| 1 | tim | 667 | /* | 
| 2 |  |  | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 |  |  | * | 
| 4 |  |  | * 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 | tim | 667 | *    notice, this list of conditions and the following disclaimer. | 
| 11 |  |  | * | 
| 12 | gezelter | 1390 | * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 | tim | 667 | *    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 | gezelter | 1879 | * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (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 | 667 | */ | 
| 42 |  |  |  | 
| 43 | tim | 672 | #ifndef IO_PARAMCONSTRAINT_HPP | 
| 44 |  |  | #define IO_PARAMCONSTRAINT_HPP | 
| 45 |  |  | #include <sstream> | 
| 46 | tim | 673 | #include "utils/CaseConversion.hpp" | 
| 47 | tim | 677 | #include "utils/StringTokenizer.hpp" | 
| 48 | gezelter | 1390 | namespace OpenMD { | 
| 49 | skuang | 1341 | /** | 
| 50 |  |  | * This class allows to recognize constraint predicates, so that they can be combined using | 
| 51 |  |  | * composition operators. Every constraint predicate must be derived from this class | 
| 52 |  |  | */ | 
| 53 |  |  | template<typename Derived> | 
| 54 |  |  | struct ParamConstraintFacade { | 
| 55 | tim | 672 | std::string getConstraintDescription() {return description_;} | 
| 56 | skuang | 1341 | protected: | 
| 57 |  |  | std::string description_; | 
| 58 |  |  | }; | 
| 59 | tim | 672 |  | 
| 60 | skuang | 1341 | struct NotEmptyConstraint : public ParamConstraintFacade<NotEmptyConstraint>{ | 
| 61 |  |  |  | 
| 62 | tim | 672 | NotEmptyConstraint() { description_= "nonempty";} | 
| 63 | gezelter | 1879 | bool operator()( const std::string &data ) const { | 
| 64 | skuang | 1341 | return !data.empty(); | 
| 65 | tim | 672 | } | 
| 66 | skuang | 1341 | }; | 
| 67 | tim | 672 |  | 
| 68 | skuang | 1341 | struct ZeroConstraint : public ParamConstraintFacade<ZeroConstraint>{ | 
| 69 | tim | 672 |  | 
| 70 | tim | 677 | ZeroConstraint() {this->description_ = "zero";} | 
| 71 | tim | 672 | template<typename DataType> | 
| 72 |  |  | bool operator()( DataType data ) const { | 
| 73 | skuang | 1341 | return data == 0; | 
| 74 | tim | 672 | } | 
| 75 | skuang | 1341 | }; | 
| 76 | tim | 672 |  | 
| 77 | skuang | 1341 | struct NonZeroConstraint : public ParamConstraintFacade<NonZeroConstraint>{ | 
| 78 | tim | 677 | NonZeroConstraint() {this->description_ = "nonzero";} | 
| 79 | tim | 672 |  | 
| 80 |  |  | template<typename DataType> | 
| 81 |  |  | bool operator()( DataType data ) const { | 
| 82 | skuang | 1341 | return data != 0; | 
| 83 | tim | 672 | } | 
| 84 | skuang | 1341 | }; | 
| 85 | tim | 672 |  | 
| 86 | skuang | 1341 | struct PositiveConstraint : public ParamConstraintFacade<PositiveConstraint>{ | 
| 87 | tim | 677 | PositiveConstraint() {this->description_ = "positive";} | 
| 88 | tim | 672 | template<typename DataType> | 
| 89 |  |  | bool operator()( DataType data ) const | 
| 90 |  |  | { | 
| 91 | skuang | 1341 | return data > 0; | 
| 92 | tim | 672 | } | 
| 93 | skuang | 1341 | }; | 
| 94 | tim | 672 |  | 
| 95 | skuang | 1341 | struct NonPositiveConstraint : public ParamConstraintFacade<NonPositiveConstraint>{ | 
