| 1 | < | /* $ANTLR 2.7.7 (20090623): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 1 | > | /* $ANTLR 2.7.7 (20110725): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 2 |  | #include "MDParser.hpp" | 
| 3 |  | #include <antlr/NoViableAltException.hpp> | 
| 4 |  | #include <antlr/SemanticException.hpp> | 
| 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 |  | default: | 
| 118 |  | { | 
| 119 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 181 |  | tmp6_AST = astFactory->create(LT(1)); | 
| 182 |  | astFactory->addASTChild(currentAST, tmp6_AST); | 
| 183 |  | match(RCURLY); | 
| 184 | < | #line 67 "MDParser.g" | 
| 184 | > | #line 71 "MDParser.g" | 
| 185 |  | tmp6_AST->setType(ENDBLOCK); | 
| 186 | < | #line 173 "MDParser.cpp" | 
| 186 | > | #line 187 "MDParser.cpp" | 
| 187 |  | componentblock_AST = currentAST.root; | 
| 188 |  | } | 
| 189 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 211 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 212 |  | } | 
| 213 |  | else { | 
| 214 | < | goto _loop18; | 
| 214 | > | goto _loop24; | 
| 215 |  | } | 
| 216 |  |  | 
| 217 |  | } | 
| 218 | < | _loop18:; | 
| 218 | > | _loop24:; | 
| 219 |  | } // ( ... )* | 
| 220 |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 221 |  | tmp9_AST = astFactory->create(LT(1)); | 
| 222 |  | astFactory->addASTChild(currentAST, tmp9_AST); | 
| 223 |  | match(RCURLY); | 
| 224 | < | #line 76 "MDParser.g" | 
| 224 | > | #line 86 "MDParser.g" | 
| 225 |  | tmp9_AST->setType(ENDBLOCK); | 
| 226 | < | #line 213 "MDParser.cpp" | 
| 226 | > | #line 227 "MDParser.cpp" | 
| 227 |  | moleculeblock_AST = currentAST.root; | 
| 228 |  | } | 
| 229 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 261 |  | tmp12_AST = astFactory->create(LT(1)); | 
| 262 |  | astFactory->addASTChild(currentAST, tmp12_AST); | 
| 263 |  | match(RCURLY); | 
| 264 | < | #line 70 "MDParser.g" | 
| 264 | > | #line 74 "MDParser.g" | 
| 265 |  | tmp12_AST->setType(ENDBLOCK); | 
| 266 | < | #line 253 "MDParser.cpp" | 
| 266 | > | #line 267 "MDParser.cpp" | 
| 267 |  | zconstraintblock_AST = currentAST.root; | 
| 268 |  | } | 
| 269 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 301 |  | tmp15_AST = astFactory->create(LT(1)); | 
| 302 |  | astFactory->addASTChild(currentAST, tmp15_AST); | 
| 303 |  | match(RCURLY); | 
| 304 | < | #line 73 "MDParser.g" | 
| 304 | > | #line 77 "MDParser.g" | 
| 305 |  | tmp15_AST->setType(ENDBLOCK); | 
| 306 | < | #line 293 "MDParser.cpp" | 
| 306 | > | #line 307 "MDParser.cpp" | 
| 307 |  | restraintblock_AST = currentAST.root; | 
| 308 |  | } | 
| 309 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 311 |  | recover(ex,_tokenSet_2); | 
| 312 |  | } | 
| 313 |  | returnAST = restraintblock_AST; | 
| 314 | + | } | 
| 315 | + |  | 
| 316 | + | void MDParser::flucqblock() { | 
| 317 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 318 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 319 | + | ANTLR_USE_NAMESPACE(antlr)RefAST flucqblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 320 | + |  | 
| 321 | + | try {      // for error handling | 
| 322 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 323 | + | tmp16_AST = astFactory->create(LT(1)); | 
| 324 | + | astFactory->makeASTRoot(currentAST, tmp16_AST); | 
| 325 | + | match(FLUCQ); | 
| 326 | + | match(LCURLY); | 
| 327 | + | { // ( ... )* | 
| 328 | + | for (;;) { | 
| 329 | + | if ((LA(1) == ID)) { | 
| 330 | + | assignment(); | 
| 331 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 332 | + | } | 
| 333 | + | else { | 
| 334 | + | goto _loop18; | 
| 335 | + | } | 
| 336 | + |  | 
| 337 | + | } | 
| 338 | + | _loop18:; | 
| 339 | + | } // ( ... )* | 
| 340 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 341 | + | tmp18_AST = astFactory->create(LT(1)); | 
| 342 | + | astFactory->addASTChild(currentAST, tmp18_AST); | 
| 343 | + | match(RCURLY); | 
| 344 | + | #line 80 "MDParser.g" | 
| 345 | + | tmp18_AST->setType(ENDBLOCK); | 
| 346 | + | #line 347 "MDParser.cpp" | 
| 347 | + | flucqblock_AST = currentAST.root; | 
| 348 | + | } | 
| 349 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 350 | + | reportError(ex); | 
| 351 | + | recover(ex,_tokenSet_2); | 
| 352 | + | } | 
| 353 | + | returnAST = flucqblock_AST; | 
| 354 |  | } | 
| 355 |  |  | 
| 356 | + | void MDParser::rnemdblock() { | 
| 357 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 358 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 359 | + | ANTLR_USE_NAMESPACE(antlr)RefAST rnemdblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 360 | + |  | 
