| 1 | < | /* $ANTLR 2.7.4: "MDParser.g" -> "MDParser.cpp"$ */ | 
| 1 | > | /* $ANTLR 2.7.7 (20120725): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 2 |  | #include "MDParser.hpp" | 
| 3 |  | #include <antlr/NoViableAltException.hpp> | 
| 4 |  | #include <antlr/SemanticException.hpp> | 
| 53 |  | } | 
| 54 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 55 |  | reportError(ex); | 
| 56 | < | consume(); | 
| 57 | < | consumeUntil(_tokenSet_1); | 
| 56 | > | recover(ex,_tokenSet_1); | 
| 57 |  | } | 
| 58 |  | returnAST = mdfile_AST; | 
| 59 |  | } | 
| 93 |  | statement_AST = currentAST.root; | 
| 94 |  | break; | 
| 95 |  | } | 
| 96 | + | case RESTRAINT: | 
| 97 | + | { | 
| 98 | + | restraintblock(); | 
| 99 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 100 | + | statement_AST = currentAST.root; | 
| 101 | + | break; | 
| 102 | + | } | 
| 103 | + | case FLUCQ: | 
| 104 | + | { | 
| 105 | + | flucqblock(); | 
| 106 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 107 | + | statement_AST = currentAST.root; | 
| 108 | + | break; | 
| 109 | + | } | 
| 110 | + | case RNEMD: | 
| 111 | + | { | 
| 112 | + | rnemdblock(); | 
| 113 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 114 | + | statement_AST = currentAST.root; | 
| 115 | + | break; | 
| 116 | + | } | 
| 117 | + | case MINIMIZER: | 
| 118 | + | { | 
| 119 | + | minimizerblock(); | 
| 120 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 121 | + | statement_AST = currentAST.root; | 
| 122 | + | break; | 
| 123 | + | } | 
| 124 |  | default: | 
| 125 |  | { | 
| 126 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 129 |  | } | 
| 130 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 131 |  | reportError(ex); | 
| 132 | < | consume(); | 
| 106 | < | consumeUntil(_tokenSet_2); | 
| 132 | > | recover(ex,_tokenSet_2); | 
| 133 |  | } | 
| 134 |  | returnAST = statement_AST; | 
| 135 |  | } | 
| 155 |  | } | 
| 156 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 157 |  | reportError(ex); | 
| 158 | < | consume(); | 
| 133 | < | consumeUntil(_tokenSet_3); | 
| 158 | > | recover(ex,_tokenSet_3); | 
| 159 |  | } | 
| 160 |  | returnAST = assignment_AST; | 
| 161 |  | } | 
| 188 |  | tmp6_AST = astFactory->create(LT(1)); | 
| 189 |  | astFactory->addASTChild(currentAST, tmp6_AST); | 
| 190 |  | match(RCURLY); | 
| 191 | < | #line 65 "MDParser.g" | 
| 191 | > | #line 74 "MDParser.g" | 
| 192 |  | tmp6_AST->setType(ENDBLOCK); | 
| 193 | < | #line 169 "MDParser.cpp" | 
| 193 | > | #line 194 "MDParser.cpp" | 
| 194 |  | componentblock_AST = currentAST.root; | 
| 195 |  | } | 
| 196 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 197 |  | reportError(ex); | 
| 198 | < | consume(); | 
| 174 | < | consumeUntil(_tokenSet_2); | 
| 198 | > | recover(ex,_tokenSet_2); | 
| 199 |  | } | 
| 200 |  | returnAST = componentblock_AST; | 
| 201 |  | } | 
| 218 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 219 |  | } | 
| 220 |  | else { | 
| 221 | < | goto _loop15; | 
| 221 | > | goto _loop27; | 
| 222 |  | } | 
| 223 |  |  | 
| 224 |  | } | 
| 225 | < | _loop15:; | 
| 225 | > | _loop27:; | 
| 226 |  | } // ( ... )* | 
| 227 |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 228 |  | tmp9_AST = astFactory->create(LT(1)); | 
| 229 |  | astFactory->addASTChild(currentAST, tmp9_AST); | 
| 230 |  | match(RCURLY); | 
| 231 | < | #line 71 "MDParser.g" | 
| 231 | > | #line 92 "MDParser.g" | 
| 232 |  | tmp9_AST->setType(ENDBLOCK); | 
| 233 | < | #line 210 "MDParser.cpp" | 
| 233 | > | #line 234 "MDParser.cpp" | 
| 234 |  | moleculeblock_AST = currentAST.root; | 
| 235 |  | } | 
| 236 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 237 |  | reportError(ex); | 
| 238 | < | consume(); | 
| 215 | < | consumeUntil(_tokenSet_2); | 
| 238 | > | recover(ex,_tokenSet_2); | 
| 239 |  | } | 
| 240 |  | returnAST = moleculeblock_AST; | 
| 241 |  | } | 
| 268 |  | tmp12_AST = astFactory->create(LT(1)); | 
| 269 |  | astFactory->addASTChild(currentAST, tmp12_AST); | 
| 270 |  | match(RCURLY); | 
| 271 | < | #line 68 "MDParser.g" | 
| 271 | > | #line 77 "MDParser.g" | 
| 272 |  | tmp12_AST->setType(ENDBLOCK); | 
| 273 | < | #line 251 "MDParser.cpp" | 
| 273 | > | #line 274 "MDParser.cpp" | 
| 274 |  | zconstraintblock_AST = currentAST.root; | 
| 275 |  | } | 
| 276 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 277 |  | reportError(ex); | 
| 278 | < | consume(); | 
| 256 | < | consumeUntil(_tokenSet_2); | 
| 278 | > | recover(ex,_tokenSet_2); | 
| 279 |  | } | 
| 280 |  | returnAST = zconstraintblock_AST; | 
| 281 | + | } | 
| 282 | + |  | 
| 283 | + | void MDParser::restraintblock() { | 
| 284 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 285 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 286 | + | ANTLR_USE_NAMESPACE(antlr)RefAST restraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 287 | + |  | 
| 288 | + | try {      // for error handling | 
| 289 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 290 | + | tmp13_AST = astFactory->create(LT(1)); | 
| 291 | + | astFactory->makeASTRoot(currentAST, tmp13_AST); | 
| 292 | + | match(RESTRAINT); | 
| 293 | + | match(LCURLY); | 
| 294 | + | { // ( ... )* | 
| 295 | + | for (;;) { | 
| 296 | + | if ((LA(1) == ID)) { | 
| 297 | + | assignment(); | 
| 298 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 299 | + | } | 
| 300 | + | else { | 
| 301 | + | goto _loop15; | 
| 302 | + | } | 
| 303 | + |  | 
| 304 | + | } | 
| 305 | + | _loop15:; | 
| 306 | + | } // ( ... )* | 
| 307 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 308 | + | tmp15_AST = astFactory->create(LT(1)); | 
| 309 | + | astFactory->addASTChild(currentAST, tmp15_AST); | 
| 310 | + | match(RCURLY); | 
| 311 | + | #line 80 "MDParser.g" | 
| 312 | + | tmp15_AST->setType(ENDBLOCK); | 
| 313 | + | #line 314 "MDParser.cpp" | 
| 314 | + | restraintblock_AST = currentAST.root; | 
| 315 | + | } | 
| 316 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 317 | + | reportError(ex); | 
| 318 | + | recover(ex,_tokenSet_2); | 
| 319 | + | } | 
| 320 | + | returnAST = restraintblock_AST; | 
| 321 | + | } | 
| 322 | + |  | 
| 323 | + | void MDParser::flucqblock() { | 
| 324 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 325 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 326 | + | ANTLR_USE_NAMESPACE(antlr)RefAST flucqblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 327 | + |  | 