| 96 | tim | 677 | NonPositiveConstraint() {this->description_ = "nonpositive";} | 
| 97 | tim | 672 | template<typename DataType> | 
| 98 |  |  | bool operator()( DataType data ) const | 
| 99 |  |  | { | 
| 100 | skuang | 1341 | return data <= 0; | 
| 101 | tim | 672 | } | 
| 102 | skuang | 1341 | }; | 
| 103 | tim | 672 |  | 
| 104 | skuang | 1341 | struct NegativeConstraint : public ParamConstraintFacade<NegativeConstraint>{ | 
| 105 | tim | 677 | NegativeConstraint() {this->description_ = "negative";} | 
| 106 | tim | 672 | template<typename DataType> | 
| 107 |  |  | bool operator()( DataType data ) const | 
| 108 |  |  | { | 
| 109 | skuang | 1341 | return data < 0; | 
| 110 | tim | 672 | } | 
| 111 | skuang | 1341 | }; | 
| 112 | tim | 672 |  | 
| 113 | skuang | 1341 | struct NonNegativeConstraint : public ParamConstraintFacade<NonNegativeConstraint>{ | 
| 114 | tim | 677 | NonNegativeConstraint() {this->description_ = "nonnegative";} | 
| 115 | tim | 672 | template<typename DataType> | 
| 116 |  |  | bool operator()( DataType data ) const | 
| 117 |  |  | { | 
| 118 | skuang | 1341 | return data >= 0; | 
| 119 | tim | 672 | } | 
| 120 | skuang | 1341 | }; | 
| 121 | tim | 672 |  | 
| 122 | skuang | 1341 |  | 
| 123 |  |  | struct EvenConstraint : public ParamConstraintFacade<EvenConstraint>{ | 
| 124 |  |  | EvenConstraint() {this->description_ = "even";} | 
| 125 |  |  | template<typename DataType> | 
| 126 |  |  | bool operator()( DataType data ) const | 
| 127 |  |  | { | 
| 128 |  |  | return data % 2 == 0; | 
| 129 |  |  | } | 
| 130 |  |  | }; | 
| 131 |  |  |  | 
| 132 |  |  | template<typename T> | 
| 133 |  |  | struct LessThanConstraint : public ParamConstraintFacade<LessThanConstraint<T> > { | 
| 134 | tim | 672 |  | 
| 135 |  |  | LessThanConstraint(T rhs) : rhs_(rhs){ | 
| 136 | skuang | 1341 | std::stringstream iss; | 
| 137 |  |  | iss << "less than " << rhs; | 
| 138 |  |  | this->description_ = iss.str(); | 
| 139 | tim | 672 | } | 
| 140 |  |  | template<typename DataType> | 
| 141 |  |  | bool operator()( DataType data ) const { | 
| 142 | skuang | 1341 | return data < rhs_; | 
| 143 | tim | 672 | } | 
| 144 | skuang | 1341 | private: | 
| 145 |  |  | T rhs_; | 
| 146 |  |  | }; | 
| 147 | tim | 672 |  | 
| 148 | skuang | 1341 | template<typename T> | 
| 149 |  |  | struct LessThanOrEqualToConstraint : public ParamConstraintFacade<LessThanOrEqualToConstraint<T> > { | 
| 150 | tim | 672 |  | 
| 151 |  |  | LessThanOrEqualToConstraint(T rhs) : rhs_(rhs) { | 
| 152 | skuang | 1341 | std::stringstream iss; | 
| 153 |  |  | iss << "less than or equal to" << rhs; | 
| 154 |  |  | this->description_ = iss.str(); | 
| 155 | tim | 672 | } | 
| 156 |  |  |  | 
| 157 |  |  | template<typename DataType> | 
| 158 |  |  | bool operator()( DataType data ) const { | 
| 159 | skuang | 1341 | return data <= rhs_; | 
| 160 | tim | 672 | } | 
| 161 |  |  |  | 
| 162 | skuang | 1341 | private: | 
| 163 |  |  | T rhs_; | 
| 164 |  |  | }; | 
| 165 | tim | 672 |  | 
| 166 | skuang | 1341 | template<typename T> | 
| 167 |  |  | struct EqualConstraint : public ParamConstraintFacade<EqualConstraint<T> > { | 
| 168 | tim | 672 |  | 
| 169 |  |  | EqualConstraint(T rhs) : rhs_(rhs){ | 
