| 1 | gezelter | 507 | /* | 
| 2 | gezelter | 246 | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 | tim | 132 | * | 
| 4 | gezelter | 246 | * The University of Notre Dame grants you ("Licensee") a | 
| 5 |  |  | * non-exclusive, royalty free, license to use, modify and | 
| 6 |  |  | * redistribute this software in source and binary code form, provided | 
| 7 |  |  | * that the following conditions are met: | 
| 8 |  |  | * | 
| 9 | gezelter | 1390 | * 1. Redistributions of source code must retain the above copyright | 
| 10 | gezelter | 246 | *    notice, this list of conditions and the following disclaimer. | 
| 11 |  |  | * | 
| 12 | gezelter | 1390 | * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 | gezelter | 246 | *    notice, this list of conditions and the following disclaimer in the | 
| 14 |  |  | *    documentation and/or other materials provided with the | 
| 15 |  |  | *    distribution. | 
| 16 |  |  | * | 
| 17 |  |  | * This software is provided "AS IS," without a warranty of any | 
| 18 |  |  | * kind. All express or implied conditions, representations and | 
| 19 |  |  | * warranties, including any implied warranty of merchantability, | 
| 20 |  |  | * fitness for a particular purpose or non-infringement, are hereby | 
| 21 |  |  | * excluded.  The University of Notre Dame and its licensors shall not | 
| 22 |  |  | * be liable for any damages suffered by licensee as a result of | 
| 23 |  |  | * using, modifying or distributing the software or its | 
| 24 |  |  | * derivatives. In no event will the University of Notre Dame or its | 
| 25 |  |  | * licensors be liable for any lost revenue, profit or data, or for | 
| 26 |  |  | * direct, indirect, special, consequential, incidental or punitive | 
| 27 |  |  | * damages, however caused and regardless of the theory of liability, | 
| 28 |  |  | * arising out of the use of or inability to use software, even if the | 
| 29 |  |  | * University of Notre Dame has been advised of the possibility of | 
| 30 |  |  | * such damages. | 
| 31 | gezelter | 1390 | * | 
| 32 |  |  | * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your | 
| 33 |  |  | * research, please cite the appropriate papers when you publish your | 
| 34 |  |  | * work.  Good starting points are: | 
| 35 |  |  | * | 
| 36 |  |  | * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | 
| 37 |  |  | * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | 
| 38 |  |  | * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). | 
| 39 | gezelter | 1782 | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 |  |  | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 | tim | 132 | */ | 
| 42 | gezelter | 246 |  | 
| 43 | tim | 132 | /** | 
| 44 |  |  | * @file GenericData.hpp | 
| 45 |  |  | * @brief | 
| 46 |  |  | * @author tlin | 
| 47 |  |  | * @date 09/20/2004 | 
| 48 |  |  | * @time 9:30am | 
| 49 |  |  | * @version 1.0 | 
| 50 |  |  | */ | 
| 51 |  |  |  | 
| 52 |  |  | #ifndef UTIL_GENERICDATA_HPP | 
| 53 |  |  | #define UTIL_GENERICDATA_HPP | 
| 54 |  |  |  | 
| 55 |  |  | #include <list> | 
| 56 | gezelter | 2 | #include <string> | 
| 57 |  |  | #include <vector> | 
| 58 | tim | 963 | #include "config.h" | 
| 59 | gezelter | 1390 | namespace OpenMD{ | 
| 60 | gezelter | 2 |  | 
| 61 | gezelter | 507 | /** | 
| 62 |  |  | * @ class GenericData GenericData.hpp "utils/GenericData.hpp" | 
| 63 |  |  | * @brief Base class for generic data which is associated with an id | 
| 64 |  |  | */ | 
| 65 |  |  | class GenericData{ | 
| 66 |  |  | public: | 
| 67 |  |  | GenericData() :  id_("UndefinedGenericData"){} | 
| 68 | gezelter | 2 |  | 
| 69 | gezelter | 507 | GenericData(const std::string& id) {  setID(id);  } | 
| 70 | gezelter | 2 |  | 
| 71 | gezelter | 507 | /** virtual destructor */ | 
| 72 |  |  | virtual ~GenericData() {} | 
| 73 | gezelter | 2 |  | 
| 74 |  |  |  | 
| 75 | gezelter | 507 | /** | 
| 76 |  |  | *  Returns the id of this generic data | 
| 77 |  |  | * | 