| 328 | + | try {      // for error handling | 
| 329 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 330 | + | tmp16_AST = astFactory->create(LT(1)); | 
| 331 | + | astFactory->makeASTRoot(currentAST, tmp16_AST); | 
| 332 | + | match(FLUCQ); | 
| 333 | + | match(LCURLY); | 
| 334 | + | { // ( ... )* | 
| 335 | + | for (;;) { | 
| 336 | + | if ((LA(1) == ID)) { | 
| 337 | + | assignment(); | 
| 338 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 339 | + | } | 
| 340 | + | else { | 
| 341 | + | goto _loop18; | 
| 342 | + | } | 
| 343 | + |  | 
| 344 | + | } | 
| 345 | + | _loop18:; | 
| 346 | + | } // ( ... )* | 
| 347 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 348 | + | tmp18_AST = astFactory->create(LT(1)); | 
| 349 | + | astFactory->addASTChild(currentAST, tmp18_AST); | 
| 350 | + | match(RCURLY); | 
| 351 | + | #line 83 "MDParser.g" | 
| 352 | + | tmp18_AST->setType(ENDBLOCK); | 
| 353 | + | #line 354 "MDParser.cpp" | 
| 354 | + | flucqblock_AST = currentAST.root; | 
| 355 | + | } | 
| 356 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 357 | + | reportError(ex); | 
| 358 | + | recover(ex,_tokenSet_2); | 
| 359 | + | } | 
| 360 | + | returnAST = flucqblock_AST; | 
| 361 | + | } | 
| 362 | + |  | 
| 363 | + | void MDParser::rnemdblock() { | 
| 364 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 365 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 366 | + | ANTLR_USE_NAMESPACE(antlr)RefAST rnemdblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 367 | + |  | 
| 368 | + | try {      // for error handling | 
| 369 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 370 | + | tmp19_AST = astFactory->create(LT(1)); | 
| 371 | + | astFactory->makeASTRoot(currentAST, tmp19_AST); | 
| 372 | + | match(RNEMD); | 
| 373 | + | match(LCURLY); | 
| 374 | + | { // ( ... )* | 
| 375 | + | for (;;) { | 
| 376 | + | if ((LA(1) == ID)) { | 
| 377 | + | assignment(); | 
| 378 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 379 | + | } | 
| 380 | + | else { | 
| 381 | + | goto _loop21; | 
| 382 | + | } | 
| 383 | + |  | 
| 384 | + | } | 
| 385 | + | _loop21:; | 
| 386 | + | } // ( ... )* | 
| 387 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 388 | + | tmp21_AST = astFactory->create(LT(1)); | 
| 389 | + | astFactory->addASTChild(currentAST, tmp21_AST); | 
| 390 | + | match(RCURLY); | 
| 391 | + | #line 86 "MDParser.g" | 
| 392 | + | tmp21_AST->setType(ENDBLOCK); | 
| 393 | + | #line 394 "MDParser.cpp" | 
| 394 | + | rnemdblock_AST = currentAST.root; | 
| 395 | + | } | 
| 396 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 397 | + | reportError(ex); | 
| 398 | + | recover(ex,_tokenSet_2); | 
| 399 | + | } | 
| 400 | + | returnAST = rnemdblock_AST; | 
| 401 | + | } | 
| 402 | + |  | 
| 403 | + | void MDParser::minimizerblock() { | 
| 404 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 405 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 406 | + | ANTLR_USE_NAMESPACE(antlr)RefAST minimizerblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 407 | + |  | 
| 408 | + | try {      // for error handling | 
| 409 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 410 | + | tmp22_AST = astFactory->create(LT(1)); | 
| 411 | + | astFactory->makeASTRoot(currentAST, tmp22_AST); | 
| 412 | + | match(MINIMIZER); | 
| 413 | + | match(LCURLY); | 
| 414 | + | { // ( ... )* | 
| 415 | + | for (;;) { | 
| 416 | + | if ((LA(1) == ID)) { | 
| 417 | + | assignment(); | 
| 418 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 419 | + | } | 
| 420 | + | else { | 
| 421 | + | goto _loop24; | 
| 422 | + | } | 
| 423 | + |  | 
| 424 | + | } | 
| 425 | + | _loop24:; | 
| 426 | + | } // ( ... )* | 
| 427 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 428 | + | tmp24_AST = astFactory->create(LT(1)); | 
| 429 | + | astFactory->addASTChild(currentAST, tmp24_AST); | 
| 430 | + | match(RCURLY); | 
| 431 | + | #line 89 "MDParser.g" | 
| 432 | + | tmp24_AST->setType(ENDBLOCK); | 
| 433 | + | #line 434 "MDParser.cpp" | 
| 434 | + | minimizerblock_AST = currentAST.root; | 
| 435 | + | } | 
| 436 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 437 | + | reportError(ex); | 
| 438 | + | recover(ex,_tokenSet_2); | 
| 439 | + | } | 
| 440 | + | returnAST = minimizerblock_AST; | 
| 441 |  | } | 
| 442 |  |  | 
| 443 |  | void MDParser::constant() { | 
| 463 |  | constant_AST = currentAST.root; | 
| 464 |  | break; | 
| 465 |  | } | 
| 466 | + | case LPAREN: | 
| 467 | + | { | 
| 468 | + | vectorConst(); | 
| 469 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 470 | + | constant_AST = currentAST.root; | 
| 471 | + | break; | 
| 472 | + | } | 
| 473 |  | case ID: | 
| 474 |  | { | 
| 475 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 476 | < | tmp13_AST = astFactory->create(LT(1)); | 
| 477 | < | astFactory->addASTChild(currentAST, tmp13_AST); | 
| 475 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 476 | > | tmp25_AST = astFactory->create(LT(1)); | 
| 477 | > | astFactory->addASTChild(currentAST, tmp25_AST); | 
| 478 |  | match(ID); | 
| 479 |  | constant_AST = currentAST.root; | 
| 480 |  | break; | 
| 481 |  | } | 
| 482 |  | case StringLiteral: | 
| 483 |  | { | 
| 484 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 485 | < | tmp14_AST = astFactory->create(LT(1)); | 
| 486 | < | astFactory->addASTChild(currentAST, tmp14_AST); | 
| 484 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 485 | > | tmp26_AST = astFactory->create(LT(1)); | 
| 486 | > | astFactory->addASTChild(currentAST, tmp26_AST); | 
| 487 |  | match(StringLiteral); | 
| 488 |  | constant_AST = currentAST.root; | 
| 489 |  | break; | 
| 496 |  | } | 
| 497 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 498 |  | reportError(ex); | 
| 499 | < | consume(); | 
| 311 | < | consumeUntil(_tokenSet_5); | 
| 499 | > | recover(ex,_tokenSet_5); | 
| 500 |  | } | 
| 501 |  | returnAST = constant_AST; | 
| 502 |  | } | 
| 510 |  | switch ( LA(1)) { | 
| 511 |  | case NUM_INT: | 
| 512 |  | { | 
| 513 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 514 | < | tmp15_AST = astFactory->create(LT(1)); | 
| 515 | < | astFactory->addASTChild(currentAST, tmp15_AST); | 
