| 1 | < | /* $ANTLR 2.7.5 (20050406): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 1 | > | /* $ANTLR 2.7.7 (20141024): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 2 |  | #include "MDParser.hpp" | 
| 3 |  | #include <antlr/NoViableAltException.hpp> | 
| 4 |  | #include <antlr/SemanticException.hpp> | 
| 89 |  | case ZCONSTRAINT: | 
| 90 |  | { | 
| 91 |  | zconstraintblock(); | 
| 92 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 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; | 
| 188 |  | tmp6_AST = astFactory->create(LT(1)); | 
| 189 |  | astFactory->addASTChild(currentAST, tmp6_AST); | 
| 190 |  | match(RCURLY); | 
| 191 | < | #line 63 "MDParser.g" | 
| 191 | > | #line 77 "MDParser.g" | 
| 192 |  | tmp6_AST->setType(ENDBLOCK); | 
| 193 | < | #line 166 "MDParser.cpp" | 
| 193 | > | #line 194 "MDParser.cpp" | 
| 194 |  | componentblock_AST = currentAST.root; | 
| 195 |  | } | 
| 196 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 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 69 "MDParser.g" | 
| 231 | > | #line 95 "MDParser.g" | 
| 232 |  | tmp9_AST->setType(ENDBLOCK); | 
| 233 | < | #line 206 "MDParser.cpp" | 
| 233 | > | #line 234 "MDParser.cpp" | 
| 234 |  | moleculeblock_AST = currentAST.root; | 
| 235 |  | } | 
| 236 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 268 |  | tmp12_AST = astFactory->create(LT(1)); | 
| 269 |  | astFactory->addASTChild(currentAST, tmp12_AST); | 
| 270 |  | match(RCURLY); | 
| 271 | < | #line 66 "MDParser.g" | 
| 271 | > | #line 80 "MDParser.g" | 
| 272 |  | tmp12_AST->setType(ENDBLOCK); | 
| 273 | < | #line 246 "MDParser.cpp" | 
| 273 | > | #line 274 "MDParser.cpp" | 
| 274 |  | zconstraintblock_AST = currentAST.root; | 
| 275 |  | } | 
| 276 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 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 83 "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 86 "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 89 "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 92 "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() { | 
| 444 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 445 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 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; | 
| 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; | 
| 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; | 
| 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 | + | doubleNumberTuple(); | 
| 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(RPAREN); | 
| 596 | + | vectorConst_AST = currentAST.root; | 
| 597 | + | } | 
| 598 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 599 | + | reportError(ex); | 
| 600 | + | recover(ex,_tokenSet_5); | 
| 601 | + | } | 
| 602 | + | returnAST = vectorConst_AST; | 
| 603 | + | } | 
| 604 | + |  | 
| 605 |  | void MDParser::moleculestatement() { | 
| 606 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 607 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 644 |  | moleculestatement_AST = currentAST.root; | 
| 645 |  | break; | 
| 646 |  | } | 
| 647 | + | case INVERSION: | 
| 648 | + | { | 
| 649 | + | inversionblock(); | 
| 650 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 651 | + | moleculestatement_AST = currentAST.root; | 
| 652 | + | break; | 
| 653 | + | } | 
| 654 |  | case RIGIDBODY: | 
| 655 |  | { | 
| 656 |  | rigidbodyblock(); | 
| 672 |  | moleculestatement_AST = currentAST.root; | 
| 673 |  | break; | 
| 674 |  | } | 
| 675 | + | case CONSTRAINT: | 
| 676 | + | { | 
| 677 | + | constraintblock(); | 
| 678 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 679 | + | moleculestatement_AST = currentAST.root; | 
| 680 | + | break; | 
| 681 | + | } | 
| 682 |  | default: | 
| 683 |  | { | 
| 684 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 698 |  | ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 699 |  |  | 
| 700 |  | try {      // for error handling | 
| 701 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 702 | < | tmp19_AST = astFactory->create(LT(1)); | 
| 703 | < | astFactory->makeASTRoot(currentAST, tmp19_AST); | 
| 701 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 702 | > | tmp33_AST = astFactory->create(LT(1)); | 
| 703 | > | astFactory->makeASTRoot(currentAST, tmp33_AST); | 
| 704 |  | match(ATOM); | 
| 705 |  | match(LBRACKET); | 
| 706 |  | intConst(); | 
| 714 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 715 |  | } | 
| 716 |  | else { | 
| 717 | < | goto _loop19; | 
| 717 | > | goto _loop31; | 
| 718 |  | } | 
| 719 |  |  | 
| 720 |  | } | 
| 721 | < | _loop19:; | 
| 721 | > | _loop31:; | 
| 722 |  | } // ( ... )* | 
| 723 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 724 | < | tmp23_AST = astFactory->create(LT(1)); | 
| 725 | < | astFactory->addASTChild(currentAST, tmp23_AST); | 