| 170 | skuang | 1341 | std::stringstream iss; | 
| 171 |  |  | iss << "equal to" << rhs; | 
| 172 |  |  | this->description_ = iss.str(); | 
| 173 | tim | 672 |  | 
| 174 |  |  | } | 
| 175 |  |  | template<typename DataType> | 
| 176 |  |  | bool operator()( DataType data ) const { | 
| 177 | skuang | 1341 | return data == rhs_; | 
| 178 | tim | 672 | } | 
| 179 | skuang | 1341 | private: | 
| 180 |  |  | T rhs_; | 
| 181 |  |  | }; | 
| 182 | tim | 672 |  | 
| 183 | skuang | 1341 | struct EqualIgnoreCaseConstraint : public ParamConstraintFacade<EqualIgnoreCaseConstraint> { | 
| 184 | tim | 672 |  | 
| 185 | gezelter | 1390 | EqualIgnoreCaseConstraint(std::string rhs) : rhs_(OpenMD::toUpperCopy(rhs)){ | 
| 186 | skuang | 1341 | std::stringstream iss; | 
| 187 |  |  | iss << "equal to (case insensitive) " << rhs; | 
| 188 |  |  | this->description_ = iss.str(); | 
| 189 | tim | 672 | } | 
| 190 |  |  |  | 
| 191 |  |  | bool operator()( std::string data ) const { | 
| 192 | gezelter | 1390 | return OpenMD::toUpperCopy(data) == rhs_; | 
| 193 | tim | 672 | } | 
| 194 |  |  |  | 
| 195 | skuang | 1341 | private: | 
| 196 |  |  | std::string rhs_; | 
| 197 |  |  | }; | 
| 198 | tim | 672 |  | 
| 199 | skuang | 1341 | struct ContainsConstraint :  public ParamConstraintFacade<EqualIgnoreCaseConstraint> { | 
| 200 | gezelter | 1390 | ContainsConstraint(std::string rhs) : rhs_(OpenMD::toUpperCopy(rhs)){ | 
| 201 | skuang | 1341 | std::stringstream iss; | 
| 202 |  |  | iss << "contains " << rhs; | 
| 203 |  |  | this->description_ = iss.str(); | 
| 204 | tim | 677 | } | 
| 205 |  |  |  | 
| 206 |  |  | bool operator()( std::string data ) const { | 
| 207 | gezelter | 1390 | OpenMD::StringTokenizer tokenizer(OpenMD::toUpperCopy(data),  " ,;|\t\n\r"); | 
| 208 | skuang | 1341 | while (tokenizer.hasMoreTokens()) { | 
| 209 |  |  | if (tokenizer.nextToken() == rhs_) { | 
| 210 |  |  | return true; | 
| 211 | tim | 677 | } | 
| 212 | skuang | 1341 | } | 
| 213 | tim | 677 |  | 
| 214 | skuang | 1341 | return  false; | 
| 215 | tim | 677 | } | 
| 216 |  |  |  | 
| 217 | skuang | 1341 | private: | 
| 218 |  |  | std::string rhs_; | 
| 219 | tim | 677 |  | 
| 220 | skuang | 1341 | }; | 
| 221 | tim | 677 |  | 
| 222 | skuang | 1341 | template<typename T> | 
| 223 |  |  | struct GreaterThanConstraint : public ParamConstraintFacade<GreaterThanConstraint<T> > { | 
| 224 | tim | 672 |  | 
| 225 |  |  | GreaterThanConstraint(T rhs) : rhs_(rhs){ | 
| 226 | skuang | 1341 | std::stringstream iss; | 
| 227 |  |  | iss << "greater than" << rhs; | 
| 228 |  |  | this->description_ = iss.str(); | 
| 229 | tim | 672 | } | 
| 230 |  |  | template<typename DataType> | 
| 231 |  |  | bool operator()( DataType data ) const { | 
| 232 | skuang | 1341 | return data > rhs_; | 
| 233 | tim | 672 | } | 
| 234 | skuang | 1341 | private: | 
| 235 |  |  | T rhs_; | 
| 236 |  |  | }; | 
| 237 | tim | 672 |  | 
| 238 | skuang | 1341 | template<typename T> | 
| 239 |  |  | struct GreaterThanOrEqualTo : public ParamConstraintFacade<GreaterThanOrEqualTo<T> > { | 
| 240 | tim | 672 |  | 
| 241 |  |  | GreaterThanOrEqualTo(T rhs) : rhs_(rhs){ | 
| 242 | skuang | 1341 | std::stringstream iss; | 