| 513 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 514 | > | tmp27_AST = astFactory->create(LT(1)); | 
| 515 | > | astFactory->addASTChild(currentAST, tmp27_AST); | 
| 516 |  | match(NUM_INT); | 
| 517 |  | intConst_AST = currentAST.root; | 
| 518 |  | break; | 
| 519 |  | } | 
| 520 |  | case NUM_LONG: | 
| 521 |  | { | 
| 522 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 523 | < | tmp16_AST = astFactory->create(LT(1)); | 
| 524 | < | astFactory->addASTChild(currentAST, tmp16_AST); | 
| 522 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 523 | > | tmp28_AST = astFactory->create(LT(1)); | 
| 524 | > | astFactory->addASTChild(currentAST, tmp28_AST); | 
| 525 |  | match(NUM_LONG); | 
| 526 |  | intConst_AST = currentAST.root; | 
| 527 |  | break; | 
| 534 |  | } | 
| 535 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 536 |  | reportError(ex); | 
| 537 | < | consume(); | 
| 350 | < | consumeUntil(_tokenSet_6); | 
| 537 | > | recover(ex,_tokenSet_6); | 
| 538 |  | } | 
| 539 |  | returnAST = intConst_AST; | 
| 540 |  | } | 
| 548 |  | switch ( LA(1)) { | 
| 549 |  | case NUM_FLOAT: | 
| 550 |  | { | 
| 551 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 552 | < | tmp17_AST = astFactory->create(LT(1)); | 
| 553 | < | astFactory->addASTChild(currentAST, tmp17_AST); | 
| 551 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 552 | > | tmp29_AST = astFactory->create(LT(1)); | 
| 553 | > | astFactory->addASTChild(currentAST, tmp29_AST); | 
| 554 |  | match(NUM_FLOAT); | 
| 555 |  | floatConst_AST = currentAST.root; | 
| 556 |  | break; | 
| 557 |  | } | 
| 558 |  | case NUM_DOUBLE: | 
| 559 |  | { | 
| 560 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 561 | < | tmp18_AST = astFactory->create(LT(1)); | 
| 562 | < | astFactory->addASTChild(currentAST, tmp18_AST); | 
| 560 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 561 | > | tmp30_AST = astFactory->create(LT(1)); | 
| 562 | > | astFactory->addASTChild(currentAST, tmp30_AST); | 
| 563 |  | match(NUM_DOUBLE); | 
| 564 |  | floatConst_AST = currentAST.root; | 
| 565 |  | break; | 
| 572 |  | } | 
| 573 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 574 |  | reportError(ex); | 
| 575 | < | consume(); | 
| 389 | < | consumeUntil(_tokenSet_7); | 
| 575 | > | recover(ex,_tokenSet_7); | 
| 576 |  | } | 
| 577 |  | returnAST = floatConst_AST; | 
| 578 |  | } | 
| 579 |  |  | 
| 580 | + | void MDParser::vectorConst() { | 
| 581 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 582 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 583 | + | ANTLR_USE_NAMESPACE(antlr)RefAST vectorConst_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 584 | + |  | 
| 585 | + | try {      // for error handling | 
| 586 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 587 | + | tmp31_AST = astFactory->create(LT(1)); | 
| 588 | + | astFactory->makeASTRoot(currentAST, tmp31_AST); | 
| 589 | + | match(LPAREN); | 
| 590 | + | doubleNumber(); | 
| 591 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 592 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 593 | + | tmp32_AST = astFactory->create(LT(1)); | 
| 594 | + | astFactory->addASTChild(currentAST, tmp32_AST); | 
| 595 | + | match(COMMA); | 
| 596 | + | doubleNumber(); | 
| 597 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 598 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 599 | + | tmp33_AST = astFactory->create(LT(1)); | 
| 600 | + | astFactory->addASTChild(currentAST, tmp33_AST); | 
| 601 | + | match(COMMA); | 
| 602 | + | doubleNumber(); | 
| 603 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 604 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 605 | + | tmp34_AST = astFactory->create(LT(1)); | 
| 606 | + | astFactory->addASTChild(currentAST, tmp34_AST); | 
| 607 | + | match(RPAREN); | 
| 608 | + | vectorConst_AST = currentAST.root; | 
| 609 | + | } | 
| 610 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 611 | + | reportError(ex); | 
| 612 | + | recover(ex,_tokenSet_5); | 
| 613 | + | } | 
| 614 | + | returnAST = vectorConst_AST; | 
| 615 | + | } | 
| 616 | + |  | 
| 617 |  | void MDParser::moleculestatement() { | 
| 618 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 619 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 656 |  | moleculestatement_AST = currentAST.root; | 
| 657 |  | break; | 
| 658 |  | } | 
| 659 | + | case INVERSION: | 
| 660 | + | { | 
| 661 | + | inversionblock(); | 
| 662 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 663 | + | moleculestatement_AST = currentAST.root; | 
| 664 | + | break; | 
| 665 | + | } | 
| 666 |  | case RIGIDBODY: | 
| 667 |  | { | 
| 668 |  | rigidbodyblock(); | 
| 692 |  | } | 
| 693 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 694 |  | reportError(ex); | 
| 695 | < | consume(); | 
| 466 | < | consumeUntil(_tokenSet_8); | 
| 695 | > | recover(ex,_tokenSet_8); | 
| 696 |  | } | 
| 697 |  | returnAST = moleculestatement_AST; | 
| 698 |  | } | 
| 703 |  | ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 704 |  |  | 
| 705 |  | try {      // for error handling | 
| 706 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 707 | < | tmp19_AST = astFactory->create(LT(1)); | 
| 708 | < | astFactory->makeASTRoot(currentAST, tmp19_AST); | 
| 706 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp35_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 707 | > | tmp35_AST = astFactory->create(LT(1)); | 
| 708 | > | astFactory->makeASTRoot(currentAST, tmp35_AST); | 
| 709 |  | match(ATOM); | 
| 710 |  | match(LBRACKET); | 
| 711 |  | intConst(); | 
| 719 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 720 |  | } | 
| 721 |  | else { | 
| 722 | < | goto _loop19; | 
| 722 | > | goto _loop31; | 
| 723 |  | } | 
| 724 |  |  | 
| 725 |  | } | 
| 726 | < | _loop19:; | 
| 726 | > | _loop31:; | 
| 727 |  | } // ( ... )* | 
| 728 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 729 | < | tmp23_AST = astFactory->create(LT(1)); | 
| 730 | < | astFactory->addASTChild(currentAST, tmp23_AST); | 
| 728 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 729 | > | tmp39_AST = astFactory->create(LT(1)); | 
| 730 | > | astFactory->addASTChild(currentAST, tmp39_AST); | 
| 731 |  | match(RCURLY); | 
| 732 | < | #line 84 "MDParser.g" | 
| 733 | < | tmp23_AST->setType(ENDBLOCK); | 
| 734 | < | #line 506 "MDParser.cpp" | 