| 723 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp37_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 724 | > | tmp37_AST = astFactory->create(LT(1)); | 
| 725 | > | astFactory->addASTChild(currentAST, tmp37_AST); | 
| 726 |  | match(RCURLY); | 
| 727 | < | #line 82 "MDParser.g" | 
| 728 | < | tmp23_AST->setType(ENDBLOCK); | 
| 729 | < | #line 496 "MDParser.cpp" | 
| 727 | > | #line 110 "MDParser.g" | 
| 728 | > | tmp37_AST->setType(ENDBLOCK); | 
| 729 | > | #line 730 "MDParser.cpp" | 
| 730 |  | atomblock_AST = currentAST.root; | 
| 731 |  | } | 
| 732 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 742 |  | ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 743 |  |  | 
| 744 |  | try {      // for error handling | 
| 745 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 746 | < | tmp24_AST = astFactory->create(LT(1)); | 
| 747 | < | astFactory->makeASTRoot(currentAST, tmp24_AST); | 
| 745 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 746 | > | tmp38_AST = astFactory->create(LT(1)); | 
| 747 | > | astFactory->makeASTRoot(currentAST, tmp38_AST); | 
| 748 |  | match(BOND); | 
| 749 |  | { | 
| 750 |  | switch ( LA(1)) { | 
| 773 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 774 |  | } | 
| 775 |  | else { | 
| 776 | < | goto _loop24; | 
| 776 | > | goto _loop36; | 
| 777 |  | } | 
| 778 |  |  | 
| 779 |  | } | 
| 780 | < | _loop24:; | 
| 780 | > | _loop36:; | 
| 781 |  | } // ( ... )* | 
| 782 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 783 | < | tmp28_AST = astFactory->create(LT(1)); | 
| 784 | < | astFactory->addASTChild(currentAST, tmp28_AST); | 
| 782 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 783 | > | tmp42_AST = astFactory->create(LT(1)); | 
| 784 | > | astFactory->addASTChild(currentAST, tmp42_AST); | 
| 785 |  | match(RCURLY); | 
| 786 | < | #line 91 "MDParser.g" | 
| 787 | < | tmp28_AST->setType(ENDBLOCK); | 
| 788 | < | #line 555 "MDParser.cpp" | 
| 786 | > | #line 119 "MDParser.g" | 
| 787 | > | tmp42_AST->setType(ENDBLOCK); | 
| 788 | > | #line 789 "MDParser.cpp" | 
| 789 |  | bondblock_AST = currentAST.root; | 
| 790 |  | } | 
| 791 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 801 |  | ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 802 |  |  | 
| 803 |  | try {      // for error handling | 
| 804 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 805 | < | tmp29_AST = astFactory->create(LT(1)); | 
| 806 | < | astFactory->makeASTRoot(currentAST, tmp29_AST); | 
| 804 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 805 | > | tmp43_AST = astFactory->create(LT(1)); | 
| 806 | > | astFactory->makeASTRoot(currentAST, tmp43_AST); | 
| 807 |  | match(BEND); | 
| 808 |  | { | 
| 809 |  | switch ( LA(1)) { | 
| 832 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 833 |  | } | 
| 834 |  | else { | 
| 835 | < | goto _loop29; | 
| 835 | > | goto _loop41; | 
| 836 |  | } | 
| 837 |  |  | 
| 838 |  | } | 
| 839 | < | _loop29:; | 
| 839 | > | _loop41:; | 
| 840 |  | } // ( ... )* | 
| 841 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 842 | < | tmp33_AST = astFactory->create(LT(1)); | 
| 843 | < | astFactory->addASTChild(currentAST, tmp33_AST); | 
| 841 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp47_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 842 | > | tmp47_AST = astFactory->create(LT(1)); | 
| 843 | > | astFactory->addASTChild(currentAST, tmp47_AST); | 
| 844 |  | match(RCURLY); | 
| 845 | < | #line 98 "MDParser.g" | 
| 846 | < | tmp33_AST->setType(ENDBLOCK); | 
| 847 | < | #line 614 "MDParser.cpp" | 
| 845 | > | #line 126 "MDParser.g" | 
| 846 | > | tmp47_AST->setType(ENDBLOCK); | 
| 847 | > | #line 848 "MDParser.cpp" | 
| 848 |  | bendblock_AST = currentAST.root; | 
| 849 |  | } | 
| 850 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 860 |  | ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 861 |  |  | 
| 862 |  | try {      // for error handling | 
| 863 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 864 | < | tmp34_AST = astFactory->create(LT(1)); | 
| 865 | < | astFactory->makeASTRoot(currentAST, tmp34_AST); | 
| 863 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 864 | > | tmp48_AST = astFactory->create(LT(1)); | 
| 865 | > | astFactory->makeASTRoot(currentAST, tmp48_AST); | 
| 866 |  | match(TORSION); | 
| 867 |  | { | 
| 868 |  | switch ( LA(1)) { | 
| 891 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 892 |  | } | 
| 893 |  | else { | 
| 894 | < | goto _loop34; | 
| 894 | > | goto _loop46; | 
| 895 |  | } | 
| 896 |  |  | 
| 897 |  | } | 
| 898 | < | _loop34:; | 
| 898 | > | _loop46:; | 
| 899 |  | } // ( ... )* | 
| 900 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 901 | < | tmp38_AST = astFactory->create(LT(1)); | 