| 243 |  |  | iss << "greater than or equal to" << rhs; | 
| 244 |  |  | this->description_ = iss.str(); | 
| 245 | tim | 672 | } | 
| 246 |  |  | template<typename DataType> | 
| 247 |  |  | bool operator()( DataType data ) const { | 
| 248 | skuang | 1341 | return data >= rhs_; | 
| 249 | tim | 672 | } | 
| 250 | skuang | 1341 | private: | 
| 251 |  |  | T rhs_; | 
| 252 |  |  | }; | 
| 253 | tim | 672 |  | 
| 254 | skuang | 1341 | // class_and composition predicate | 
| 255 |  |  | template<typename Cons1T, typename Cons2T> | 
| 256 |  |  | struct AndParamConstraint: public ParamConstraintFacade< AndParamConstraint<Cons1T,Cons2T> > { | 
| 257 |  |  | public: | 
| 258 | tim | 672 |  | 
| 259 |  |  | AndParamConstraint( Cons1T cons1, Cons2T cons2 ) : cons1_(cons1), cons2_(cons2) { | 
| 260 | skuang | 1341 | std::stringstream iss; | 
| 261 |  |  | iss << "(" << cons1_.getConstraintDescription() << " and " << cons2_.getConstraintDescription() << ")"; | 
| 262 |  |  | this->description_ = iss.str(); | 
| 263 | tim | 672 | } | 
| 264 |  |  |  | 
| 265 |  |  | template<typename DataType> | 
| 266 |  |  | bool operator()( DataType data ) const { | 
| 267 | skuang | 1341 | return cons1_(data) && cons2_(data); | 
| 268 | tim | 672 | } | 
| 269 |  |  |  | 
| 270 | skuang | 1341 | private: | 
| 271 | tim | 672 | Cons1T cons1_; | 
| 272 |  |  | Cons2T cons2_; | 
| 273 | skuang | 1341 | }; | 
| 274 | tim | 672 |  | 
| 275 |  |  |  | 
| 276 |  |  |  | 
| 277 | skuang | 1341 | template<typename Cons1T, typename Cons2T> | 
| 278 |  |  | struct OrParamConstraint: public ParamConstraintFacade< OrParamConstraint<Cons1T,Cons2T> > { | 
| 279 |  |  | public: | 
| 280 | tim | 672 |  | 
| 281 |  |  | OrParamConstraint( Cons1T cons1, Cons2T cons2 ) : cons1_(cons1), cons2_(cons2) { | 
| 282 | skuang | 1341 | std::stringstream iss; | 
| 283 |  |  | iss << cons1_.getConstraintDescription() << " or " << cons2_.getConstraintDescription() << ""; | 
| 284 |  |  | this->description_ = iss.str(); | 
| 285 |  |  | } | 
| 286 | tim | 672 |  | 
| 287 |  |  | template<typename DataType> | 
| 288 |  |  | bool operator()( DataType data ) const { | 
| 289 | skuang | 1341 | return cons1_(data) || cons2_(data); | 
| 290 | tim | 672 | } | 
| 291 |  |  |  | 
| 292 | skuang | 1341 | private: | 
| 293 | tim | 672 | Cons1T cons1_; | 
| 294 |  |  | Cons2T cons2_; | 
| 295 | skuang | 1341 | }; | 
| 296 | tim | 672 |  | 
| 297 | skuang | 1341 | template<typename ConsT> | 
| 298 |  |  | struct NotParamConstraint: public ParamConstraintFacade< NotParamConstraint<ConsT> > { | 
| 299 |  |  | public: | 
| 300 | tim | 672 |  | 
| 301 |  |  |  | 
| 302 |  |  | NotParamConstraint( ConsT cons) : cons_(cons) { | 
| 303 | skuang | 1341 | std::stringstream iss; | 
| 304 |  |  | iss << "(not" << cons_.getConstraintDescription() << ")"; | 
| 305 |  |  | this->description_ = iss.str(); | 
| 306 | tim | 672 | } | 
| 307 |  |  |  | 
| 308 |  |  | template<typename DataType> | 
| 309 |  |  | bool operator()( DataType data ) const { | 
| 310 | skuang | 1341 | return !cons_(data); | 
| 311 | tim | 672 | } | 
| 312 |  |  |  | 
| 313 | skuang | 1341 | private: | 
| 314 | tim | 672 | ConsT cons_; | 
| 315 | skuang | 1341 | }; | 
| 316 | tim | 672 |  | 
