
     */ | 
| 119 | 
< | 
    void copy(int source, int num, int target); | 
| 119 | 
> | 
    void copy(int source, std::size_t num, std::size_t target); | 
| 120 | 
  | 
    /** Returns the storage layout  */ | 
| 121 | 
  | 
    int getStorageLayout(); | 
| 122 | 
  | 
    /** Sets the storage layout  */ | 
| 143 | 
  | 
    vector<RealType> flucQFrc;        /** fluctuating charge forces */ | 
| 144 | 
  | 
    vector<RealType> sitePotential;   /** electrostatic site potentials */ | 
| 145 | 
  | 
 | 
| 146 | 
< | 
    static int getBytesPerStuntDouble(int layout); | 
| 146 | 
> | 
    static std::size_t getBytesPerStuntDouble(int layout); | 
| 147 | 
  | 
 | 
| 148 | 
  | 
  private: | 
| 149 | 
  | 
 | 
| 152 | 
  | 
    RealType* internalGetArrayPointer(vector<RealType>& v); | 
| 153 | 
  | 
             | 
| 154 | 
  | 
    template<typename T> | 
| 155 | 
< | 
    void internalResize(std::vector<T>& v, int newSize); | 
| 155 | 
> | 
    void internalResize(std::vector<T>& v, std::size_t newSize); | 
| 156 | 
  | 
 | 
| 157 | 
  | 
    template<typename T> | 
| 158 | 
< | 
    void internalCopy(std::vector<T>& v, int source,  int num, int target); | 
| 158 | 
> | 
    void internalCopy(std::vector<T>& v, int source, std::size_t num, std::size_t target); | 
| 159 | 
  | 
             | 
| 160 | 
< | 
    int size_; | 
| 160 | 
> | 
    std::size_t size_; | 
| 161 | 
  | 
    int storageLayout_; | 
| 162 | 
  | 
 | 
| 163 | 
  | 
  }; |