| 902 | < | astFactory->addASTChild(currentAST, tmp38_AST); | 
| 900 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp52_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 901 | > | tmp52_AST = astFactory->create(LT(1)); | 
| 902 | > | astFactory->addASTChild(currentAST, tmp52_AST); | 
| 903 |  | match(RCURLY); | 
| 904 | < | #line 105 "MDParser.g" | 
| 905 | < | tmp38_AST->setType(ENDBLOCK); | 
| 906 | < | #line 673 "MDParser.cpp" | 
| 904 | > | #line 133 "MDParser.g" | 
| 905 | > | tmp52_AST->setType(ENDBLOCK); | 
| 906 | > | #line 907 "MDParser.cpp" | 
| 907 |  | torsionblock_AST = currentAST.root; | 
| 908 |  | } | 
| 909 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 911 |  | recover(ex,_tokenSet_8); | 
| 912 |  | } | 
| 913 |  | returnAST = torsionblock_AST; | 
| 914 | + | } | 
| 915 | + |  | 
| 916 | + | void MDParser::inversionblock() { | 
| 917 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 918 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 919 | + | ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 920 | + |  | 
| 921 | + | try {      // for error handling | 
| 922 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 923 | + | tmp53_AST = astFactory->create(LT(1)); | 
| 924 | + | astFactory->makeASTRoot(currentAST, tmp53_AST); | 
| 925 | + | match(INVERSION); | 
| 926 | + | { | 
| 927 | + | switch ( LA(1)) { | 
| 928 | + | case LBRACKET: | 
| 929 | + | { | 
| 930 | + | match(LBRACKET); | 
| 931 | + | intConst(); | 
| 932 | + | match(RBRACKET); | 
| 933 | + | break; | 
| 934 | + | } | 
| 935 | + | case LCURLY: | 
| 936 | + | { | 
| 937 | + | break; | 
| 938 | + | } | 
| 939 | + | default: | 
| 940 | + | { | 
| 941 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 942 | + | } | 
| 943 | + | } | 
| 944 | + | } | 
| 945 | + | match(LCURLY); | 
| 946 | + | { // ( ... )* | 
| 947 | + | for (;;) { | 
| 948 | + | if ((_tokenSet_10.member(LA(1)))) { | 
| 949 | + | inversionstatement(); | 
| 950 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 951 | + | } | 
| 952 | + | else { | 
| 953 | + | goto _loop51; | 
| 954 | + | } | 
| 955 | + |  | 
| 956 | + | } | 
| 957 | + | _loop51:; | 
| 958 | + | } // ( ... )* | 
| 959 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp57_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 960 | + | tmp57_AST = astFactory->create(LT(1)); | 
| 961 | + | astFactory->addASTChild(currentAST, tmp57_AST); | 
| 962 | + | match(RCURLY); | 
| 963 | + | #line 140 "MDParser.g" | 
| 964 | + | tmp57_AST->setType(ENDBLOCK); | 
| 965 | + | #line 966 "MDParser.cpp" | 
| 966 | + | inversionblock_AST = currentAST.root; | 
| 967 | + | } | 
| 968 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 969 | + | reportError(ex); | 
| 970 | + | recover(ex,_tokenSet_8); | 
| 971 | + | } | 
| 972 | + | returnAST = inversionblock_AST; | 
| 973 |  | } | 
| 974 |  |  | 
| 975 |  | void MDParser::rigidbodyblock() { | 
| 978 |  | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 979 |  |  | 
| 980 |  | try {      // for error handling | 
| 981 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 982 | < | tmp39_AST = astFactory->create(LT(1)); | 
| 983 | < | astFactory->makeASTRoot(currentAST, tmp39_AST); | 
| 981 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 982 | > | tmp58_AST = astFactory->create(LT(1)); | 
| 983 | > | astFactory->makeASTRoot(currentAST, tmp58_AST); | 
| 984 |  | match(RIGIDBODY); | 
| 985 |  | match(LBRACKET); | 
| 986 |  | intConst(); | 
| 994 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 995 |  | } | 
| 996 |  | else { | 
| 997 | < | goto _loop38; | 
| 997 | > | goto _loop55; | 
| 998 |  | } | 
| 999 |  |  | 
| 1000 |  | } | 
| 1001 | < | _loop38:; | 
| 1001 | > | _loop55:; | 
| 1002 |  | } // ( ... )* | 
| 1003 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1004 | < | tmp43_AST = astFactory->create(LT(1)); | 
| 1005 | < | astFactory->addASTChild(currentAST, tmp43_AST); | 
| 1003 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp62_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1004 | > | tmp62_AST = astFactory->create(LT(1)); | 
| 1005 | > | astFactory->addASTChild(currentAST, tmp62_AST); | 
| 1006 |  | match(RCURLY); | 
| 1007 | < | #line 112 "MDParser.g" | 
| 1008 | < | tmp43_AST->setType(ENDBLOCK); | 
| 1009 | < | #line 717 "MDParser.cpp" | 
| 1007 | > | #line 148 "MDParser.g" | 
| 1008 | > | tmp62_AST->setType(ENDBLOCK); | 
| 1009 | > | #line 1010 "MDParser.cpp" | 
| 1010 |  | rigidbodyblock_AST = currentAST.root; | 
| 1011 |  | } | 
| 1012 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1022 |  | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1023 |  |  | 
| 1024 |  | try {      // for error handling | 
| 1025 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1026 | < | tmp44_AST = astFactory->create(LT(1)); | 
| 1027 | < | astFactory->makeASTRoot(currentAST, tmp44_AST); | 