| 732 | > | #line 106 "MDParser.g" | 
| 733 | > | tmp39_AST->setType(ENDBLOCK); | 
| 734 | > | #line 735 "MDParser.cpp" | 
| 735 |  | atomblock_AST = currentAST.root; | 
| 736 |  | } | 
| 737 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 738 |  | reportError(ex); | 
| 739 | < | consume(); | 
| 511 | < | consumeUntil(_tokenSet_8); | 
| 739 | > | recover(ex,_tokenSet_8); | 
| 740 |  | } | 
| 741 |  | returnAST = atomblock_AST; | 
| 742 |  | } | 
| 747 |  | ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 748 |  |  | 
| 749 |  | try {      // for error handling | 
| 750 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 751 | < | tmp24_AST = astFactory->create(LT(1)); | 
| 752 | < | astFactory->makeASTRoot(currentAST, tmp24_AST); | 
| 750 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 751 | > | tmp40_AST = astFactory->create(LT(1)); | 
| 752 | > | astFactory->makeASTRoot(currentAST, tmp40_AST); | 
| 753 |  | match(BOND); | 
| 754 |  | { | 
| 755 |  | switch ( LA(1)) { | 
| 778 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 779 |  | } | 
| 780 |  | else { | 
| 781 | < | goto _loop24; | 
| 781 | > | goto _loop36; | 
| 782 |  | } | 
| 783 |  |  | 
| 784 |  | } | 
| 785 | < | _loop24:; | 
| 785 | > | _loop36:; | 
| 786 |  | } // ( ... )* | 
| 787 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 788 | < | tmp28_AST = astFactory->create(LT(1)); | 
| 789 | < | astFactory->addASTChild(currentAST, tmp28_AST); | 
| 787 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 788 | > | tmp44_AST = astFactory->create(LT(1)); | 
| 789 | > | astFactory->addASTChild(currentAST, tmp44_AST); | 
| 790 |  | match(RCURLY); | 
| 791 | < | #line 93 "MDParser.g" | 
| 792 | < | tmp28_AST->setType(ENDBLOCK); | 
| 793 | < | #line 566 "MDParser.cpp" | 
| 791 | > | #line 115 "MDParser.g" | 
| 792 | > | tmp44_AST->setType(ENDBLOCK); | 
| 793 | > | #line 794 "MDParser.cpp" | 
| 794 |  | bondblock_AST = currentAST.root; | 
| 795 |  | } | 
| 796 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 797 |  | reportError(ex); | 
| 798 | < | consume(); | 
| 571 | < | consumeUntil(_tokenSet_8); | 
| 798 | > | recover(ex,_tokenSet_8); | 
| 799 |  | } | 
| 800 |  | returnAST = bondblock_AST; | 
| 801 |  | } | 
| 806 |  | ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 807 |  |  | 
| 808 |  | try {      // for error handling | 
| 809 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 810 | < | tmp29_AST = astFactory->create(LT(1)); | 
| 811 | < | astFactory->makeASTRoot(currentAST, tmp29_AST); | 
| 809 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp45_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 810 | > | tmp45_AST = astFactory->create(LT(1)); | 
| 811 | > | astFactory->makeASTRoot(currentAST, tmp45_AST); | 
| 812 |  | match(BEND); | 
| 813 |  | { | 
| 814 |  | switch ( LA(1)) { | 
| 837 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 838 |  | } | 
| 839 |  | else { | 
| 840 | < | goto _loop29; | 
| 840 | > | goto _loop41; | 
| 841 |  | } | 
| 842 |  |  | 
| 843 |  | } | 
| 844 | < | _loop29:; | 
| 844 | > | _loop41:; | 
| 845 |  | } // ( ... )* | 
| 846 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 847 | < | tmp33_AST = astFactory->create(LT(1)); | 
| 848 | < | astFactory->addASTChild(currentAST, tmp33_AST); | 
| 846 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 847 | > | tmp49_AST = astFactory->create(LT(1)); | 
| 848 | > | astFactory->addASTChild(currentAST, tmp49_AST); | 
| 849 |  | match(RCURLY); | 
| 850 | < | #line 100 "MDParser.g" | 
| 851 | < | tmp33_AST->setType(ENDBLOCK); | 
| 852 | < | #line 626 "MDParser.cpp" | 
| 850 | > | #line 122 "MDParser.g" | 
| 851 | > | tmp49_AST->setType(ENDBLOCK); | 
| 852 | > | #line 853 "MDParser.cpp" | 
| 853 |  | bendblock_AST = currentAST.root; | 
| 854 |  | } | 
| 855 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 856 |  | reportError(ex); | 
| 857 | < | consume(); | 
| 631 | < | consumeUntil(_tokenSet_8); | 
| 857 | > | recover(ex,_tokenSet_8); | 
| 858 |  | } | 
| 859 |  | returnAST = bendblock_AST; | 
| 860 |  | } | 
| 865 |  | ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 866 |  |  | 
| 867 |  | try {      // for error handling | 
| 868 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 869 | < | tmp34_AST = astFactory->create(LT(1)); | 
| 870 | < | astFactory->makeASTRoot(currentAST, tmp34_AST); | 
| 868 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp50_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 869 | > | tmp50_AST = astFactory->create(LT(1)); | 
| 870 | > | astFactory->makeASTRoot(currentAST, tmp50_AST); | 
| 871 |  | match(TORSION); | 
| 872 |  | { | 
| 873 |  | switch ( LA(1)) { | 
| 896 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 897 |  | } | 
| 898 |  | else { | 
| 899 | < | goto _loop34; | 
| 899 | > | goto _loop46; | 
| 900 |  | } | 
| 901 |  |  | 
| 902 |  | } | 
| 903 | < | _loop34:; | 
| 903 | > | _loop46:; | 
| 904 |  | } // ( ... )* | 
| 905 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 906 | < | tmp38_AST = astFactory->create(LT(1)); | 
| 907 | < | astFactory->addASTChild(currentAST, tmp38_AST); | 
| 905 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 906 | > | tmp54_AST = astFactory->create(LT(1)); | 
| 907 | > | astFactory->addASTChild(currentAST, tmp54_AST); | 
| 908 |  | match(RCURLY); | 
| 909 | < | #line 107 "MDParser.g" | 
| 910 | < | tmp38_AST->setType(ENDBLOCK); | 
| 911 | < | #line 686 "MDParser.cpp" | 
| 909 | > | #line 129 "MDParser.g" | 
| 910 | > | tmp54_AST->setType(ENDBLOCK); | 
| 911 | > | #line 912 "MDParser.cpp" | 
| 912 |  | torsionblock_AST = currentAST.root; | 
| 913 |  | } | 
| 914 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 915 |  | reportError(ex); | 
| 916 | < | consume(); | 
| 691 | < | consumeUntil(_tokenSet_8); | 
| 916 | > | recover(ex,_tokenSet_8); | 
| 917 |  | } | 
| 918 |  | returnAST = torsionblock_AST; | 
| 919 |  | } | 
| 920 |  |  | 
| 921 | + | void MDParser::inversionblock() { | 
| 922 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 923 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 924 | + | ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 925 | + |  | 
| 926 | + | try {      // for error handling | 
| 927 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp55_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 928 | + | tmp55_AST = astFactory->create(LT(1)); | 