| 317 |  |  |  | 
| 318 | skuang | 1341 | template<typename Cons1T, typename Cons2T> | 
| 319 |  |  | inline AndParamConstraint<Cons1T, Cons2T> | 
| 320 |  |  | operator &&(const ParamConstraintFacade<Cons1T>& cons1,  const ParamConstraintFacade<Cons2T>& cons2 ) { | 
| 321 | tim | 672 |  | 
| 322 |  |  | return AndParamConstraint<Cons1T,Cons2T>( | 
| 323 | skuang | 1341 | *static_cast<const Cons1T*>(&cons1), | 
| 324 |  |  | *static_cast<const Cons2T*>(&cons2) ); | 
| 325 |  |  | } | 
| 326 | tim | 672 |  | 
| 327 | skuang | 1341 | template<typename Cons1T, typename Cons2T> | 
| 328 |  |  | inline OrParamConstraint<Cons1T, Cons2T> | 
| 329 |  |  | operator ||( const ParamConstraintFacade<Cons1T>& cons1, const ParamConstraintFacade<Cons2T>& cons2 ) { | 
| 330 | tim | 672 |  | 
| 331 |  |  | return OrParamConstraint<Cons1T,Cons2T>( | 
| 332 | skuang | 1341 | *static_cast<const Cons1T*>(&cons1), | 
| 333 |  |  | *static_cast<const Cons2T*>(&cons2) ); | 
| 334 |  |  | } | 
| 335 | tim | 672 |  | 
| 336 |  |  |  | 
| 337 | skuang | 1341 | template<typename ConsT> | 
| 338 |  |  | inline NotParamConstraint<ConsT> | 
| 339 |  |  | operator !( const ParamConstraintFacade<ConsT>& cons ) { | 
| 340 | tim | 672 |  | 
| 341 |  |  | return NotParamConstraint<ConsT>(*static_cast<const ConsT*>(&cons)); | 
| 342 | skuang | 1341 | } | 
| 343 | tim | 672 |  | 
| 344 |  |  |  | 
| 345 | skuang | 1341 | NotEmptyConstraint isNotEmpty(); | 
| 346 |  |  | ZeroConstraint isZero(); | 
| 347 | tim | 672 |  | 
| 348 | skuang | 1341 | ParamConstraintFacade<NonZeroConstraint> isNonZero(); | 
| 349 |  |  | PositiveConstraint isPositive(); | 
| 350 |  |  | NonPositiveConstraint isNonPositive(); | 
| 351 | tim | 672 |  | 
| 352 | skuang | 1341 | NegativeConstraint isNegative(); | 
| 353 | tim | 672 |  | 
| 354 | skuang | 1341 | NonNegativeConstraint isNonNegative(); | 
| 355 |  |  | EvenConstraint isEven(); | 
| 356 | tim | 672 |  | 
| 357 | skuang | 1341 | template<typename T> | 
| 358 |  |  | inline LessThanConstraint<T>isLessThan(T& v ) { | 
| 359 | tim | 672 | return LessThanConstraint<T>(v); | 
| 360 | skuang | 1341 | } | 
| 361 | tim | 672 |  | 
| 362 | skuang | 1341 | template<typename T> | 
| 363 |  |  | inline LessThanOrEqualToConstraint<T> isLessThanOrEqualTo(T& v ) { | 
| 364 | gezelter | 1782 | return LessThanOrEqualToConstraint<T>(v); | 
| 365 | skuang | 1341 | } | 
| 366 | tim | 672 |  | 
| 367 | skuang | 1341 | template<typename T> | 
| 368 |  |  | inline EqualConstraint<T> isEqual(T& v ) { | 
| 369 | tim | 672 | return EqualConstraint<T>(v); | 
| 370 | skuang | 1341 | } | 
| 371 | tim | 672 |  | 
| 372 | skuang | 1341 | template<typename T> | 
| 373 |  |  | inline GreaterThanConstraint<T> isGreaterThan(T& v ) { | 
| 374 | tim | 672 | return GreaterThanConstraint<T>(v); | 
| 375 | skuang | 1341 | } | 
| 376 | tim | 672 |  | 
| 377 | skuang | 1341 | template<typename T> | 
| 378 |  |  | inline GreaterThanOrEqualTo<T> isGreaterThanOrEqualTo(T& v ) { | 
| 379 | tim | 672 | return GreaterThanOrEqualTo<T>(v); | 
| 380 | skuang | 1341 | } | 
| 381 | tim | 672 |  | 
| 382 | skuang | 1341 | EqualIgnoreCaseConstraint isEqualIgnoreCase(std::string str); | 
| 383 | tim | 672 | } | 
| 384 |  |  | #endif |