| 1025 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1026 | > | tmp63_AST = astFactory->create(LT(1)); | 
| 1027 | > | astFactory->makeASTRoot(currentAST, tmp63_AST); | 
| 1028 |  | match(CUTOFFGROUP); | 
| 1029 |  | { | 
| 1030 |  | switch ( LA(1)) { | 
| 1053 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1054 |  | } | 
| 1055 |  | else { | 
| 1056 | < | goto _loop43; | 
| 1056 | > | goto _loop60; | 
| 1057 |  | } | 
| 1058 |  |  | 
| 1059 |  | } | 
| 1060 | < | _loop43:; | 
| 1060 | > | _loop60:; | 
| 1061 |  | } // ( ... )* | 
| 1062 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1063 | < | tmp48_AST = astFactory->create(LT(1)); | 
| 1064 | < | astFactory->addASTChild(currentAST, tmp48_AST); | 
| 1062 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp67_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1063 | > | tmp67_AST = astFactory->create(LT(1)); | 
| 1064 | > | astFactory->addASTChild(currentAST, tmp67_AST); | 
| 1065 |  | match(RCURLY); | 
| 1066 | < | #line 119 "MDParser.g" | 
| 1067 | < | tmp48_AST->setType(ENDBLOCK); | 
| 1068 | < | #line 776 "MDParser.cpp" | 
| 1066 | > | #line 155 "MDParser.g" | 
| 1067 | > | tmp67_AST->setType(ENDBLOCK); | 
| 1068 | > | #line 1069 "MDParser.cpp" | 
| 1069 |  | cutoffgroupblock_AST = currentAST.root; | 
| 1070 |  | } | 
| 1071 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1081 |  | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1082 |  |  | 
| 1083 |  | try {      // for error handling | 
| 1084 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1085 | < | tmp49_AST = astFactory->create(LT(1)); | 
| 1086 | < | astFactory->makeASTRoot(currentAST, tmp49_AST); | 
| 1084 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1085 | > | tmp68_AST = astFactory->create(LT(1)); | 
| 1086 | > | astFactory->makeASTRoot(currentAST, tmp68_AST); | 
| 1087 |  | match(FRAGMENT); | 
| 1088 |  | match(LBRACKET); | 
| 1089 |  | intConst(); | 
| 1097 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1098 |  | } | 
| 1099 |  | else { | 
| 1100 | < | goto _loop47; | 
| 1100 | > | goto _loop64; | 
| 1101 |  | } | 
| 1102 |  |  | 
| 1103 |  | } | 
| 1104 | < | _loop47:; | 
| 1104 | > | _loop64:; | 
| 1105 |  | } // ( ... )* | 
| 1106 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1107 | < | tmp53_AST = astFactory->create(LT(1)); | 
| 1108 | < | astFactory->addASTChild(currentAST, tmp53_AST); | 
| 1106 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1107 | > | tmp72_AST = astFactory->create(LT(1)); | 
| 1108 | > | astFactory->addASTChild(currentAST, tmp72_AST); | 
| 1109 |  | match(RCURLY); | 
| 1110 | < | #line 126 "MDParser.g" | 
| 1111 | < | tmp53_AST->setType(ENDBLOCK); | 
| 1112 | < | #line 820 "MDParser.cpp" | 
| 1110 | > | #line 162 "MDParser.g" | 
| 1111 | > | tmp72_AST->setType(ENDBLOCK); | 
| 1112 | > | #line 1113 "MDParser.cpp" | 
| 1113 |  | fragmentblock_AST = currentAST.root; | 
| 1114 |  | } | 
| 1115 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1117 |  | recover(ex,_tokenSet_8); | 
| 1118 |  | } | 
| 1119 |  | returnAST = fragmentblock_AST; | 
| 1120 | + | } | 
| 1121 | + |  | 
| 1122 | + | void MDParser::constraintblock() { | 
| 1123 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1124 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1125 | + | ANTLR_USE_NAMESPACE(antlr)RefAST constraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1126 | + |  | 
| 1127 | + | try {      // for error handling | 
| 1128 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp73_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1129 | + | tmp73_AST = astFactory->create(LT(1)); | 
| 1130 | + | astFactory->makeASTRoot(currentAST, tmp73_AST); | 
| 1131 | + | match(CONSTRAINT); | 
| 1132 | + | { | 
| 1133 | + | switch ( LA(1)) { | 
| 1134 | + | case LBRACKET: | 
| 1135 | + | { | 
| 1136 | + | match(LBRACKET); | 
| 1137 | + | intConst(); | 
| 1138 | + | match(RBRACKET); | 
| 1139 | + | break; | 
| 1140 | + | } | 
| 1141 | + | case LCURLY: | 
| 1142 | + | { | 
| 1143 | + | break; | 
| 1144 | + | } | 
| 1145 | + | default: | 
| 1146 | + | { | 
| 1147 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1148 | + | } | 
| 1149 | + | } | 
| 1150 | + | } | 
| 1151 | + | match(LCURLY); | 
| 1152 | + | { // ( ... )* | 
| 1153 | + | for (;;) { | 
| 1154 | + | if ((LA(1) == MEMBERS || LA(1) == ID)) { | 
| 1155 | + | constraintstatement(); | 
| 1156 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1157 | + | } | 
| 1158 | + | else { | 
| 1159 | + | goto _loop69; | 
| 1160 | + | } | 
| 1161 | + |  | 
| 1162 | + | } | 
| 1163 | + | _loop69:; | 
| 1164 | + | } // ( ... )* | 
| 1165 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp77_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1166 | + | tmp77_AST = astFactory->create(LT(1)); | 
