| 1 | /* $ANTLR 2.7.5 (20050406): "MDTreeParser.g" -> "MDTreeParser.cpp"$ */ | 
| 2 | #include "MDTreeParser.hpp" | 
| 3 | #include <antlr/Token.hpp> | 
| 4 | #include <antlr/AST.hpp> | 
| 5 | #include <antlr/NoViableAltException.hpp> | 
| 6 | #include <antlr/MismatchedTokenException.hpp> | 
| 7 | #include <antlr/SemanticException.hpp> | 
| 8 | #include <antlr/BitSet.hpp> | 
| 9 | #line 1 "MDTreeParser.g" | 
| 10 | #line 11 "MDTreeParser.cpp" | 
| 11 | MDTreeParser::MDTreeParser() | 
| 12 | : ANTLR_USE_NAMESPACE(antlr)TreeParser() { | 
| 13 | } | 
| 14 |  | 
| 15 | void MDTreeParser::mdfile(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 16 | ANTLR_USE_NAMESPACE(antlr)RefAST mdfile_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 17 |  | 
| 18 | try {      // for error handling | 
| 19 | { // ( ... )* | 
| 20 | for (;;) { | 
| 21 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 22 | _t = ASTNULL; | 
| 23 | if ((_tokenSet_0.member(_t->getType()))) { | 
| 24 | statement(_t); | 
| 25 | _t = _retTree; | 
| 26 | } | 
| 27 | else { | 
| 28 | goto _loop3; | 
| 29 | } | 
| 30 |  | 
| 31 | } | 
| 32 | _loop3:; | 
| 33 | } // ( ... )* | 
| 34 | #line 34 "MDTreeParser.g" | 
| 35 | blockStack.top()->validate(); blockStack.pop(); | 
| 36 | #line 37 "MDTreeParser.cpp" | 
| 37 | } | 
| 38 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 39 | reportError(ex); | 
| 40 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 41 | _t = _t->getNextSibling(); | 
| 42 | } | 
| 43 | _retTree = _t; | 
| 44 | } | 
| 45 |  | 
| 46 | void MDTreeParser::statement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 47 | ANTLR_USE_NAMESPACE(antlr)RefAST statement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 48 |  | 
| 49 | try {      // for error handling | 
| 50 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 51 | _t = ASTNULL; | 
| 52 | switch ( _t->getType()) { | 
| 53 | case ASSIGNEQUAL: | 
| 54 | { | 
| 55 | assignment(_t); | 
| 56 | _t = _retTree; | 
| 57 | break; | 
| 58 | } | 
| 59 | case COMPONENT: | 
| 60 | { | 
| 61 | componentblock(_t); | 
| 62 | _t = _retTree; | 
| 63 | break; | 
| 64 | } | 
| 65 | case MOLECULE: | 
| 66 | { | 
| 67 | moleculeblock(_t); | 
| 68 | _t = _retTree; | 
| 69 | break; | 
| 70 | } | 
| 71 | case ZCONSTRAINT: | 
| 72 | { | 
| 73 | zconstraintblock(_t); | 
| 74 | _t = _retTree; | 
| 75 | break; | 
| 76 | } | 
| 77 | default: | 
| 78 | { | 
| 79 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 80 | } | 
| 81 | } | 
| 82 | } | 
| 83 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 84 | reportError(ex); | 
| 85 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 86 | _t = _t->getNextSibling(); | 
| 87 | } | 
| 88 | _retTree = _t; | 
| 89 | } | 
| 90 |  | 
| 91 | void MDTreeParser::assignment(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 92 | ANTLR_USE_NAMESPACE(antlr)RefAST assignment_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 93 | ANTLR_USE_NAMESPACE(antlr)RefAST id = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 94 |  | 
| 95 | try {      // for error handling | 
| 96 | ANTLR_USE_NAMESPACE(antlr)RefAST __t6 = _t; | 
| 97 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp1_AST_in = _t; | 
| 98 | match(_t,ASSIGNEQUAL); | 
| 99 | _t = _t->getFirstChild(); | 
| 100 | id = _t; | 
| 101 | match(_t,ID); | 
| 102 | _t = _t->getNextSibling(); | 
| 103 | constant(_t,id); | 
| 104 | _t = _retTree; | 
| 105 | _t = __t6; | 
| 106 | _t = _t->getNextSibling(); | 
| 107 | } | 
| 108 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 109 | reportError(ex); | 
| 110 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 111 | _t = _t->getNextSibling(); | 
| 112 | } | 
| 113 | _retTree = _t; | 
| 114 | } | 
| 115 |  | 
| 116 | void MDTreeParser::componentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 117 | ANTLR_USE_NAMESPACE(antlr)RefAST componentblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 118 |  | 
| 119 | try {      // for error handling | 
| 120 | ANTLR_USE_NAMESPACE(antlr)RefAST __t9 = _t; | 
| 121 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp2_AST_in = _t; | 
| 122 | match(_t,COMPONENT); | 
| 123 | _t = _t->getFirstChild(); | 
| 124 | #line 62 "MDTreeParser.g" | 
| 125 | Component* currComponet = new Component(); blockStack.push(currComponet); | 
| 126 | #line 127 "MDTreeParser.cpp" | 
| 127 | { // ( ... )* | 
| 128 | for (;;) { | 
| 129 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 130 | _t = ASTNULL; | 
| 131 | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 132 | assignment(_t); | 
| 133 | _t = _retTree; | 
| 134 | } | 
| 135 | else { | 
| 136 | goto _loop11; | 
| 137 | } | 
| 138 |  | 
| 139 | } | 
| 140 | _loop11:; | 
| 141 | } // ( ... )* | 
| 142 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp3_AST_in = _t; | 
| 143 | match(_t,ENDBLOCK); | 
| 144 | _t = _t->getNextSibling(); | 
| 145 | _t = __t9; | 
| 146 | _t = _t->getNextSibling(); | 
| 147 | #line 64 "MDTreeParser.g" | 
| 148 | blockStack.top()->validate();blockStack.pop(); currConf->addComponent(currComponet); | 
| 149 | #line 150 "MDTreeParser.cpp" | 
| 150 | } | 
| 151 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 152 | reportError(ex); | 
| 153 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 154 | _t = _t->getNextSibling(); | 
| 155 | } | 
| 156 | _retTree = _t; | 
| 157 | } | 
| 158 |  | 
| 159 | void MDTreeParser::moleculeblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 160 | ANTLR_USE_NAMESPACE(antlr)RefAST moleculeblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 161 |  | 
| 162 | try {      // for error handling | 
| 163 | ANTLR_USE_NAMESPACE(antlr)RefAST __t17 = _t; | 