| 78 |  |  | * @return the id of this generic data | 
| 79 |  |  | * | 
| 80 |  |  | * @see #setID | 
| 81 |  |  | */ | 
| 82 |  |  | const std::string getID() const { return id_;  } | 
| 83 | gezelter | 2 |  | 
| 84 | gezelter | 507 | /** | 
| 85 |  |  | *  Sets the id of this generic data | 
| 86 |  |  | * | 
| 87 |  |  | * @param id the id to be set | 
| 88 |  |  | * | 
| 89 |  |  | * @see #getID | 
| 90 |  |  | */ | 
| 91 |  |  | void setID(const std::string& id) { id_ = id;  } | 
| 92 | gezelter | 2 |  | 
| 93 | tim | 132 |  | 
| 94 | gezelter | 507 | private: | 
| 95 |  |  | GenericData(const GenericData&); | 
| 96 |  |  | GenericData& operator=(GenericData&); | 
| 97 |  |  | std::string id_; | 
| 98 | gezelter | 2 |  | 
| 99 | gezelter | 507 | }; | 
| 100 | gezelter | 2 |  | 
| 101 | gezelter | 507 | /** | 
| 102 |  |  | * @class SimpleTypeData | 
| 103 |  |  | * @brief SimpleTypeData class is a POD  repository class | 
| 104 |  |  | * @warning ElemDataType must be copy constructible, and copy assignable | 
| 105 |  |  | */ | 
| 106 |  |  | template<typename ElemDataType> class SimpleTypeData : public GenericData{ | 
| 107 | gezelter | 2 |  | 
| 108 | gezelter | 507 | public: | 
| 109 |  |  | SimpleTypeData() :  GenericData(), data_(ElemDataType()) {} | 
| 110 |  |  | SimpleTypeData(const std::string& id) : GenericData(id), data_(ElemDataType()) {} | 
| 111 |  |  | SimpleTypeData(const std::string&id , const ElemDataType& data) : GenericData(id), data_(data) {} | 
| 112 |  |  | template<typename T> | 
| 113 |  |  | SimpleTypeData(const SimpleTypeData<T>& s) { | 
| 114 |  |  | data_ = s.getData(); | 
| 115 |  |  | } | 
| 116 | gezelter | 2 |  | 
| 117 | gezelter | 507 | SimpleTypeData<ElemDataType>& operator =(const SimpleTypeData<ElemDataType>& s) { | 
| 118 |  |  | if (this == &s) | 
| 119 |  |  | return *this; | 
| 120 | tim | 132 |  | 
| 121 | gezelter | 507 | data_ = s.getData(); | 
| 122 |  |  | return *this; | 
| 123 |  |  | } | 
| 124 | tim | 132 |  | 
| 125 | gezelter | 507 | template<typename T> | 
| 126 |  |  | SimpleTypeData<ElemDataType>& operator =(const SimpleTypeData<T>& s) { | 
| 127 |  |  | data_ = s.getData(); | 
| 128 |  |  | return *this; | 
| 129 |  |  | } | 
| 130 | tim | 132 |  | 
| 131 | gezelter | 507 | /** Returns POD data */ | 
| 132 |  |  | const ElemDataType& getData() const {return data_;} | 
| 133 |  |  | ElemDataType& getData()  {return data_;} | 
| 134 |  |  | /** | 
| 135 |  |  | * Sets POD data | 
| 136 |  |  | * @data POD data to be set | 
| 137 |  |  | */ | 
| 138 |  |  | void setData(const ElemDataType& data) { data_ = data;  } | 
| 139 | gezelter | 2 |  | 
| 140 | gezelter | 507 | private: | 
| 141 |  |  | ElemDataType data_; | 
| 142 |  |  | }; | 
| 143 | gezelter | 2 |  | 
| 144 | gezelter | 507 | /** BoolGenericData is a generic data type contains a bool variable */ | 
| 145 |  |  | typedef SimpleTypeData<bool> BoolGenericData; | 
| 146 | gezelter | 2 |  | 
| 147 | gezelter | 507 | /** IntGenericData is a generic data type contains an integer variable */ | 
| 148 |  |  | typedef SimpleTypeData<int> IntGenericData; | 
| 149 | gezelter | 2 |  | 
| 150 | gezelter | 507 | /** FloatGenericData is a generic data type contains a float variable */ | 
| 151 |  |  | typedef SimpleTypeData<float> FloatGenericData; | 
| 152 | gezelter | 2 |  | 
| 153 | tim | 963 | /** DoubleGenericData is a generic data type contains a RealType variable */ | 
| 154 |  |  | typedef SimpleTypeData<RealType> DoubleGenericData; | 
| 155 | tim | 132 |  | 
| 156 | gezelter | 507 | /** | 
| 157 |  |  | * @typedef StringGenericData | 
| 158 |  |  | * A generic data type contains a  std::string variable | 
| 159 |  |  | * | 
| 160 |  |  | * @code | 
| 161 |  |  | *   StringGenericData* s = new StringGenericData("MyStringGenericData"); | 
| 162 |  |  | *   PropertyMap propMap; | 
| 163 |  |  | *   GenericData* gdata; | 
| 164 |  |  | * | 
| 165 | gezelter | 1390 | *   s->setData("OpenMD"); | 