| 1167 | + | astFactory->addASTChild(currentAST, tmp77_AST); | 
| 1168 | + | match(RCURLY); | 
| 1169 | + | #line 168 "MDParser.g" | 
| 1170 | + | tmp77_AST->setType(ENDBLOCK); | 
| 1171 | + | #line 1172 "MDParser.cpp" | 
| 1172 | + | constraintblock_AST = currentAST.root; | 
| 1173 | + | } | 
| 1174 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1175 | + | reportError(ex); | 
| 1176 | + | recover(ex,_tokenSet_8); | 
| 1177 | + | } | 
| 1178 | + | returnAST = constraintblock_AST; | 
| 1179 |  | } | 
| 1180 |  |  | 
| 1181 |  | void MDParser::atomstatement() { | 
| 1194 |  | } | 
| 1195 |  | case POSITION: | 
| 1196 |  | { | 
| 1197 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1198 | < | tmp54_AST = astFactory->create(LT(1)); | 
| 1199 | < | astFactory->makeASTRoot(currentAST, tmp54_AST); | 
| 1197 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp78_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1198 | > | tmp78_AST = astFactory->create(LT(1)); | 
| 1199 | > | astFactory->makeASTRoot(currentAST, tmp78_AST); | 
| 1200 |  | match(POSITION); | 
| 1201 |  | match(LPAREN); | 
| 1202 |  | doubleNumberTuple(); | 
| 1208 |  | } | 
| 1209 |  | case ORIENTATION: | 
| 1210 |  | { | 
| 1211 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1212 | < | tmp58_AST = astFactory->create(LT(1)); | 
| 1213 | < | astFactory->makeASTRoot(currentAST, tmp58_AST); | 
| 1211 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp82_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1212 | > | tmp82_AST = astFactory->create(LT(1)); | 
| 1213 | > | astFactory->makeASTRoot(currentAST, tmp82_AST); | 
| 1214 |  | match(ORIENTATION); | 
| 1215 |  | match(LPAREN); | 
| 1216 |  | doubleNumberTuple(); | 
| 1228 |  | } | 
| 1229 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1230 |  | reportError(ex); | 
| 1231 | < | recover(ex,_tokenSet_10); | 
| 1231 | > | recover(ex,_tokenSet_11); | 
| 1232 |  | } | 
| 1233 |  | returnAST = atomstatement_AST; | 
| 1234 |  | } | 
| 1249 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1250 |  | } | 
| 1251 |  | else { | 
| 1252 | < | goto _loop51; | 
| 1252 | > | goto _loop73; | 
| 1253 |  | } | 
| 1254 |  |  | 
| 1255 |  | } | 
| 1256 | < | _loop51:; | 
| 1256 | > | _loop73:; | 
| 1257 |  | } // ( ... )* | 
| 1258 |  | doubleNumberTuple_AST = currentAST.root; | 
| 1259 |  | } | 
| 1260 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1261 |  | reportError(ex); | 
| 1262 | < | recover(ex,_tokenSet_11); | 
| 1262 | > | recover(ex,_tokenSet_12); | 
| 1263 |  | } | 
| 1264 |  | returnAST = doubleNumberTuple_AST; | 
| 1265 |  | } | 
| 1280 |  | } | 
| 1281 |  | case MEMBERS: | 
| 1282 |  | { | 
| 1283 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1284 | < | tmp63_AST = astFactory->create(LT(1)); | 
| 1285 | < | astFactory->makeASTRoot(currentAST, tmp63_AST); | 
| 1283 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp87_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1284 | > | tmp87_AST = astFactory->create(LT(1)); | 
| 1285 | > | astFactory->makeASTRoot(currentAST, tmp87_AST); | 
| 1286 |  | match(MEMBERS); | 
| 1287 |  | match(LPAREN); | 
| 1288 |  | inttuple(); | 
| 1300 |  | } | 
| 1301 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1302 |  | reportError(ex); | 
| 1303 | < | recover(ex,_tokenSet_12); | 
| 1303 | > | recover(ex,_tokenSet_13); | 
| 1304 |  | } | 
| 1305 |  | returnAST = bondstatement_AST; | 
| 1306 |  | } | 
| 1321 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1322 |  | } | 
| 1323 |  | else { | 
| 1324 | < | goto _loop54; | 
| 1324 | > | goto _loop76; | 
| 1325 |  | } | 
| 1326 |  |  | 
| 1327 |  | } | 
| 1328 | < | _loop54:; | 
| 1328 | > | _loop76:; | 
| 1329 |  | } // ( ... )* | 
| 1330 |  | inttuple_AST = currentAST.root; | 
| 1331 |  | } | 
| 1332 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1333 |  | reportError(ex); | 
| 1334 | < | recover(ex,_tokenSet_11); | 
| 1334 | > | recover(ex,_tokenSet_12); | 
| 1335 |  | } | 
| 1336 |  | returnAST = inttuple_AST; | 
| 1337 |  | } | 
| 1352 |  | } | 
| 1353 |  | case MEMBERS: | 
| 1354 |  | { | 
| 1355 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1356 | < | tmp68_AST = astFactory->create(LT(1)); | 
| 1357 | < | astFactory->makeASTRoot(currentAST, tmp68_AST); | 
| 1355 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp92_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1356 | > | tmp92_AST = astFactory->create(LT(1)); | 
| 1357 | > | astFactory->makeASTRoot(currentAST, tmp92_AST); | 
| 1358 |  | match(MEMBERS); | 
| 1359 |  | match(LPAREN); | 
| 1360 |  | inttuple(); | 
| 1372 |  | } | 
| 1373 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1374 |  | reportError(ex); | 
| 1375 | < | recover(ex,_tokenSet_12); | 
| 1375 | > | recover(ex,_tokenSet_13); | 
| 1376 |  | } | 