| 164 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp4_AST_in = _t; | 
| 165 | match(_t,MOLECULE); | 
| 166 | _t = _t->getFirstChild(); | 
| 167 | #line 72 "MDTreeParser.g" | 
| 168 | MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp); | 
| 169 | #line 170 "MDTreeParser.cpp" | 
| 170 | { // ( ... )* | 
| 171 | for (;;) { | 
| 172 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 173 | _t = ASTNULL; | 
| 174 | if ((_tokenSet_1.member(_t->getType()))) { | 
| 175 | moleculestatement(_t); | 
| 176 | _t = _retTree; | 
| 177 | } | 
| 178 | else { | 
| 179 | goto _loop19; | 
| 180 | } | 
| 181 |  | 
| 182 | } | 
| 183 | _loop19:; | 
| 184 | } // ( ... )* | 
| 185 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp5_AST_in = _t; | 
| 186 | match(_t,ENDBLOCK); | 
| 187 | _t = _t->getNextSibling(); | 
| 188 | _t = __t17; | 
| 189 | _t = _t->getNextSibling(); | 
| 190 | #line 74 "MDTreeParser.g" | 
| 191 | blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp); | 
| 192 | #line 193 "MDTreeParser.cpp" | 
| 193 | } | 
| 194 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 195 | reportError(ex); | 
| 196 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 197 | _t = _t->getNextSibling(); | 
| 198 | } | 
| 199 | _retTree = _t; | 
| 200 | } | 
| 201 |  | 
| 202 | void MDTreeParser::zconstraintblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 203 | ANTLR_USE_NAMESPACE(antlr)RefAST zconstraintblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 204 |  | 
| 205 | try {      // for error handling | 
| 206 | ANTLR_USE_NAMESPACE(antlr)RefAST __t13 = _t; | 
| 207 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp6_AST_in = _t; | 
| 208 | match(_t,ZCONSTRAINT); | 
| 209 | _t = _t->getFirstChild(); | 
| 210 | #line 67 "MDTreeParser.g" | 
| 211 | ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp); | 
| 212 | #line 213 "MDTreeParser.cpp" | 
| 213 | { // ( ... )* | 
| 214 | for (;;) { | 
| 215 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 216 | _t = ASTNULL; | 
| 217 | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 218 | assignment(_t); | 
| 219 | _t = _retTree; | 
| 220 | } | 
| 221 | else { | 
| 222 | goto _loop15; | 
| 223 | } | 
| 224 |  | 
| 225 | } | 
| 226 | _loop15:; | 
| 227 | } // ( ... )* | 
| 228 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp7_AST_in = _t; | 
| 229 | match(_t,ENDBLOCK); | 
| 230 | _t = _t->getNextSibling(); | 
| 231 | _t = __t13; | 
| 232 | _t = _t->getNextSibling(); | 
| 233 | #line 69 "MDTreeParser.g" | 
| 234 | blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp); | 
| 235 | #line 236 "MDTreeParser.cpp" | 
| 236 | } | 
| 237 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 238 | reportError(ex); | 
| 239 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 240 | _t = _t->getNextSibling(); | 
| 241 | } | 
| 242 | _retTree = _t; | 
| 243 | } | 
| 244 |  | 
| 245 | void MDTreeParser::constant(ANTLR_USE_NAMESPACE(antlr)RefAST _t, | 
| 246 | ANTLR_USE_NAMESPACE(antlr)RefAST id | 
| 247 | ) { | 
| 248 | ANTLR_USE_NAMESPACE(antlr)RefAST constant_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 249 | ANTLR_USE_NAMESPACE(antlr)RefAST str1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 250 | ANTLR_USE_NAMESPACE(antlr)RefAST str2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 251 | #line 47 "MDTreeParser.g" | 
| 252 |  | 
| 253 | int ival; | 
| 254 | RealType dval; | 
| 255 |  | 
| 256 | #line 257 "MDTreeParser.cpp" | 
| 257 |  | 
| 258 | try {      // for error handling | 
| 259 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 260 | _t = ASTNULL; | 
| 261 | switch ( _t->getType()) { | 
| 262 | case NUM_INT: | 
| 263 | case NUM_LONG: | 
| 264 | { | 
| 265 | ival=intConst(_t); | 
| 266 | _t = _retTree; | 
| 267 | #line 52 "MDTreeParser.g" | 
| 268 | blockStack.top()->assign(id->getText(), ival); | 
| 269 | #line 270 "MDTreeParser.cpp" | 
| 270 | break; | 
| 271 | } | 
| 272 | case NUM_FLOAT: | 
| 273 | case NUM_DOUBLE: | 
| 274 | { | 
| 275 | dval=floatConst(_t); | 
| 276 | _t = _retTree; | 
| 277 | #line 53 "MDTreeParser.g" | 
| 278 | blockStack.top()->assign(id->getText(), dval); | 
| 279 | #line 280 "MDTreeParser.cpp" | 
| 280 | break; | 
| 281 | } | 
| 282 | case ID: | 
| 283 | { | 
| 284 | str1 = _t; | 
| 285 | match(_t,ID); | 
| 286 | _t = _t->getNextSibling(); | 
| 287 | #line 54 "MDTreeParser.g" | 
| 288 | blockStack.top()->assign(id->getText(), str1->getText()); | 
| 289 | #line 290 "MDTreeParser.cpp" | 
| 290 | break; | 
| 291 | } | 
| 292 | case StringLiteral: | 
| 293 | { | 
| 294 | str2 = _t; | 
| 295 | match(_t,StringLiteral); | 
| 296 | _t = _t->getNextSibling(); | 
| 297 | #line 55 "MDTreeParser.g" | 
| 298 | std::string s =  str2->getText(); | 
| 299 | s = s.substr(1, s.length()-2); | 
| 300 | blockStack.top()->assign(id->getText(),s); | 
| 301 |  | 
| 302 | #line 303 "MDTreeParser.cpp" | 
| 303 | break; | 
| 304 | } | 
| 305 | default: | 
| 306 | { | 
| 307 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 308 | } | 
| 309 | } | 
| 310 | } | 
| 311 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 312 | reportError(ex); | 
| 313 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 314 | _t = _t->getNextSibling(); | 
| 315 | } | 
| 316 | _retTree = _t; | 
| 317 | } | 
| 318 |  | 
| 319 | int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 320 | #line 242 "MDTreeParser.g" | 
| 321 | int ival; | 
| 322 | #line 323 "MDTreeParser.cpp" | 
| 323 | ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 324 | ANTLR_USE_NAMESPACE(antlr)RefAST i1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 325 | ANTLR_USE_NAMESPACE(antlr)RefAST i2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 326 |  | 