| 166 | gezelter | 507 | *   propMap->addProperty(s); | 
| 167 |  |  | * | 
| 168 |  |  | *   gdata = propMap->getPropertyByName("MyStringGenericData"); | 
| 169 |  |  | *   if (gdata != NULL){ | 
| 170 |  |  | *     s = dynamic_cast<StringGenericData*>(gdata); | 
| 171 |  |  | *     if (s != NULL) | 
| 172 |  |  | *       std::cout << s->getData() << std::endl; | 
| 173 |  |  | *   } | 
| 174 |  |  | * | 
| 175 |  |  | * @endcode | 
| 176 |  |  | */ | 
| 177 |  |  | typedef SimpleTypeData<std::string> StringGenericData; | 
| 178 | gezelter | 2 |  | 
| 179 | gezelter | 507 | /** | 
| 180 |  |  | * @class STLContainerTypeData | 
| 181 |  |  | * @brief STL container type generic data which is associated with an id | 
| 182 |  |  | * | 
| 183 |  |  | * @template ContainerType | 
| 184 |  |  | * @template ElemDataType | 
| 185 |  |  | */ | 
| 186 |  |  | template <typename ElemDataType > | 
| 187 |  |  | class VectorTypeData : public GenericData { | 
| 188 |  |  | public: | 
| 189 |  |  | typedef VectorTypeData<ElemDataType> SelfType; | 
| 190 | gezelter | 2 |  | 
| 191 | gezelter | 507 | VectorTypeData(const std::string& id) | 
| 192 |  |  | : GenericData(id){} | 
| 193 | tim | 132 |  | 
| 194 | gezelter | 877 | VectorTypeData(const SelfType& s) : data_(s){} | 
| 195 | gezelter | 2 |  | 
| 196 | gezelter | 507 | SelfType& operator =(const SelfType& s){ | 
| 197 |  |  | if (this == &s) | 
| 198 |  |  | return *this; | 
| 199 | gezelter | 2 |  | 
| 200 | gezelter | 507 | this->data_ = s.data_; | 
| 201 |  |  | return *this; | 
| 202 |  |  | } | 
| 203 | tim | 385 |  | 
| 204 | gezelter | 507 | private: | 
| 205 |  |  | std::vector<ElemDataType> data_; | 
| 206 |  |  | }; | 
| 207 | gezelter | 2 |  | 
| 208 | gezelter | 507 | /** | 
| 209 |  |  | * @typedef IntVectorGenericData | 
| 210 |  |  | * A generic data type contains a  std::vector<int> variable. | 
| 211 |  |  | */ | 
| 212 |  |  | typedef VectorTypeData<int> IntVectorGenericData; | 
| 213 | gezelter | 2 |  | 
| 214 | gezelter | 507 | /** | 
| 215 |  |  | * @typedef IntVectorGenericData | 
| 216 |  |  | * A generic data type contains a  std::vector<float> variable. | 
| 217 |  |  | */ | 
| 218 |  |  | typedef VectorTypeData<float> FloatVectorGenericData; | 
| 219 | gezelter | 2 |  | 
| 220 | gezelter | 507 | /** | 
| 221 |  |  | * @typedef IntVectorGenericData | 
| 222 | tim | 963 | * A generic data type contains a  std::vector<RealType> variable. | 
| 223 | gezelter | 507 | */ | 
| 224 | tim | 963 | typedef VectorTypeData<RealType> DoubleVectorGenericData; | 
| 225 | gezelter | 2 |  | 
| 226 | gezelter | 507 | /** | 
| 227 |  |  | * @typedef StringVectorGenericData | 
| 228 |  |  | *  A generic data type contains a  std::vector<string> variable. | 
| 229 |  |  | * | 
| 230 |  |  | * @code | 
| 231 |  |  | *  StringVectorGenericData* sv = new StringVectorGenericData("MyStringVector"); | 
| 232 |  |  | *  GenericData* gdata; | 
| 233 |  |  | *  PropertyMap propMap; | 
| 234 |  |  | *  std::vector<std::string>::iterator iter; | 
| 235 |  |  | * | 
| 236 |  |  | *  sv->push_back("Hello World"); | 
| 237 | gezelter | 1390 | *  sv->push_back("OpenMD"); | 
| 238 | gezelter | 507 | * | 
| 239 |  |  | *  propMap.addProperty(sv); | 
| 240 |  |  | * | 
| 241 |  |  | *  gdata = propMap.getPropertyByName("MyStringVector"); | 
| 242 |  |  | * | 
| 243 |  |  | *  if (gdata != NULL){ | 
| 244 |  |  | * | 
| 245 |  |  | *    sv = dynamic_cast<StringVectorGenericData*>(gdata); | 
| 246 |  |  | * | 
| 247 |  |  | *    if (sv != NULL){ | 
| 248 |  |  | *      for (iter = sv->begin(); iter != sv->end(); ++ iter) | 
| 249 |  |  | *        std::cout << *iter << std::endl; | 
| 250 |  |  | *    } | 
| 251 |  |  | *  } | 
| 252 |  |  | * @endcode | 
| 253 |  |  | */ | 
| 254 |  |  | typedef VectorTypeData<std::string> StringVectorGenericData; | 
| 255 | tim | 132 |  | 
| 256 | gezelter | 2 |  | 
| 257 | gezelter | 1390 | } // namespace OpenMD | 
| 258 | tim | 132 | #endif //UTIL _GENERICDATA_HPP |