| 1377 |  | returnAST = bendstatement_AST; | 
| 1378 |  | } | 
| 1393 |  | } | 
| 1394 |  | case MEMBERS: | 
| 1395 |  | { | 
| 1396 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1397 | < | tmp72_AST = astFactory->create(LT(1)); | 
| 1398 | < | astFactory->makeASTRoot(currentAST, tmp72_AST); | 
| 1396 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp96_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1397 | > | tmp96_AST = astFactory->create(LT(1)); | 
| 1398 | > | astFactory->makeASTRoot(currentAST, tmp96_AST); | 
| 1399 |  | match(MEMBERS); | 
| 1400 |  | match(LPAREN); | 
| 1401 |  | inttuple(); | 
| 1413 |  | } | 
| 1414 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1415 |  | reportError(ex); | 
| 1416 | < | recover(ex,_tokenSet_12); | 
| 1416 | > | recover(ex,_tokenSet_13); | 
| 1417 |  | } | 
| 1418 |  | returnAST = torsionstatement_AST; | 
| 1419 |  | } | 
| 1420 |  |  | 
| 1421 | + | void MDParser::inversionstatement() { | 
| 1422 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1423 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1424 | + | ANTLR_USE_NAMESPACE(antlr)RefAST inversionstatement_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1425 | + |  | 
| 1426 | + | try {      // for error handling | 
| 1427 | + | switch ( LA(1)) { | 
| 1428 | + | case ID: | 
| 1429 | + | { | 
| 1430 | + | assignment(); | 
| 1431 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1432 | + | inversionstatement_AST = currentAST.root; | 
| 1433 | + | break; | 
| 1434 | + | } | 
| 1435 | + | case CENTER: | 
| 1436 | + | { | 
| 1437 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp100_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1438 | + | tmp100_AST = astFactory->create(LT(1)); | 
| 1439 | + | astFactory->makeASTRoot(currentAST, tmp100_AST); | 
| 1440 | + | match(CENTER); | 
| 1441 | + | match(LPAREN); | 
| 1442 | + | intConst(); | 
| 1443 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1444 | + | match(RPAREN); | 
| 1445 | + | match(SEMICOLON); | 
| 1446 | + | inversionstatement_AST = currentAST.root; | 
| 1447 | + | break; | 
| 1448 | + | } | 
| 1449 | + | case SATELLITES: | 
| 1450 | + | { | 
| 1451 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp104_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1452 | + | tmp104_AST = astFactory->create(LT(1)); | 
| 1453 | + | astFactory->makeASTRoot(currentAST, tmp104_AST); | 
| 1454 | + | match(SATELLITES); | 
| 1455 | + | match(LPAREN); | 
| 1456 | + | inttuple(); | 
| 1457 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1458 | + | match(RPAREN); | 
| 1459 | + | match(SEMICOLON); | 
| 1460 | + | inversionstatement_AST = currentAST.root; | 
| 1461 | + | break; | 
| 1462 | + | } | 
| 1463 | + | default: | 
| 1464 | + | { | 
| 1465 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1466 | + | } | 
| 1467 | + | } | 
| 1468 | + | } | 
| 1469 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1470 | + | reportError(ex); | 
| 1471 | + | recover(ex,_tokenSet_14); | 
| 1472 | + | } | 
| 1473 | + | returnAST = inversionstatement_AST; | 
| 1474 | + | } | 
| 1475 | + |  | 
| 1476 |  | void MDParser::rigidbodystatement() { | 
| 1477 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1478 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1489 |  | } | 
| 1490 |  | case MEMBERS: | 
| 1491 |  | { | 
| 1492 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp76_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1493 | < | tmp76_AST = astFactory->create(LT(1)); | 
| 1494 | < | astFactory->makeASTRoot(currentAST, tmp76_AST); | 
| 1492 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp108_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1493 | > | tmp108_AST = astFactory->create(LT(1)); | 
| 1494 | > | astFactory->makeASTRoot(currentAST, tmp108_AST); | 
| 1495 |  | match(MEMBERS); | 
| 1496 |  | match(LPAREN); | 
| 1497 |  | inttuple(); | 
| 1509 |  | } | 
| 1510 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1511 |  | reportError(ex); | 
| 1512 | < | recover(ex,_tokenSet_12); | 
| 1512 | > | recover(ex,_tokenSet_13); | 
| 1513 |  | } | 
| 1514 |  | returnAST = rigidbodystatement_AST; | 
| 1515 |  | } | 
| 1530 |  | } | 
| 1531 |  | case MEMBERS: | 
| 1532 |  | { | 
| 1533 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1534 | < | tmp80_AST = astFactory->create(LT(1)); | 
| 1535 | < | astFactory->makeASTRoot(currentAST, tmp80_AST); | 
| 1533 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp112_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1534 | > | tmp112_AST = astFactory->create(LT(1)); | 
| 1535 | > | astFactory->makeASTRoot(currentAST, tmp112_AST); | 
| 1536 |  | match(MEMBERS); | 
| 1537 |  | match(LPAREN); | 
| 1538 |  | inttuple(); | 
| 1550 |  | } | 
| 1551 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1552 |  | reportError(ex); | 