| 327 | try {      // for error handling | 
| 328 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 329 | _t = ASTNULL; | 
| 330 | switch ( _t->getType()) { | 
| 331 | case NUM_INT: | 
| 332 | { | 
| 333 | i1 = _t; | 
| 334 | match(_t,NUM_INT); | 
| 335 | _t = _t->getNextSibling(); | 
| 336 | #line 243 "MDTreeParser.g" | 
| 337 | ival = lexi_cast<int>(i1->getText()); | 
| 338 | #line 339 "MDTreeParser.cpp" | 
| 339 | break; | 
| 340 | } | 
| 341 | case NUM_LONG: | 
| 342 | { | 
| 343 | i2 = _t; | 
| 344 | match(_t,NUM_LONG); | 
| 345 | _t = _t->getNextSibling(); | 
| 346 | #line 244 "MDTreeParser.g" | 
| 347 | ival = lexi_cast<int>(i2->getText()); | 
| 348 | #line 349 "MDTreeParser.cpp" | 
| 349 | break; | 
| 350 | } | 
| 351 | default: | 
| 352 | { | 
| 353 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 354 | } | 
| 355 | } | 
| 356 | } | 
| 357 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 358 | reportError(ex); | 
| 359 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 360 | _t = _t->getNextSibling(); | 
| 361 | } | 
| 362 | _retTree = _t; | 
| 363 | return ival; | 
| 364 | } | 
| 365 |  | 
| 366 | RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 367 | #line 256 "MDTreeParser.g" | 
| 368 | RealType dval; | 
| 369 | #line 370 "MDTreeParser.cpp" | 
| 370 | ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 371 | ANTLR_USE_NAMESPACE(antlr)RefAST d1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 372 | ANTLR_USE_NAMESPACE(antlr)RefAST d2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 373 |  | 
| 374 | try {      // for error handling | 
| 375 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 376 | _t = ASTNULL; | 
| 377 | switch ( _t->getType()) { | 
| 378 | case NUM_FLOAT: | 
| 379 | { | 
| 380 | d1 = _t; | 
| 381 | match(_t,NUM_FLOAT); | 
| 382 | _t = _t->getNextSibling(); | 
| 383 | #line 257 "MDTreeParser.g" | 
| 384 | dval = lexi_cast<RealType>(d1->getText()); | 
| 385 | #line 386 "MDTreeParser.cpp" | 
| 386 | break; | 
| 387 | } | 
| 388 | case NUM_DOUBLE: | 
| 389 | { | 
| 390 | d2 = _t; | 
| 391 | match(_t,NUM_DOUBLE); | 
| 392 | _t = _t->getNextSibling(); | 
| 393 | #line 258 "MDTreeParser.g" | 
| 394 | dval = lexi_cast<RealType>(d2->getText()); | 
| 395 | #line 396 "MDTreeParser.cpp" | 
| 396 | break; | 
| 397 | } | 
| 398 | default: | 
| 399 | { | 
| 400 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 401 | } | 
| 402 | } | 
| 403 | } | 
| 404 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 405 | reportError(ex); | 
| 406 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 407 | _t = _t->getNextSibling(); | 
| 408 | } | 
| 409 | _retTree = _t; | 
| 410 | return dval; | 
| 411 | } | 
| 412 |  | 
| 413 | void MDTreeParser::moleculestatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 414 | ANTLR_USE_NAMESPACE(antlr)RefAST moleculestatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 415 |  | 
| 416 | try {      // for error handling | 
| 417 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 418 | _t = ASTNULL; | 
| 419 | switch ( _t->getType()) { | 
| 420 | case ASSIGNEQUAL: | 
| 421 | { | 
| 422 | assignment(_t); | 
| 423 | _t = _retTree; | 
| 424 | break; | 
| 425 | } | 
| 426 | case ATOM: | 
| 427 | { | 
| 428 | atomblock(_t); | 
| 429 | _t = _retTree; | 
| 430 | break; | 
| 431 | } | 
| 432 | case BOND: | 
| 433 | { | 
| 434 | bondblock(_t); | 
| 435 | _t = _retTree; | 
| 436 | break; | 
| 437 | } | 
| 438 | case BEND: | 
| 439 | { | 
| 440 | bendblock(_t); | 
| 441 | _t = _retTree; | 
| 442 | break; | 
| 443 | } | 
| 444 | case TORSION: | 
| 445 | { | 
| 446 | torsionblock(_t); | 
| 447 | _t = _retTree; | 
| 448 | break; | 
| 449 | } | 
| 450 | case RIGIDBODY: | 
| 451 | { | 
| 452 | rigidbodyblock(_t); | 
| 453 | _t = _retTree; | 
| 454 | break; | 
| 455 | } | 
| 456 | case CUTOFFGROUP: | 
| 457 | { | 
| 458 | cutoffgroupblock(_t); | 
| 459 | _t = _retTree; | 
| 460 | break; | 
| 461 | } | 
| 462 | case FRAGMENT: | 
| 463 | { | 
| 464 | fragmentblock(_t); | 
| 465 | _t = _retTree; | 
| 466 | break; | 
| 467 | } | 
| 468 | default: | 
| 469 | { | 
| 470 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 471 | } | 
| 472 | } | 
| 473 | } | 
| 474 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 475 | reportError(ex); | 
| 476 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 477 | _t = _t->getNextSibling(); | 
| 478 | } | 
| 479 | _retTree = _t; | 
| 480 | } | 
| 481 |  | 
| 482 | void MDTreeParser::atomblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 483 | ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 484 | #line 87 "MDTreeParser.g" | 
| 485 |  | 
| 486 | int index; | 
| 487 |  | 
| 488 | #line 489 "MDTreeParser.cpp" | 
| 489 |  | 
| 490 | try {      // for error handling | 
| 491 | ANTLR_USE_NAMESPACE(antlr)RefAST __t22 = _t; | 
| 492 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp8_AST_in = _t; | 
| 493 | match(_t,ATOM); | 
| 494 | _t = _t->getFirstChild(); | 
| 495 | index=intConst(_t); | 
| 496 | _t = _retTree; | 
| 497 | #line 91 "MDTreeParser.g" | 
| 498 | AtomStamp* currAtomStamp = new AtomStamp(index); blockStack.push(currAtomStamp); | 
| 499 | #line 500 "MDTreeParser.cpp" | 
| 500 | { // ( ... )* | 
| 501 | for (;;) { | 
| 502 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 503 | _t = ASTNULL; | 
| 504 | if ((_t->getType() == POSITION || _t->getType() == ORIENTATION || _t->getType() == ASSIGNEQUAL)) { | 
| 505 | atomstatement(_t); | 
| 506 | _t = _retTree; | 
| 507 | } | 
| 508 | else { | 
| 509 | goto _loop24; | 
| 510 | } | 
| 511 |  | 
| 512 | } | 
| 513 | _loop24:; | 
| 514 | } // ( ... )* | 