| 929 | + | astFactory->makeASTRoot(currentAST, tmp55_AST); | 
| 930 | + | match(INVERSION); | 
| 931 | + | { | 
| 932 | + | switch ( LA(1)) { | 
| 933 | + | case LBRACKET: | 
| 934 | + | { | 
| 935 | + | match(LBRACKET); | 
| 936 | + | intConst(); | 
| 937 | + | match(RBRACKET); | 
| 938 | + | break; | 
| 939 | + | } | 
| 940 | + | case LCURLY: | 
| 941 | + | { | 
| 942 | + | break; | 
| 943 | + | } | 
| 944 | + | default: | 
| 945 | + | { | 
| 946 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 947 | + | } | 
| 948 | + | } | 
| 949 | + | } | 
| 950 | + | match(LCURLY); | 
| 951 | + | { // ( ... )* | 
| 952 | + | for (;;) { | 
| 953 | + | if ((LA(1) == CENTER || LA(1) == ID)) { | 
| 954 | + | inversionstatement(); | 
| 955 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 956 | + | } | 
| 957 | + | else { | 
| 958 | + | goto _loop51; | 
| 959 | + | } | 
| 960 | + |  | 
| 961 | + | } | 
| 962 | + | _loop51:; | 
| 963 | + | } // ( ... )* | 
| 964 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp59_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 965 | + | tmp59_AST = astFactory->create(LT(1)); | 
| 966 | + | astFactory->addASTChild(currentAST, tmp59_AST); | 
| 967 | + | match(RCURLY); | 
| 968 | + | #line 136 "MDParser.g" | 
| 969 | + | tmp59_AST->setType(ENDBLOCK); | 
| 970 | + | #line 971 "MDParser.cpp" | 
| 971 | + | inversionblock_AST = currentAST.root; | 
| 972 | + | } | 
| 973 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 974 | + | reportError(ex); | 
| 975 | + | recover(ex,_tokenSet_8); | 
| 976 | + | } | 
| 977 | + | returnAST = inversionblock_AST; | 
| 978 | + | } | 
| 979 | + |  | 
| 980 |  | void MDParser::rigidbodyblock() { | 
| 981 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 982 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 983 |  | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 984 |  |  | 
| 985 |  | try {      // for error handling | 
| 986 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 987 | < | tmp39_AST = astFactory->create(LT(1)); | 
| 988 | < | astFactory->makeASTRoot(currentAST, tmp39_AST); | 
| 986 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp60_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 987 | > | tmp60_AST = astFactory->create(LT(1)); | 
| 988 | > | astFactory->makeASTRoot(currentAST, tmp60_AST); | 
| 989 |  | match(RIGIDBODY); | 
| 990 |  | match(LBRACKET); | 
| 991 |  | intConst(); | 
| 999 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1000 |  | } | 
| 1001 |  | else { | 
| 1002 | < | goto _loop43; | 
| 1002 | > | goto _loop55; | 
| 1003 |  | } | 
| 1004 |  |  | 
| 1005 |  | } | 
| 1006 | < | _loop43:; | 
| 1007 | < | } // ( ... )* | 
| 1008 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1009 | < | tmp43_AST = astFactory->create(LT(1)); | 
| 1010 | < | astFactory->addASTChild(currentAST, tmp43_AST); | 
| 1006 | > | _loop55:; | 
| 1007 | > | } // ( ... )* | 
| 1008 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp64_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1009 | > | tmp64_AST = astFactory->create(LT(1)); | 
| 1010 | > | astFactory->addASTChild(currentAST, tmp64_AST); | 
| 1011 |  | match(RCURLY); | 
| 1012 | < | #line 121 "MDParser.g" | 
| 1013 | < | tmp43_AST->setType(ENDBLOCK); | 
| 1014 | < | #line 731 "MDParser.cpp" | 
| 1012 | > | #line 143 "MDParser.g" | 
| 1013 | > | tmp64_AST->setType(ENDBLOCK); | 
| 1014 | > | #line 1015 "MDParser.cpp" | 
| 1015 |  | rigidbodyblock_AST = currentAST.root; | 
| 1016 |  | } | 
| 1017 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1018 |  | reportError(ex); | 
| 1019 | < | consume(); | 
| 736 | < | consumeUntil(_tokenSet_8); | 
| 1019 | > | recover(ex,_tokenSet_8); | 
| 1020 |  | } | 
| 1021 |  | returnAST = rigidbodyblock_AST; | 
| 1022 |  | } | 
| 1027 |  | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1028 |  |  | 
| 1029 |  | try {      // for error handling | 
| 1030 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1031 | < | tmp44_AST = astFactory->create(LT(1)); | 
| 1032 | < | astFactory->makeASTRoot(currentAST, tmp44_AST); | 
| 1030 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp65_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1031 | > | tmp65_AST = astFactory->create(LT(1)); | 
| 1032 | > | astFactory->makeASTRoot(currentAST, tmp65_AST); | 
| 1033 |  | match(CUTOFFGROUP); | 
| 1034 |  | { | 
| 1035 |  | switch ( LA(1)) { | 
| 1058 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1059 |  | } | 
| 1060 |  | else { | 
| 1061 | < | goto _loop48; | 
| 1061 | > | goto _loop60; | 
| 1062 |  | } | 
| 1063 |  |  | 
| 1064 |  | } | 
| 1065 | < | _loop48:; | 
| 1065 | > | _loop60:; | 
| 1066 |  | } // ( ... )* | 
| 1067 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1068 | < | tmp48_AST = astFactory->create(LT(1)); | 
| 1069 | < | astFactory->addASTChild(currentAST, tmp48_AST); | 
| 1067 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp69_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1068 | > | tmp69_AST = astFactory->create(LT(1)); | 
| 1069 | > | astFactory->addASTChild(currentAST, tmp69_AST); | 
| 1070 |  | match(RCURLY); | 
| 1071 | < | #line 128 "MDParser.g" | 
| 1072 | < | tmp48_AST->setType(ENDBLOCK); | 
| 1073 | < | #line 791 "MDParser.cpp" | 
| 1071 | > | #line 150 "MDParser.g" | 
| 1072 | > | tmp69_AST->setType(ENDBLOCK); | 
| 1073 | > | #line 1074 "MDParser.cpp" | 
| 1074 |  | cutoffgroupblock_AST = currentAST.root; | 
| 1075 |  | } | 
| 1076 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1077 |  | reportError(ex); | 
| 1078 | < | consume(); | 
| 796 | < | consumeUntil(_tokenSet_8); | 
| 1078 | > | recover(ex,_tokenSet_8); | 
| 1079 |  | } | 
| 1080 |  | returnAST = cutoffgroupblock_AST; | 
| 1081 |  | } | 
| 1086 |  | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1087 |  |  | 
| 1088 |  | try {      // for error handling | 
| 1089 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1090 | < | tmp49_AST = astFactory->create(LT(1)); | 
| 1091 | < | astFactory->makeASTRoot(currentAST, tmp49_AST); | 
| 1089 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp70_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1090 | > | tmp70_AST = astFactory->create(LT(1)); | 
| 1091 | > | astFactory->makeASTRoot(currentAST, tmp70_AST); | 