| 1553 | < | recover(ex,_tokenSet_12); | 
| 1553 | > | recover(ex,_tokenSet_13); | 
| 1554 |  | } | 
| 1555 |  | returnAST = cutoffgroupstatement_AST; | 
| 1556 |  | } | 
| 1567 |  | } | 
| 1568 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1569 |  | reportError(ex); | 
| 1570 | < | recover(ex,_tokenSet_13); | 
| 1570 | > | recover(ex,_tokenSet_15); | 
| 1571 |  | } | 
| 1572 |  | returnAST = fragmentstatement_AST; | 
| 1573 | + | } | 
| 1574 | + |  | 
| 1575 | + | void MDParser::constraintstatement() { | 
| 1576 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1577 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1578 | + | ANTLR_USE_NAMESPACE(antlr)RefAST constraintstatement_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1579 | + |  | 
| 1580 | + | try {      // for error handling | 
| 1581 | + | switch ( LA(1)) { | 
| 1582 | + | case ID: | 
| 1583 | + | { | 
| 1584 | + | assignment(); | 
| 1585 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1586 | + | constraintstatement_AST = currentAST.root; | 
| 1587 | + | break; | 
| 1588 | + | } | 
| 1589 | + | case MEMBERS: | 
| 1590 | + | { | 
| 1591 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp116_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1592 | + | tmp116_AST = astFactory->create(LT(1)); | 
| 1593 | + | astFactory->makeASTRoot(currentAST, tmp116_AST); | 
| 1594 | + | match(MEMBERS); | 
| 1595 | + | match(LPAREN); | 
| 1596 | + | inttuple(); | 
| 1597 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1598 | + | match(RPAREN); | 
| 1599 | + | match(SEMICOLON); | 
| 1600 | + | constraintstatement_AST = currentAST.root; | 
| 1601 | + | break; | 
| 1602 | + | } | 
| 1603 | + | default: | 
| 1604 | + | { | 
| 1605 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1606 | + | } | 
| 1607 | + | } | 
| 1608 | + | } | 
| 1609 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1610 | + | reportError(ex); | 
| 1611 | + | recover(ex,_tokenSet_13); | 
| 1612 | + | } | 
| 1613 | + | returnAST = constraintstatement_AST; | 
| 1614 |  | } | 
| 1615 |  |  | 
| 1616 |  | void MDParser::doubleNumber() { | 
| 1645 |  | } | 
| 1646 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1647 |  | reportError(ex); | 
| 1648 | < | recover(ex,_tokenSet_14); | 
| 1648 | > | recover(ex,_tokenSet_16); | 
| 1649 |  | } | 
| 1650 |  | returnAST = doubleNumber_AST; | 
| 1651 |  | } | 
| 1652 |  |  | 
| 1653 |  | void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) | 
| 1654 |  | { | 
| 1655 | < | factory.setMaxNodeType(50); | 
| 1655 | > | factory.setMaxNodeType(59); | 
| 1656 |  | } | 
| 1657 |  | const char* MDParser::tokenNames[] = { | 
| 1658 |  | "<0>", | 
| 1662 |  | "\"component\"", | 
| 1663 |  | "\"molecule\"", | 
| 1664 |  | "\"zconstraint\"", | 
| 1665 | + | "\"restraint\"", | 
| 1666 |  | "\"atom\"", | 
| 1667 |  | "\"bond\"", | 
| 1668 |  | "\"bend\"", | 
| 1669 |  | "\"torsion\"", | 
| 1670 | + | "\"inversion\"", | 
| 1671 |  | "\"rigidBody\"", | 
| 1672 |  | "\"cutoffGroup\"", | 
| 1673 | + | "\"constraint\"", | 
| 1674 | + | "\"distance\"", | 
| 1675 |  | "\"fragment\"", | 
| 1676 |  | "\"members\"", | 
| 1677 | + | "\"center\"", | 
| 1678 | + | "\"satellites\"", | 
| 1679 |  | "\"position\"", | 
| 1680 |  | "\"orientation\"", | 
| 1681 | + | "\"flucQ\"", | 
| 1682 | + | "\"RNEMD\"", | 
| 1683 | + | "\"minimizer\"", | 
| 1684 |  | "ENDBLOCK", | 
| 1685 |  | "ID", | 
| 1686 |  | "ASSIGNEQUAL", | 
| 1718 |  | 0 | 
| 1719 |  | }; | 
| 1720 |  |  | 
| 1721 | < | const unsigned long MDParser::_tokenSet_0_data_[] = { 262256UL, 0UL, 0UL, 0UL }; | 
| 1722 | < | // "component" "molecule" "zconstraint" ID | 
| 1721 | > | const unsigned long MDParser::_tokenSet_0_data_[] = { 192938224UL, 0UL, 0UL, 0UL }; | 
| 1722 | > | // "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer" | 
| 1723 | > | // ID | 
| 1724 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 1725 |  | const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL }; | 
| 1726 |  | // EOF | 
| 1727 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 1728 | < | const unsigned long MDParser::_tokenSet_2_data_[] = { 262258UL, 0UL, 0UL, 0UL }; | 
| 1729 | < | // EOF "component" "molecule" "zconstraint" ID | 
| 1728 | > | const unsigned long MDParser::_tokenSet_2_data_[] = { 192938226UL, 0UL, 0UL, 0UL }; | 
| 1729 | > | // EOF "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" | 
| 1730 | > | // "minimizer" ID | 
| 1731 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4); | 
| 1732 | < | const unsigned long MDParser::_tokenSet_3_data_[] = { 8781810UL, 0UL, 0UL, 0UL }; | 
| 1733 | < | // EOF "component" "molecule" "zconstraint" "atom" "bond" "bend" "torsion" | 
| 1734 | < | // "rigidBody" "cutoffGroup" "fragment" "members" "position" "orientation" | 