| 515 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST_in = _t; | 
| 516 | match(_t,ENDBLOCK); | 
| 517 | _t = _t->getNextSibling(); | 
| 518 | _t = __t22; | 
| 519 | _t = _t->getNextSibling(); | 
| 520 | #line 93 "MDTreeParser.g" | 
| 521 |  | 
| 522 | blockStack.top()->validate(); | 
| 523 | blockStack.pop(); | 
| 524 | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 525 | currMoleculeStamp->addAtomStamp(currAtomStamp); | 
| 526 |  | 
| 527 | #line 528 "MDTreeParser.cpp" | 
| 528 | } | 
| 529 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 530 | reportError(ex); | 
| 531 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 532 | _t = _t->getNextSibling(); | 
| 533 | } | 
| 534 | _retTree = _t; | 
| 535 | } | 
| 536 |  | 
| 537 | void MDTreeParser::bondblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 538 | ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 539 |  | 
| 540 | try {      // for error handling | 
| 541 | ANTLR_USE_NAMESPACE(antlr)RefAST __t29 = _t; | 
| 542 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp10_AST_in = _t; | 
| 543 | match(_t,BOND); | 
| 544 | _t = _t->getFirstChild(); | 
| 545 | #line 113 "MDTreeParser.g" | 
| 546 | BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp); | 
| 547 | #line 548 "MDTreeParser.cpp" | 
| 548 | { // ( ... )* | 
| 549 | for (;;) { | 
| 550 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 551 | _t = ASTNULL; | 
| 552 | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 553 | bondstatement(_t); | 
| 554 | _t = _retTree; | 
| 555 | } | 
| 556 | else { | 
| 557 | goto _loop31; | 
| 558 | } | 
| 559 |  | 
| 560 | } | 
| 561 | _loop31:; | 
| 562 | } // ( ... )* | 
| 563 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp11_AST_in = _t; | 
| 564 | match(_t,ENDBLOCK); | 
| 565 | _t = _t->getNextSibling(); | 
| 566 | _t = __t29; | 
| 567 | _t = _t->getNextSibling(); | 
| 568 | #line 115 "MDTreeParser.g" | 
| 569 |  | 
| 570 | blockStack.pop(); | 
| 571 | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 572 | currMoleculeStamp->addBondStamp(currBondStamp); | 
| 573 |  | 
| 574 | #line 575 "MDTreeParser.cpp" | 
| 575 | } | 
| 576 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 577 | reportError(ex); | 
| 578 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 579 | _t = _t->getNextSibling(); | 
| 580 | } | 
| 581 | _retTree = _t; | 
| 582 | } | 
| 583 |  | 
| 584 | void MDTreeParser::bendblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 585 | ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 586 |  | 
| 587 | try {      // for error handling | 
| 588 | ANTLR_USE_NAMESPACE(antlr)RefAST __t35 = _t; | 
| 589 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp12_AST_in = _t; | 
| 590 | match(_t,BEND); | 
| 591 | _t = _t->getFirstChild(); | 
| 592 | #line 131 "MDTreeParser.g" | 
| 593 | BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp); | 
| 594 | #line 595 "MDTreeParser.cpp" | 
| 595 | { // ( ... )* | 
| 596 | for (;;) { | 
| 597 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 598 | _t = ASTNULL; | 
| 599 | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 600 | bendstatement(_t); | 
| 601 | _t = _retTree; | 
| 602 | } | 
| 603 | else { | 
| 604 | goto _loop37; | 
| 605 | } | 
| 606 |  | 
| 607 | } | 
| 608 | _loop37:; | 
| 609 | } // ( ... )* | 
| 610 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST_in = _t; | 
| 611 | match(_t,ENDBLOCK); | 
| 612 | _t = _t->getNextSibling(); | 
| 613 | _t = __t35; | 
| 614 | _t = _t->getNextSibling(); | 
| 615 | #line 133 "MDTreeParser.g" | 
| 616 |  | 
| 617 | blockStack.top()->validate(); | 
| 618 | blockStack.pop(); | 
| 619 | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 620 | currMoleculeStamp->addBendStamp(currBendStamp); | 
| 621 |  | 
| 622 | #line 623 "MDTreeParser.cpp" | 
| 623 | } | 
| 624 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 625 | reportError(ex); | 
| 626 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 627 | _t = _t->getNextSibling(); | 
| 628 | } | 
| 629 | _retTree = _t; | 
| 630 | } | 
| 631 |  | 
| 632 | void MDTreeParser::torsionblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 633 | ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 634 |  | 
| 635 | try {      // for error handling | 
| 636 | ANTLR_USE_NAMESPACE(antlr)RefAST __t41 = _t; | 
| 637 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST_in = _t; | 
| 638 | match(_t,TORSION); | 
| 639 | _t = _t->getFirstChild(); | 
| 640 | #line 150 "MDTreeParser.g" | 
| 641 | TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp); | 
| 642 | #line 643 "MDTreeParser.cpp" | 
| 643 | { // ( ... )* | 
| 644 | for (;;) { | 
| 645 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 646 | _t = ASTNULL; | 
| 647 | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 648 | torsionstatement(_t); | 
| 649 | _t = _retTree; | 
| 650 | } | 
| 651 | else { | 
| 652 | goto _loop43; | 
| 653 | } | 
| 654 |  | 
| 655 | } | 
| 656 | _loop43:; | 
| 657 | } // ( ... )* | 
| 658 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST_in = _t; | 
| 659 | match(_t,ENDBLOCK); | 
| 660 | _t = _t->getNextSibling(); | 
| 661 | _t = __t41; | 
| 662 | _t = _t->getNextSibling(); | 
| 663 | #line 152 "MDTreeParser.g" | 
| 664 |  | 
| 665 | blockStack.top()->validate(); | 
| 666 | blockStack.pop(); | 
| 667 | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 668 | currMoleculeStamp->addTorsionStamp(currTorsionStamp); | 
| 669 |  | 
| 670 | #line 671 "MDTreeParser.cpp" | 
| 671 | } | 
| 672 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 673 | reportError(ex); | 
| 674 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 675 | _t = _t->getNextSibling(); | 