| 1092 |  | match(FRAGMENT); | 
| 1093 |  | match(LBRACKET); | 
| 1094 |  | intConst(); | 
| 1102 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1103 |  | } | 
| 1104 |  | else { | 
| 1105 | < | goto _loop52; | 
| 1105 | > | goto _loop64; | 
| 1106 |  | } | 
| 1107 |  |  | 
| 1108 |  | } | 
| 1109 | < | _loop52:; | 
| 1109 | > | _loop64:; | 
| 1110 |  | } // ( ... )* | 
| 1111 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1112 | < | tmp53_AST = astFactory->create(LT(1)); | 
| 1113 | < | astFactory->addASTChild(currentAST, tmp53_AST); | 
| 1111 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp74_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1112 | > | tmp74_AST = astFactory->create(LT(1)); | 
| 1113 | > | astFactory->addASTChild(currentAST, tmp74_AST); | 
| 1114 |  | match(RCURLY); | 
| 1115 | < | #line 135 "MDParser.g" | 
| 1116 | < | tmp53_AST->setType(ENDBLOCK); | 
| 1117 | < | #line 836 "MDParser.cpp" | 
| 1115 | > | #line 157 "MDParser.g" | 
| 1116 | > | tmp74_AST->setType(ENDBLOCK); | 
| 1117 | > | #line 1118 "MDParser.cpp" | 
| 1118 |  | fragmentblock_AST = currentAST.root; | 
| 1119 |  | } | 
| 1120 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1121 |  | reportError(ex); | 
| 1122 | < | consume(); | 
| 841 | < | consumeUntil(_tokenSet_8); | 
| 1122 | > | recover(ex,_tokenSet_8); | 
| 1123 |  | } | 
| 1124 |  | returnAST = fragmentblock_AST; | 
| 1125 |  | } | 
| 1140 |  | } | 
| 1141 |  | case POSITION: | 
| 1142 |  | { | 
| 1143 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1144 | < | tmp54_AST = astFactory->create(LT(1)); | 
| 1145 | < | astFactory->makeASTRoot(currentAST, tmp54_AST); | 
| 1143 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp75_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1144 | > | tmp75_AST = astFactory->create(LT(1)); | 
| 1145 | > | astFactory->makeASTRoot(currentAST, tmp75_AST); | 
| 1146 |  | match(POSITION); | 
| 1147 |  | match(LPAREN); | 
| 1148 |  | doubleNumberTuple(); | 
| 1154 |  | } | 
| 1155 |  | case ORIENTATION: | 
| 1156 |  | { | 
| 1157 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1158 | < | tmp58_AST = astFactory->create(LT(1)); | 
| 1159 | < | astFactory->makeASTRoot(currentAST, tmp58_AST); | 
| 1157 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp79_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1158 | > | tmp79_AST = astFactory->create(LT(1)); | 
| 1159 | > | astFactory->makeASTRoot(currentAST, tmp79_AST); | 
| 1160 |  | match(ORIENTATION); | 
| 1161 |  | match(LPAREN); | 
| 1162 |  | doubleNumberTuple(); | 
| 1174 |  | } | 
| 1175 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1176 |  | reportError(ex); | 
| 1177 | < | consume(); | 
| 897 | < | consumeUntil(_tokenSet_10); | 
| 1177 | > | recover(ex,_tokenSet_10); | 
| 1178 |  | } | 
| 1179 |  | returnAST = atomstatement_AST; | 
| 1180 |  | } | 
| 1195 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1196 |  | } | 
| 1197 |  | else { | 
| 1198 | < | goto _loop56; | 
| 1198 | > | goto _loop68; | 
| 1199 |  | } | 
| 1200 |  |  | 
| 1201 |  | } | 
| 1202 | < | _loop56:; | 
| 1202 | > | _loop68:; | 
| 1203 |  | } // ( ... )* | 
| 1204 |  | doubleNumberTuple_AST = currentAST.root; | 
| 1205 |  | } | 
| 1206 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1207 |  | reportError(ex); | 
| 1208 | < | consume(); | 
| 929 | < | consumeUntil(_tokenSet_11); | 
| 1208 | > | recover(ex,_tokenSet_11); | 
| 1209 |  | } | 
| 1210 |  | returnAST = doubleNumberTuple_AST; | 
| 1211 |  | } | 
| 1226 |  | } | 
| 1227 |  | case MEMBERS: | 
| 1228 |  | { | 
| 1229 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1230 | < | tmp63_AST = astFactory->create(LT(1)); | 
| 1231 | < | astFactory->makeASTRoot(currentAST, tmp63_AST); | 
| 1229 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp84_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1230 | > | tmp84_AST = astFactory->create(LT(1)); | 
| 1231 | > | astFactory->makeASTRoot(currentAST, tmp84_AST); | 
| 1232 |  | match(MEMBERS); | 
| 1233 |  | match(LPAREN); | 
| 1234 |  | inttuple(); | 
| 1246 |  | } | 
| 1247 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1248 |  | reportError(ex); | 
| 1249 | < | consume(); | 
| 971 | < | consumeUntil(_tokenSet_12); | 
| 1249 | > | recover(ex,_tokenSet_12); | 
| 1250 |  | } | 
| 1251 |  | returnAST = bondstatement_AST; | 
| 1252 |  | } | 
| 1267 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1268 |  | } | 
| 1269 |  | else { | 
| 1270 | < | goto _loop59; | 
| 1270 | > | goto _loop71; | 
| 1271 |  | } | 
| 1272 |  |  | 
| 1273 |  | } | 
| 1274 | < | _loop59:; | 
| 1274 | > | _loop71:; | 
| 1275 |  | } // ( ... )* | 
| 1276 |  | inttuple_AST = currentAST.root; | 
| 1277 |  | } | 
| 1278 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1279 |  | reportError(ex); | 
| 1280 | < | consume(); | 
| 1003 | < | consumeUntil(_tokenSet_11); | 
| 1280 | > | recover(ex,_tokenSet_11); | 
| 1281 |  | } | 
| 1282 |  | returnAST = inttuple_AST; | 
| 1283 |  | } | 
| 1298 |  | } | 
| 1299 |  | case MEMBERS: | 
| 1300 |  | { | 
| 1301 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1302 | < | tmp68_AST = astFactory->create(LT(1)); | 
| 1303 | < | astFactory->makeASTRoot(currentAST, tmp68_AST); | 
| 1301 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp89_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1302 | > | tmp89_AST = astFactory->create(LT(1)); | 
| 1303 | > | astFactory->makeASTRoot(currentAST, tmp89_AST); | 
| 1304 |  | match(MEMBERS); | 
| 1305 |  | match(LPAREN); | 
| 1306 |  | inttuple(); | 
| 1318 |  | } | 
| 1319 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1320 |  | reportError(ex); | 
| 1321 | < | consume(); | 
| 1045 | < | consumeUntil(_tokenSet_12); | 
| 1321 | > | recover(ex,_tokenSet_12); | 
| 1322 |  | } | 
| 1323 |  | returnAST = bendstatement_AST; | 
| 1324 |  | } | 
| 1339 |  | } | 
| 1340 |  | case MEMBERS: | 
| 1341 |  | { | 
| 1342 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1343 | < | tmp72_AST = astFactory->create(LT(1)); | 
| 1344 | < | astFactory->makeASTRoot(currentAST, tmp72_AST); | 
| 1342 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp93_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1343 | > | tmp93_AST = astFactory->create(LT(1)); | 