| 1735 | < | // ID RCURLY | 
| 1732 | > | const unsigned long MDParser::_tokenSet_3_data_[] = { 201261042UL, 1UL, 0UL, 0UL }; | 
| 1733 | > | // EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend" | 
| 1734 | > | // "torsion" "inversion" "rigidBody" "cutoffGroup" "constraint" "fragment" | 
| 1735 | > | // "members" "center" "satellites" "position" "orientation" "flucQ" "RNEMD" | 
| 1736 | > | // "minimizer" ID RCURLY | 
| 1737 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4); | 
| 1738 | < | const unsigned long MDParser::_tokenSet_4_data_[] = { 278400UL, 0UL, 0UL, 0UL }; | 
| 1739 | < | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1740 | < | // ID | 
| 1738 | > | const unsigned long MDParser::_tokenSet_4_data_[] = { 134414080UL, 0UL, 0UL, 0UL }; | 
| 1739 | > | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1740 | > | // "constraint" "fragment" ID | 
| 1741 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4); | 
| 1742 | < | const unsigned long MDParser::_tokenSet_5_data_[] = { 1048576UL, 0UL, 0UL, 0UL }; | 
| 1742 | > | const unsigned long MDParser::_tokenSet_5_data_[] = { 536870912UL, 0UL, 0UL, 0UL }; | 
| 1743 |  | // SEMICOLON | 
| 1744 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4); | 
| 1745 | < | const unsigned long MDParser::_tokenSet_6_data_[] = { 437256192UL, 0UL, 0UL, 0UL }; | 
| 1745 | > | const unsigned long MDParser::_tokenSet_6_data_[] = { 536870912UL, 52UL, 0UL, 0UL }; | 
| 1746 |  | // SEMICOLON RBRACKET RPAREN COMMA | 
| 1747 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4); | 
| 1748 | < | const unsigned long MDParser::_tokenSet_7_data_[] = { 403701760UL, 0UL, 0UL, 0UL }; | 
| 1748 | > | const unsigned long MDParser::_tokenSet_7_data_[] = { 536870912UL, 48UL, 0UL, 0UL }; | 
| 1749 |  | // SEMICOLON RPAREN COMMA | 
| 1750 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4); | 
| 1751 | < | const unsigned long MDParser::_tokenSet_8_data_[] = { 8667008UL, 0UL, 0UL, 0UL }; | 
| 1752 | < | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1753 | < | // ID RCURLY | 
| 1751 | > | const unsigned long MDParser::_tokenSet_8_data_[] = { 134414080UL, 1UL, 0UL, 0UL }; | 
| 1752 | > | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1753 | > | // "constraint" "fragment" ID RCURLY | 
| 1754 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4); | 
| 1755 | < | const unsigned long MDParser::_tokenSet_9_data_[] = { 360448UL, 0UL, 0UL, 0UL }; | 
| 1755 | > | const unsigned long MDParser::_tokenSet_9_data_[] = { 140509184UL, 0UL, 0UL, 0UL }; | 
| 1756 |  | // "position" "orientation" ID | 
| 1757 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4); | 
| 1758 | < | const unsigned long MDParser::_tokenSet_10_data_[] = { 8749056UL, 0UL, 0UL, 0UL }; | 
| 1759 | < | // "position" "orientation" ID RCURLY | 
| 1758 | > | const unsigned long MDParser::_tokenSet_10_data_[] = { 135790592UL, 0UL, 0UL, 0UL }; | 
| 1759 | > | // "center" "satellites" ID | 
| 1760 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4); | 
| 1761 | < | const unsigned long MDParser::_tokenSet_11_data_[] = { 134217728UL, 0UL, 0UL, 0UL }; | 
| 1762 | < | // RPAREN | 
| 1761 | > | const unsigned long MDParser::_tokenSet_11_data_[] = { 140509184UL, 1UL, 0UL, 0UL }; | 
| 1762 | > | // "position" "orientation" ID RCURLY | 
| 1763 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4); | 
| 1764 | < | const unsigned long MDParser::_tokenSet_12_data_[] = { 8667136UL, 0UL, 0UL, 0UL }; | 
| 1765 | < | // "members" ID RCURLY | 
| 1764 | > | const unsigned long MDParser::_tokenSet_12_data_[] = { 0UL, 16UL, 0UL, 0UL }; | 
| 1765 | > | // RPAREN | 
| 1766 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4); | 
| 1767 | < | const unsigned long MDParser::_tokenSet_13_data_[] = { 8650752UL, 0UL, 0UL, 0UL }; | 
| 1768 | < | // ID RCURLY | 
| 1767 | > | const unsigned long MDParser::_tokenSet_13_data_[] = { 134479872UL, 1UL, 0UL, 0UL }; | 
| 1768 | > | // "members" ID RCURLY | 
| 1769 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4); | 
| 1770 | < | const unsigned long MDParser::_tokenSet_14_data_[] = { 402653184UL, 0UL, 0UL, 0UL }; | 
| 1771 | < | // RPAREN COMMA | 
| 1770 | > | const unsigned long MDParser::_tokenSet_14_data_[] = { 135790592UL, 1UL, 0UL, 0UL }; | 
| 1771 | > | // "center" "satellites" ID RCURLY | 
| 1772 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4); | 
| 1773 | + | const unsigned long MDParser::_tokenSet_15_data_[] = { 134217728UL, 1UL, 0UL, 0UL }; | 
| 1774 | + | // ID RCURLY | 
| 1775 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4); | 
| 1776 | + | const unsigned long MDParser::_tokenSet_16_data_[] = { 0UL, 48UL, 0UL, 0UL }; | 
| 1777 | + | // RPAREN COMMA | 
| 1778 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_16(_tokenSet_16_data_,4); | 
| 1779 |  |  | 
| 1780 |  |  |