| 676 | } | 
| 677 | _retTree = _t; | 
| 678 | } | 
| 679 |  | 
| 680 | void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 681 | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 682 | #line 169 "MDTreeParser.g" | 
| 683 |  | 
| 684 | int index; | 
| 685 |  | 
| 686 | #line 687 "MDTreeParser.cpp" | 
| 687 |  | 
| 688 | try {      // for error handling | 
| 689 | ANTLR_USE_NAMESPACE(antlr)RefAST __t47 = _t; | 
| 690 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST_in = _t; | 
| 691 | match(_t,RIGIDBODY); | 
| 692 | _t = _t->getFirstChild(); | 
| 693 | index=intConst(_t); | 
| 694 | _t = _retTree; | 
| 695 | #line 173 "MDTreeParser.g" | 
| 696 | RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp); | 
| 697 | #line 698 "MDTreeParser.cpp" | 
| 698 | { // ( ... )* | 
| 699 | for (;;) { | 
| 700 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 701 | _t = ASTNULL; | 
| 702 | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 703 | rigidbodystatement(_t); | 
| 704 | _t = _retTree; | 
| 705 | } | 
| 706 | else { | 
| 707 | goto _loop49; | 
| 708 | } | 
| 709 |  | 
| 710 | } | 
| 711 | _loop49:; | 
| 712 | } // ( ... )* | 
| 713 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST_in = _t; | 
| 714 | match(_t,ENDBLOCK); | 
| 715 | _t = _t->getNextSibling(); | 
| 716 | _t = __t47; | 
| 717 | _t = _t->getNextSibling(); | 
| 718 | #line 175 "MDTreeParser.g" | 
| 719 |  | 
| 720 | blockStack.top()->validate(); | 
| 721 | blockStack.pop(); | 
| 722 | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 723 | currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp); | 
| 724 |  | 
| 725 | #line 726 "MDTreeParser.cpp" | 
| 726 | } | 
| 727 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 728 | reportError(ex); | 
| 729 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 730 | _t = _t->getNextSibling(); | 
| 731 | } | 
| 732 | _retTree = _t; | 
| 733 | } | 
| 734 |  | 
| 735 | void MDTreeParser::cutoffgroupblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 736 | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 737 |  | 
| 738 | try {      // for error handling | 
| 739 | ANTLR_USE_NAMESPACE(antlr)RefAST __t53 = _t; | 
| 740 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST_in = _t; | 
| 741 | match(_t,CUTOFFGROUP); | 
| 742 | _t = _t->getFirstChild(); | 
| 743 | #line 192 "MDTreeParser.g" | 
| 744 | CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp); | 
| 745 | #line 746 "MDTreeParser.cpp" | 
| 746 | { // ( ... )* | 
| 747 | for (;;) { | 
| 748 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 749 | _t = ASTNULL; | 
| 750 | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 751 | cutoffgroupstatement(_t); | 
| 752 | _t = _retTree; | 
| 753 | } | 
| 754 | else { | 
| 755 | goto _loop55; | 
| 756 | } | 
| 757 |  | 
| 758 | } | 
| 759 | _loop55:; | 
| 760 | } // ( ... )* | 
| 761 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST_in = _t; | 
| 762 | match(_t,ENDBLOCK); | 
| 763 | _t = _t->getNextSibling(); | 
| 764 | _t = __t53; | 
| 765 | _t = _t->getNextSibling(); | 
| 766 | #line 194 "MDTreeParser.g" | 
| 767 |  | 
| 768 | blockStack.top()->validate(); | 
| 769 | blockStack.pop(); | 
| 770 | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 771 | currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp); | 
| 772 |  | 
| 773 | #line 774 "MDTreeParser.cpp" | 
| 774 | } | 
| 775 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 776 | reportError(ex); | 
| 777 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 778 | _t = _t->getNextSibling(); | 
| 779 | } | 
| 780 | _retTree = _t; | 
| 781 | } | 
| 782 |  | 
| 783 | void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 784 | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 785 | #line 211 "MDTreeParser.g" | 
| 786 | int ival; | 
| 787 | #line 788 "MDTreeParser.cpp" | 
| 788 |  | 
| 789 | try {      // for error handling | 
| 790 | ANTLR_USE_NAMESPACE(antlr)RefAST __t59 = _t; | 
| 791 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST_in = _t; | 
| 792 | match(_t,FRAGMENT); | 
| 793 | _t = _t->getFirstChild(); | 
| 794 | ival=intConst(_t); | 
| 795 | _t = _retTree; | 
| 796 | #line 212 "MDTreeParser.g" | 
| 797 | FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp); | 
| 798 | #line 799 "MDTreeParser.cpp" | 
| 799 | { // ( ... )* | 
| 800 | for (;;) { | 
| 801 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 802 | _t = ASTNULL; | 
| 803 | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 804 | fragmentstatement(_t); | 
| 805 | _t = _retTree; | 
| 806 | } | 
| 807 | else { | 
| 808 | goto _loop61; | 
| 809 | } | 
| 810 |  | 
| 811 | } | 
| 812 | _loop61:; | 
| 813 | } // ( ... )* | 
| 814 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST_in = _t; | 
| 815 | match(_t,ENDBLOCK); | 
| 816 | _t = _t->getNextSibling(); | 
| 817 | _t = __t59; | 
| 818 | _t = _t->getNextSibling(); | 
| 819 | #line 214 "MDTreeParser.g" | 
| 820 |  | 
| 821 | blockStack.top()->validate(); | 
| 822 | blockStack.pop(); | 
| 823 | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 824 | currMoleculeStamp->addFragmentStamp(currFragmentStamp); | 
| 825 |  | 
| 826 | #line 827 "MDTreeParser.cpp" | 
| 827 | } | 
| 828 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 829 | reportError(ex); | 
| 830 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 831 | _t = _t->getNextSibling(); | 
| 832 | } | 
| 833 | _retTree = _t; | 
| 834 | } | 
| 835 |  | 
| 836 | void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 837 | ANTLR_USE_NAMESPACE(antlr)RefAST atomstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 838 | #line 101 "MDTreeParser.g" | 