| 1344 | > | astFactory->makeASTRoot(currentAST, tmp93_AST); | 
| 1345 |  | match(MEMBERS); | 
| 1346 |  | match(LPAREN); | 
| 1347 |  | inttuple(); | 
| 1359 |  | } | 
| 1360 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1361 |  | reportError(ex); | 
| 1362 | < | consume(); | 
| 1087 | < | consumeUntil(_tokenSet_12); | 
| 1362 | > | recover(ex,_tokenSet_12); | 
| 1363 |  | } | 
| 1364 |  | returnAST = torsionstatement_AST; | 
| 1365 |  | } | 
| 1366 |  |  | 
| 1092 | – | void MDParser::inversionblock() { | 
| 1093 | – | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1094 | – | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1095 | – | ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1096 | – |  | 
| 1097 | – | try {      // for error handling | 
| 1098 | – | ANTLR_USE_NAMESPACE(antlr)RefAST tmp76_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1099 | – | tmp76_AST = astFactory->create(LT(1)); | 
| 1100 | – | astFactory->makeASTRoot(currentAST, tmp76_AST); | 
| 1101 | – | match(INVERSION); | 
| 1102 | – | { | 
| 1103 | – | switch ( LA(1)) { | 
| 1104 | – | case LBRACKET: | 
| 1105 | – | { | 
| 1106 | – | match(LBRACKET); | 
| 1107 | – | intConst(); | 
| 1108 | – | match(RBRACKET); | 
| 1109 | – | break; | 
| 1110 | – | } | 
| 1111 | – | case LCURLY: | 
| 1112 | – | { | 
| 1113 | – | break; | 
| 1114 | – | } | 
| 1115 | – | default: | 
| 1116 | – | { | 
| 1117 | – | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1118 | – | } | 
| 1119 | – | } | 
| 1120 | – | } | 
| 1121 | – | match(LCURLY); | 
| 1122 | – | { // ( ... )* | 
| 1123 | – | for (;;) { | 
| 1124 | – | if ((LA(1) == CENTER || LA(1) == ID)) { | 
| 1125 | – | inversionstatement(); | 
| 1126 | – | astFactory->addASTChild( currentAST, returnAST ); | 
| 1127 | – | } | 
| 1128 | – | else { | 
| 1129 | – | goto _loop39; | 
| 1130 | – | } | 
| 1131 | – |  | 
| 1132 | – | } | 
| 1133 | – | _loop39:; | 
| 1134 | – | } // ( ... )* | 
| 1135 | – | ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1136 | – | tmp80_AST = astFactory->create(LT(1)); | 
| 1137 | – | astFactory->addASTChild(currentAST, tmp80_AST); | 
| 1138 | – | match(RCURLY); | 
| 1139 | – | #line 114 "MDParser.g" | 
| 1140 | – | tmp80_AST->setType(ENDBLOCK); | 
| 1141 | – | #line 1142 "MDParser.cpp" | 
| 1142 | – | inversionblock_AST = currentAST.root; | 
| 1143 | – | } | 
| 1144 | – | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1145 | – | reportError(ex); | 
| 1146 | – | consume(); | 
| 1147 | – | consumeUntil(_tokenSet_1); | 
| 1148 | – | } | 
| 1149 | – | returnAST = inversionblock_AST; | 
| 1150 | – | } | 
| 1151 | – |  | 
| 1367 |  | void MDParser::inversionstatement() { | 
| 1368 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1369 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1380 |  | } | 
| 1381 |  | case CENTER: | 
| 1382 |  | { | 
| 1383 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp81_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1384 | < | tmp81_AST = astFactory->create(LT(1)); | 
| 1385 | < | astFactory->makeASTRoot(currentAST, tmp81_AST); | 
| 1383 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp97_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1384 | > | tmp97_AST = astFactory->create(LT(1)); | 
| 1385 | > | astFactory->makeASTRoot(currentAST, tmp97_AST); | 
| 1386 |  | match(CENTER); | 
| 1387 |  | match(LPAREN); | 
| 1388 |  | intConst(); | 
| 1400 |  | } | 
| 1401 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1402 |  | reportError(ex); | 
| 1403 | < | consume(); | 
| 1189 | < | consumeUntil(_tokenSet_13); | 
| 1403 | > | recover(ex,_tokenSet_13); | 
| 1404 |  | } | 
| 1405 |  | returnAST = inversionstatement_AST; | 
| 1406 |  | } | 
| 1421 |  | } | 
| 1422 |  | case MEMBERS: | 
| 1423 |  | { | 
| 1424 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp85_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1425 | < | tmp85_AST = astFactory->create(LT(1)); | 
| 1426 | < | astFactory->makeASTRoot(currentAST, tmp85_AST); | 
| 1424 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp101_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1425 | > | tmp101_AST = astFactory->create(LT(1)); | 
| 1426 | > | astFactory->makeASTRoot(currentAST, tmp101_AST); | 
| 1427 |  | match(MEMBERS); | 
| 1428 |  | match(LPAREN); | 
| 1429 |  | inttuple(); | 
| 1441 |  | } | 
| 1442 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1443 |  | reportError(ex); | 
| 1444 | < | consume(); | 
| 1231 | < | consumeUntil(_tokenSet_12); | 
| 1444 | > | recover(ex,_tokenSet_12); | 
| 1445 |  | } | 
| 1446 |  | returnAST = rigidbodystatement_AST; | 
| 1447 |  | } | 
| 1462 |  | } | 
| 1463 |  | case MEMBERS: | 
| 1464 |  | { | 
| 1465 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp89_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1466 | < | tmp89_AST = astFactory->create(LT(1)); | 
| 1467 | < | astFactory->makeASTRoot(currentAST, tmp89_AST); | 
| 1465 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp105_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1466 | > | tmp105_AST = astFactory->create(LT(1)); | 
| 1467 | > | astFactory->makeASTRoot(currentAST, tmp105_AST); | 
| 1468 |  | match(MEMBERS); | 
| 1469 |  | match(LPAREN); | 
| 1470 |  | inttuple(); | 
| 1482 |  | } | 
| 1483 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1484 |  | reportError(ex); | 
| 1485 | < | consume(); | 
| 1273 | < | consumeUntil(_tokenSet_12); | 
| 1485 | > | recover(ex,_tokenSet_12); | 
| 1486 |  | } | 
| 1487 |  | returnAST = cutoffgroupstatement_AST; | 
| 1488 |  | } | 
| 1499 |  | } | 
| 1500 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1501 |  | reportError(ex); | 
| 1502 | < | consume(); | 
| 1291 | < | consumeUntil(_tokenSet_14); | 
| 1502 | > | recover(ex,_tokenSet_14); | 
| 1503 |  | } | 
| 1504 |  | returnAST = fragmentstatement_AST; | 
| 1505 |  | } | 
| 1536 |  | } | 
| 1537 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1538 |  | reportError(ex); | 
| 1539 | < | consume(); | 
| 1329 | < | consumeUntil(_tokenSet_15); | 
| 1539 | > | recover(ex,_tokenSet_15); | 
| 1540 |  | } | 
| 1541 |  | returnAST = doubleNumber_AST; | 
| 1542 |  | } | 
| 1543 |  |  | 
| 1544 |  | void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) | 
| 1545 |  | { | 
| 1546 | < | factory.setMaxNodeType(52); | 
| 1546 | > | factory.setMaxNodeType(56); | 