| 839 |  | 
| 840 | vector<RealType> dvec; | 
| 841 | AtomStamp* currAtomStamp =  static_cast<AtomStamp*>(blockStack.top()); | 
| 842 |  | 
| 843 |  | 
| 844 | #line 845 "MDTreeParser.cpp" | 
| 845 |  | 
| 846 | try {      // for error handling | 
| 847 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 848 | _t = ASTNULL; | 
| 849 | switch ( _t->getType()) { | 
| 850 | case ASSIGNEQUAL: | 
| 851 | { | 
| 852 | assignment(_t); | 
| 853 | _t = _retTree; | 
| 854 | break; | 
| 855 | } | 
| 856 | case POSITION: | 
| 857 | { | 
| 858 | ANTLR_USE_NAMESPACE(antlr)RefAST __t26 = _t; | 
| 859 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST_in = _t; | 
| 860 | match(_t,POSITION); | 
| 861 | _t = _t->getFirstChild(); | 
| 862 | dvec=doubleNumberTuple(_t); | 
| 863 | _t = _retTree; | 
| 864 | _t = __t26; | 
| 865 | _t = _t->getNextSibling(); | 
| 866 | #line 108 "MDTreeParser.g" | 
| 867 | currAtomStamp->setPosition(dvec); | 
| 868 | #line 869 "MDTreeParser.cpp" | 
| 869 | break; | 
| 870 | } | 
| 871 | case ORIENTATION: | 
| 872 | { | 
| 873 | ANTLR_USE_NAMESPACE(antlr)RefAST __t27 = _t; | 
| 874 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST_in = _t; | 
| 875 | match(_t,ORIENTATION); | 
| 876 | _t = _t->getFirstChild(); | 
| 877 | dvec=doubleNumberTuple(_t); | 
| 878 | _t = _retTree; | 
| 879 | _t = __t27; | 
| 880 | _t = _t->getNextSibling(); | 
| 881 | #line 109 "MDTreeParser.g" | 
| 882 | currAtomStamp->setOrientation(dvec); | 
| 883 | #line 884 "MDTreeParser.cpp" | 
| 884 | break; | 
| 885 | } | 
| 886 | default: | 
| 887 | { | 
| 888 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 889 | } | 
| 890 | } | 
| 891 | } | 
| 892 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 893 | reportError(ex); | 
| 894 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 895 | _t = _t->getNextSibling(); | 
| 896 | } | 
| 897 | _retTree = _t; | 
| 898 | } | 
| 899 |  | 
| 900 | vector<RealType>  MDTreeParser::doubleNumberTuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 901 | #line 227 "MDTreeParser.g" | 
| 902 | vector<RealType> dvec; | 
| 903 | #line 904 "MDTreeParser.cpp" | 
| 904 | ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumberTuple_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 905 | #line 227 "MDTreeParser.g" | 
| 906 |  | 
| 907 | RealType dval; | 
| 908 |  | 
| 909 | #line 910 "MDTreeParser.cpp" | 
| 910 |  | 
| 911 | try {      // for error handling | 
| 912 | { // ( ... )+ | 
| 913 | int _cnt65=0; | 
| 914 | for (;;) { | 
| 915 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 916 | _t = ASTNULL; | 
| 917 | if (((_t->getType() >= NUM_INT && _t->getType() <= NUM_DOUBLE))) { | 
| 918 | dval=doubleNumber(_t); | 
| 919 | _t = _retTree; | 
| 920 | #line 231 "MDTreeParser.g" | 
| 921 | dvec.push_back(dval); | 
| 922 | #line 923 "MDTreeParser.cpp" | 
| 923 | } | 
| 924 | else { | 
| 925 | if ( _cnt65>=1 ) { goto _loop65; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} | 
| 926 | } | 
| 927 |  | 
| 928 | _cnt65++; | 
| 929 | } | 
| 930 | _loop65:; | 
| 931 | }  // ( ... )+ | 
| 932 | } | 
| 933 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 934 | reportError(ex); | 
| 935 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 936 | _t = _t->getNextSibling(); | 
| 937 | } | 
| 938 | _retTree = _t; | 
| 939 | return dvec; | 
| 940 | } | 
| 941 |  | 
| 942 | void MDTreeParser::bondstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 943 | ANTLR_USE_NAMESPACE(antlr)RefAST bondstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 944 | #line 122 "MDTreeParser.g" | 
| 945 |  | 
| 946 | vector<int> ivec; | 
| 947 | BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top()); | 
| 948 |  | 
| 949 | #line 950 "MDTreeParser.cpp" | 
| 950 |  | 
| 951 | try {      // for error handling | 
| 952 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 953 | _t = ASTNULL; | 
| 954 | switch ( _t->getType()) { | 
| 955 | case ASSIGNEQUAL: | 
| 956 | { | 
| 957 | assignment(_t); | 
| 958 | _t = _retTree; | 
| 959 | break; | 
| 960 | } | 
| 961 | case MEMBERS: | 
| 962 | { | 
| 963 | ANTLR_USE_NAMESPACE(antlr)RefAST __t33 = _t; | 
| 964 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST_in = _t; | 
| 965 | match(_t,MEMBERS); | 
| 966 | _t = _t->getFirstChild(); | 
| 967 | ivec=inttuple(_t); | 
| 968 | _t = _retTree; | 
| 969 | _t = __t33; | 
| 970 | _t = _t->getNextSibling(); | 
| 971 | #line 128 "MDTreeParser.g" | 
| 972 | currBondStamp->setMembers(ivec); | 
| 973 | #line 974 "MDTreeParser.cpp" | 
| 974 | break; | 
| 975 | } | 
| 976 | default: | 
| 977 | { | 
| 978 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 979 | } | 
| 980 | } | 
| 981 | } | 
| 982 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 983 | reportError(ex); | 
| 984 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 985 | _t = _t->getNextSibling(); | 
| 986 | } | 
| 987 | _retTree = _t; | 
| 988 | } | 
| 989 |  | 
| 990 | vector<int>  MDTreeParser::inttuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 991 | #line 234 "MDTreeParser.g" | 
| 992 | vector<int> ivec; | 
| 993 | #line 994 "MDTreeParser.cpp" | 
| 994 | ANTLR_USE_NAMESPACE(antlr)RefAST inttuple_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 995 | #line 234 "MDTreeParser.g" | 
| 996 |  | 
| 997 | int ival; | 
| 998 |  | 
| 999 | #line 1000 "MDTreeParser.cpp" | 
| 1000 |  | 
| 1001 | try {      // for error handling | 
| 1002 | { // ( ... )+ | 
| 1003 | int _cnt68=0; | 
| 1004 | for (;;) { | 
| 1005 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1006 | _t = ASTNULL; | 
| 1007 | if ((_t->getType() == NUM_INT || _t->getType() == NUM_LONG)) { | 
| 1008 | ival=intConst(_t); | 
| 1009 | _t = _retTree; | 
| 1010 | #line 238 "MDTreeParser.g" | 
| 1011 | ivec.push_back(ival); | 
| 1012 | #line 1013 "MDTreeParser.cpp" | 
| 1013 | } | 
| 1014 | else { | 
| 1015 | if ( _cnt68>=1 ) { goto _loop68; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} | 
| 1016 | } | 
| 1017 |  | 
| 1018 | _cnt68++; | 
| 1019 | } | 
| 1020 | _loop68:; | 
| 1021 | }  // ( ... )+ | 
| 1022 | } | 
| 1023 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1024 | reportError(ex); | 
| 1025 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1026 | _t = _t->getNextSibling(); | 
| 1027 | } | 
| 1028 | _retTree = _t; | 
| 1029 | return ivec; | 
| 1030 | } | 
| 1031 |  | 
| 1032 | void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1033 | ANTLR_USE_NAMESPACE(antlr)RefAST bendstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1034 | #line 141 "MDTreeParser.g" | 
| 1035 |  | 
| 1036 | vector<int> ivec; | 
| 1037 | BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top()); | 
| 1038 |  | 
| 1039 | #line 1040 "MDTreeParser.cpp" | 
| 1040 |  | 
| 1041 | try {      // for error handling | 
| 1042 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1043 | _t = ASTNULL; | 
| 1044 | switch ( _t->getType()) { | 
| 1045 | case ASSIGNEQUAL: | 
| 1046 | { | 
| 1047 | assignment(_t); | 
| 1048 | _t = _retTree; | 
| 1049 | break; | 
| 1050 | } | 
| 1051 | case MEMBERS: | 
| 1052 | { | 
| 1053 | ANTLR_USE_NAMESPACE(antlr)RefAST __t39 = _t; | 
| 1054 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST_in = _t; | 
| 1055 | match(_t,MEMBERS); | 
| 1056 | _t = _t->getFirstChild(); | 
| 1057 | ivec=inttuple(_t); | 
| 1058 | _t = _retTree; | 
| 1059 | _t = __t39; | 
| 1060 | _t = _t->getNextSibling(); | 
| 1061 | #line 147 "MDTreeParser.g" | 
| 1062 | currBendStamp->setMembers(ivec); | 
| 1063 | #line 1064 "MDTreeParser.cpp" | 
| 1064 | break; | 
| 1065 | } | 
| 1066 | default: | 
| 1067 | { | 
| 1068 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1069 | } | 
| 1070 | } | 
| 1071 | } | 
| 1072 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1073 | reportError(ex); | 
| 1074 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1075 | _t = _t->getNextSibling(); | 
| 1076 | } | 
| 1077 | _retTree = _t; | 
| 1078 | } | 
| 1079 |  | 
| 1080 | void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1081 | ANTLR_USE_NAMESPACE(antlr)RefAST torsionstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1082 | #line 160 "MDTreeParser.g" | 
| 1083 |  | 
| 1084 | vector<int> ivec; | 
| 1085 | TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top()); | 
| 1086 |  | 
| 1087 | #line 1088 "MDTreeParser.cpp" | 
| 1088 |  | 
| 1089 | try {      // for error handling | 
| 1090 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1091 | _t = ASTNULL; | 
| 1092 | switch ( _t->getType()) { | 
| 1093 | case ASSIGNEQUAL: | 
| 1094 | { | 
| 1095 | assignment(_t); | 
| 1096 | _t = _retTree; | 
| 1097 | break; | 
| 1098 | } | 
| 1099 | case MEMBERS: | 
| 1100 | { | 
| 1101 | ANTLR_USE_NAMESPACE(antlr)RefAST __t45 = _t; | 
| 1102 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST_in = _t; | 
| 1103 | match(_t,MEMBERS); | 
| 1104 | _t = _t->getFirstChild(); | 
| 1105 | ivec=inttuple(_t); | 
| 1106 | _t = _retTree; | 
| 1107 | _t = __t45; | 
| 1108 | _t = _t->getNextSibling(); | 
| 1109 | #line 166 "MDTreeParser.g" | 
| 1110 | currTorsionStamp->setMembers(ivec); | 
| 1111 | #line 1112 "MDTreeParser.cpp" | 
| 1112 | break; | 
| 1113 | } | 
| 1114 | default: | 
| 1115 | { | 
| 1116 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1117 | } | 
| 1118 | } | 
| 1119 | } | 
| 1120 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1121 | reportError(ex); | 
| 1122 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1123 | _t = _t->getNextSibling(); | 
| 1124 | } | 
| 1125 | _retTree = _t; | 
| 1126 | } | 
| 1127 |  | 
| 1128 | void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1129 | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodystatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1130 | #line 183 "MDTreeParser.g" | 
| 1131 |  | 
| 1132 | vector<int> ivec; | 
| 1133 | RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top()); | 
| 1134 |  | 
| 1135 | #line 1136 "MDTreeParser.cpp" | 
| 1136 |  | 
| 1137 | try {      // for error handling | 
| 1138 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1139 | _t = ASTNULL; | 
| 1140 | switch ( _t->getType()) { | 
| 1141 | case ASSIGNEQUAL: | 
| 1142 | { | 
| 1143 | assignment(_t); | 
| 1144 | _t = _retTree; | 
| 1145 | break; | 
| 1146 | } | 
| 1147 | case MEMBERS: | 
| 1148 | { | 
| 1149 | ANTLR_USE_NAMESPACE(antlr)RefAST __t51 = _t; | 
| 1150 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST_in = _t; | 
| 1151 | match(_t,MEMBERS); | 
| 1152 | _t = _t->getFirstChild(); | 
| 1153 | ivec=inttuple(_t); | 
| 1154 | _t = _retTree; | 
| 1155 | _t = __t51; | 
| 1156 | _t = _t->getNextSibling(); | 
| 1157 | #line 189 "MDTreeParser.g" | 
| 1158 | currRigidBodyStamp->setMembers(ivec); | 
| 1159 | #line 1160 "MDTreeParser.cpp" | 
| 1160 | break; | 
| 1161 | } | 
| 1162 | default: | 
| 1163 | { | 
| 1164 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1165 | } | 
| 1166 | } | 
| 1167 | } | 
| 1168 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1169 | reportError(ex); | 
| 1170 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1171 | _t = _t->getNextSibling(); | 
| 1172 | } | 
| 1173 | _retTree = _t; | 
| 1174 | } | 
| 1175 |  | 
| 1176 | void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1177 | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1178 | #line 202 "MDTreeParser.g" | 
| 1179 |  | 
| 1180 | vector<int> ivec; | 