| 1547 |  | } | 
| 1548 |  | const char* MDParser::tokenNames[] = { | 
| 1549 |  | "<0>", | 
| 1553 |  | "\"component\"", | 
| 1554 |  | "\"molecule\"", | 
| 1555 |  | "\"zconstraint\"", | 
| 1556 | + | "\"restraint\"", | 
| 1557 |  | "\"atom\"", | 
| 1558 |  | "\"bond\"", | 
| 1559 |  | "\"bend\"", | 
| 1566 |  | "\"center\"", | 
| 1567 |  | "\"position\"", | 
| 1568 |  | "\"orientation\"", | 
| 1569 | + | "\"flucQ\"", | 
| 1570 | + | "\"RNEMD\"", | 
| 1571 | + | "\"minimizer\"", | 
| 1572 |  | "ENDBLOCK", | 
| 1573 |  | "ID", | 
| 1574 |  | "ASSIGNEQUAL", | 
| 1606 |  | 0 | 
| 1607 |  | }; | 
| 1608 |  |  | 
| 1609 | < | const unsigned long MDParser::_tokenSet_0_data_[] = { 1048688UL, 0UL, 0UL, 0UL }; | 
| 1610 | < | // "component" "molecule" "zconstraint" ID | 
| 1609 | > | const unsigned long MDParser::_tokenSet_0_data_[] = { 24117488UL, 0UL, 0UL, 0UL }; | 
| 1610 | > | // "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer" | 
| 1611 | > | // ID | 
| 1612 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 1613 |  | const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL }; | 
| 1614 |  | // EOF | 
| 1615 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 1616 | < | const unsigned long MDParser::_tokenSet_2_data_[] = { 1048690UL, 0UL, 0UL, 0UL }; | 
| 1617 | < | // EOF "component" "molecule" "zconstraint" ID | 
| 1616 | > | const unsigned long MDParser::_tokenSet_2_data_[] = { 24117490UL, 0UL, 0UL, 0UL }; | 
| 1617 | > | // EOF "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" | 
| 1618 | > | // "minimizer" ID | 
| 1619 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4); | 
| 1620 | < | const unsigned long MDParser::_tokenSet_3_data_[] = { 35125234UL, 0UL, 0UL, 0UL }; | 
| 1621 | < | // EOF "component" "molecule" "zconstraint" "atom" "bond" "bend" "torsion" | 
| 1622 | < | // "rigidBody" "cutoffGroup" "fragment" "members" "center" "position" "orientation" | 
| 1623 | < | // ID RCURLY | 
| 1620 | > | const unsigned long MDParser::_tokenSet_3_data_[] = { 562036722UL, 0UL, 0UL, 0UL }; | 
| 1621 | > | // EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend" | 
| 1622 | > | // "torsion" "inversion" "rigidBody" "cutoffGroup" "fragment" "members" | 
| 1623 | > | // "center" "position" "orientation" "flucQ" "RNEMD" "minimizer" ID RCURLY | 
| 1624 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4); | 
| 1625 | < | const unsigned long MDParser::_tokenSet_4_data_[] = { 1079168UL, 0UL, 0UL, 0UL }; | 
| 1626 | < | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1627 | < | // ID | 
| 1625 | > | const unsigned long MDParser::_tokenSet_4_data_[] = { 16842496UL, 0UL, 0UL, 0UL }; | 
| 1626 | > | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1627 | > | // "fragment" ID | 
| 1628 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4); | 
| 1629 | < | const unsigned long MDParser::_tokenSet_5_data_[] = { 4194304UL, 0UL, 0UL, 0UL }; | 
| 1629 | > | const unsigned long MDParser::_tokenSet_5_data_[] = { 67108864UL, 0UL, 0UL, 0UL }; | 
| 1630 |  | // SEMICOLON | 
| 1631 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4); | 
| 1632 | < | const unsigned long MDParser::_tokenSet_6_data_[] = { 1749024768UL, 0UL, 0UL, 0UL }; | 
| 1632 | > | const unsigned long MDParser::_tokenSet_6_data_[] = { 2214592512UL, 6UL, 0UL, 0UL }; | 
| 1633 |  | // SEMICOLON RBRACKET RPAREN COMMA | 
| 1634 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4); | 
| 1635 | < | const unsigned long MDParser::_tokenSet_7_data_[] = { 1614807040UL, 0UL, 0UL, 0UL }; | 
| 1635 | > | const unsigned long MDParser::_tokenSet_7_data_[] = { 67108864UL, 6UL, 0UL, 0UL }; | 
| 1636 |  | // SEMICOLON RPAREN COMMA | 
| 1637 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4); | 
| 1638 | < | const unsigned long MDParser::_tokenSet_8_data_[] = { 34633600UL, 0UL, 0UL, 0UL }; | 
| 1639 | < | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1640 | < | // ID RCURLY | 
| 1638 | > | const unsigned long MDParser::_tokenSet_8_data_[] = { 553713408UL, 0UL, 0UL, 0UL }; | 
| 1639 | > | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1640 | > | // "fragment" ID RCURLY | 
| 1641 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4); | 
| 1642 | < | const unsigned long MDParser::_tokenSet_9_data_[] = { 1441792UL, 0UL, 0UL, 0UL }; | 
| 1642 | > | const unsigned long MDParser::_tokenSet_9_data_[] = { 17563648UL, 0UL, 0UL, 0UL }; | 
| 1643 |  | // "position" "orientation" ID | 
| 1644 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4); | 
| 1645 | < | const unsigned long MDParser::_tokenSet_10_data_[] = { 34996224UL, 0UL, 0UL, 0UL }; | 
| 1645 | > | const unsigned long MDParser::_tokenSet_10_data_[] = { 554434560UL, 0UL, 0UL, 0UL }; | 
| 1646 |  | // "position" "orientation" ID RCURLY | 
| 1647 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4); | 
| 1648 | < | const unsigned long MDParser::_tokenSet_11_data_[] = { 536870912UL, 0UL, 0UL, 0UL }; | 
| 1648 | > | const unsigned long MDParser::_tokenSet_11_data_[] = { 0UL, 2UL, 0UL, 0UL }; | 
| 1649 |  | // RPAREN | 
| 1650 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4); | 
| 1651 | < | const unsigned long MDParser::_tokenSet_12_data_[] = { 34635776UL, 0UL, 0UL, 0UL }; | 
| 1651 | > | const unsigned long MDParser::_tokenSet_12_data_[] = { 553713664UL, 0UL, 0UL, 0UL }; | 
| 1652 |  | // "members" ID RCURLY | 
| 1653 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4); | 
| 1654 | < | const unsigned long MDParser::_tokenSet_13_data_[] = { 34668544UL, 0UL, 0UL, 0UL }; | 
| 1654 | > | const unsigned long MDParser::_tokenSet_13_data_[] = { 553779200UL, 0UL, 0UL, 0UL }; | 
| 1655 |  | // "center" ID RCURLY | 
| 1656 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4); | 
| 1657 | < | const unsigned long MDParser::_tokenSet_14_data_[] = { 34603008UL, 0UL, 0UL, 0UL }; | 
| 1657 | > | const unsigned long MDParser::_tokenSet_14_data_[] = { 553648128UL, 0UL, 0UL, 0UL }; | 
| 1658 |  | // ID RCURLY | 
| 1659 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4); | 
| 1660 | < | const unsigned long MDParser::_tokenSet_15_data_[] = { 1610612736UL, 0UL, 0UL, 0UL }; | 
| 1660 | > | const unsigned long MDParser::_tokenSet_15_data_[] = { 0UL, 6UL, 0UL, 0UL }; | 
| 1661 |  | // RPAREN COMMA | 
| 1662 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4); | 
| 1663 |  |  |