| 1181 | CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top()); | 
| 1182 |  | 
| 1183 | #line 1184 "MDTreeParser.cpp" | 
| 1184 |  | 
| 1185 | try {      // for error handling | 
| 1186 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1187 | _t = ASTNULL; | 
| 1188 | switch ( _t->getType()) { | 
| 1189 | case ASSIGNEQUAL: | 
| 1190 | { | 
| 1191 | assignment(_t); | 
| 1192 | _t = _retTree; | 
| 1193 | break; | 
| 1194 | } | 
| 1195 | case MEMBERS: | 
| 1196 | { | 
| 1197 | ANTLR_USE_NAMESPACE(antlr)RefAST __t57 = _t; | 
| 1198 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST_in = _t; | 
| 1199 | match(_t,MEMBERS); | 
| 1200 | _t = _t->getFirstChild(); | 
| 1201 | ivec=inttuple(_t); | 
| 1202 | _t = _retTree; | 
| 1203 | _t = __t57; | 
| 1204 | _t = _t->getNextSibling(); | 
| 1205 | #line 208 "MDTreeParser.g" | 
| 1206 | currCutoffGroupStamp->setMembers(ivec); | 
| 1207 | #line 1208 "MDTreeParser.cpp" | 
| 1208 | break; | 
| 1209 | } | 
| 1210 | default: | 
| 1211 | { | 
| 1212 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1213 | } | 
| 1214 | } | 
| 1215 | } | 
| 1216 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1217 | reportError(ex); | 
| 1218 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1219 | _t = _t->getNextSibling(); | 
| 1220 | } | 
| 1221 | _retTree = _t; | 
| 1222 | } | 
| 1223 |  | 
| 1224 | void MDTreeParser::fragmentstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1225 | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1226 |  | 
| 1227 | try {      // for error handling | 
| 1228 | assignment(_t); | 
| 1229 | _t = _retTree; | 
| 1230 | } | 
| 1231 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1232 | reportError(ex); | 
| 1233 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1234 | _t = _t->getNextSibling(); | 
| 1235 | } | 
| 1236 | _retTree = _t; | 
| 1237 | } | 
| 1238 |  | 
| 1239 | RealType  MDTreeParser::doubleNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1240 | #line 248 "MDTreeParser.g" | 
| 1241 | RealType dval; | 
| 1242 | #line 1243 "MDTreeParser.cpp" | 
| 1243 | ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumber_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1244 | ANTLR_USE_NAMESPACE(antlr)RefAST ic = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1245 | ANTLR_USE_NAMESPACE(antlr)RefAST fc = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1246 |  | 
| 1247 | try {      // for error handling | 
| 1248 | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1249 | _t = ASTNULL; | 
| 1250 | switch ( _t->getType()) { | 
| 1251 | case NUM_INT: | 
| 1252 | case NUM_LONG: | 
| 1253 | { | 
| 1254 | ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1255 | intConst(_t); | 
| 1256 | _t = _retTree; | 
| 1257 | #line 250 "MDTreeParser.g" | 
| 1258 | dval = lexi_cast<RealType>(ic->getText()); | 
| 1259 | #line 1260 "MDTreeParser.cpp" | 
| 1260 | break; | 
| 1261 | } | 
| 1262 | case NUM_FLOAT: | 
| 1263 | case NUM_DOUBLE: | 
| 1264 | { | 
| 1265 | fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1266 | floatConst(_t); | 
| 1267 | _t = _retTree; | 
| 1268 | #line 251 "MDTreeParser.g" | 
| 1269 | dval = lexi_cast<RealType>(fc->getText()); | 
| 1270 | #line 1271 "MDTreeParser.cpp" | 
| 1271 | break; | 
| 1272 | } | 
| 1273 | default: | 
| 1274 | { | 
| 1275 | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1276 | } | 
| 1277 | } | 
| 1278 | } | 
| 1279 | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1280 | reportError(ex); | 
| 1281 | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1282 | _t = _t->getNextSibling(); | 
| 1283 | } | 
| 1284 | _retTree = _t; | 
| 1285 | return dval; | 
| 1286 | } | 
| 1287 |  | 
| 1288 | void MDTreeParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& ) | 
| 1289 | { | 
| 1290 | } | 
| 1291 | const char* MDTreeParser::tokenNames[] = { | 
| 1292 | "<0>", | 
| 1293 | "EOF", | 
| 1294 | "<2>", | 
| 1295 | "NULL_TREE_LOOKAHEAD", | 
| 1296 | "\"component\"", | 
| 1297 | "\"molecule\"", | 
| 1298 | "\"zconstraint\"", | 
| 1299 | "\"atom\"", | 
| 1300 | "\"bond\"", | 
| 1301 | "\"bend\"", | 
| 1302 | "\"torsion\"", | 
| 1303 | "\"rigidBody\"", | 
| 1304 | "\"cutoffGroup\"", | 
| 1305 | "\"fragment\"", | 
| 1306 | "\"members\"", | 
| 1307 | "\"position\"", | 
| 1308 | "\"orientation\"", | 
| 1309 | "ENDBLOCK", | 
| 1310 | "ID", | 
| 1311 | "ASSIGNEQUAL", | 
| 1312 | "SEMICOLON", | 
| 1313 | "StringLiteral", | 
| 1314 | "LCURLY", | 
| 1315 | "RCURLY", | 
| 1316 | "LBRACKET", | 
| 1317 | "RBRACKET", | 
| 1318 | "LPAREN", | 
| 1319 | "RPAREN", | 
| 1320 | "COMMA", | 
| 1321 | "NUM_INT", | 
| 1322 | "NUM_LONG", | 
| 1323 | "NUM_FLOAT", | 
| 1324 | "NUM_DOUBLE", | 
| 1325 | "DOT", | 
| 1326 | "COLON", | 
| 1327 | "QUESTIONMARK", | 
| 1328 | "Whitespace", | 
| 1329 | "Comment", | 
| 1330 | "CPPComment", | 
| 1331 | "a line directive", | 
| 1332 | "LineDirective", | 
| 1333 | "Space", | 
| 1334 | "CharLiteral", | 
| 1335 | "EndOfLine", | 
| 1336 | "Escape", | 
| 1337 | "Vocabulary", | 
| 1338 | "Digit", | 
| 1339 | "Decimal", | 
| 1340 | "HEX_DIGIT", | 
| 1341 | "EXPONENT", | 
| 1342 | "FLOAT_SUFFIX", | 
| 1343 | 0 | 
| 1344 | }; | 
| 1345 |  | 
| 1346 | const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 524400UL, 0UL, 0UL, 0UL }; | 
| 1347 | // "component" "molecule" "zconstraint" ASSIGNEQUAL | 
| 1348 | const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 1349 | const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 540544UL, 0UL, 0UL, 0UL }; | 
| 1350 | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1351 | // ASSIGNEQUAL | 
| 1352 | const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 1353 |  | 
| 1354 |  |