| 361 | + | try {      // for error handling | 
| 362 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 363 | + | tmp19_AST = astFactory->create(LT(1)); | 
| 364 | + | astFactory->makeASTRoot(currentAST, tmp19_AST); | 
| 365 | + | match(RNEMD); | 
| 366 | + | match(LCURLY); | 
| 367 | + | { // ( ... )* | 
| 368 | + | for (;;) { | 
| 369 | + | if ((LA(1) == ID)) { | 
| 370 | + | assignment(); | 
| 371 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 372 | + | } | 
| 373 | + | else { | 
| 374 | + | goto _loop21; | 
| 375 | + | } | 
| 376 | + |  | 
| 377 | + | } | 
| 378 | + | _loop21:; | 
| 379 | + | } // ( ... )* | 
| 380 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 381 | + | tmp21_AST = astFactory->create(LT(1)); | 
| 382 | + | astFactory->addASTChild(currentAST, tmp21_AST); | 
| 383 | + | match(RCURLY); | 
| 384 | + | #line 83 "MDParser.g" | 
| 385 | + | tmp21_AST->setType(ENDBLOCK); | 
| 386 | + | #line 387 "MDParser.cpp" | 
| 387 | + | rnemdblock_AST = currentAST.root; | 
| 388 | + | } | 
| 389 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 390 | + | reportError(ex); | 
| 391 | + | recover(ex,_tokenSet_2); | 
| 392 | + | } | 
| 393 | + | returnAST = rnemdblock_AST; | 
| 394 | + | } | 
| 395 | + |  | 
| 396 |  | void MDParser::constant() { | 
| 397 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 398 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 418 |  | } | 
| 419 |  | case ID: | 
| 420 |  | { | 
| 421 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 422 | < | tmp16_AST = astFactory->create(LT(1)); | 
| 423 | < | astFactory->addASTChild(currentAST, tmp16_AST); | 
| 421 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 422 | > | tmp22_AST = astFactory->create(LT(1)); | 
| 423 | > | astFactory->addASTChild(currentAST, tmp22_AST); | 
| 424 |  | match(ID); | 
| 425 |  | constant_AST = currentAST.root; | 
| 426 |  | break; | 
| 427 |  | } | 
| 428 |  | case StringLiteral: | 
| 429 |  | { | 
| 430 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 431 | < | tmp17_AST = astFactory->create(LT(1)); | 
| 432 | < | astFactory->addASTChild(currentAST, tmp17_AST); | 
| 430 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 431 | > | tmp23_AST = astFactory->create(LT(1)); | 
| 432 | > | astFactory->addASTChild(currentAST, tmp23_AST); | 
| 433 |  | match(StringLiteral); | 
| 434 |  | constant_AST = currentAST.root; | 
| 435 |  | break; | 
| 456 |  | switch ( LA(1)) { | 
| 457 |  | case NUM_INT: | 
| 458 |  | { | 
| 459 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 460 | < | tmp18_AST = astFactory->create(LT(1)); | 
| 461 | < | astFactory->addASTChild(currentAST, tmp18_AST); | 
| 459 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 460 | > | tmp24_AST = astFactory->create(LT(1)); | 
| 461 | > | astFactory->addASTChild(currentAST, tmp24_AST); | 
| 462 |  | match(NUM_INT); | 
| 463 |  | intConst_AST = currentAST.root; | 
| 464 |  | break; | 
| 465 |  | } | 
| 466 |  | case NUM_LONG: | 
| 467 |  | { | 
| 468 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 469 | < | tmp19_AST = astFactory->create(LT(1)); | 
| 470 | < | astFactory->addASTChild(currentAST, tmp19_AST); | 
| 468 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 469 | > | tmp25_AST = astFactory->create(LT(1)); | 
| 470 | > | astFactory->addASTChild(currentAST, tmp25_AST); | 
| 471 |  | match(NUM_LONG); | 
| 472 |  | intConst_AST = currentAST.root; | 
| 473 |  | break; | 
| 494 |  | switch ( LA(1)) { | 
| 495 |  | case NUM_FLOAT: | 
| 496 |  | { | 
| 497 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 498 | < | tmp20_AST = astFactory->create(LT(1)); | 
| 499 | < | astFactory->addASTChild(currentAST, tmp20_AST); | 
| 497 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 498 | > | tmp26_AST = astFactory->create(LT(1)); | 
| 499 | > | astFactory->addASTChild(currentAST, tmp26_AST); | 
| 500 |  | match(NUM_FLOAT); | 
| 501 |  | floatConst_AST = currentAST.root; | 
| 502 |  | break; | 
| 503 |  | } | 
| 504 |  | case NUM_DOUBLE: | 
| 505 |  | { | 
| 506 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 507 | < | tmp21_AST = astFactory->create(LT(1)); | 
| 508 | < | astFactory->addASTChild(currentAST, tmp21_AST); | 
| 506 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 507 | > | tmp27_AST = astFactory->create(LT(1)); | 
| 508 | > | astFactory->addASTChild(currentAST, tmp27_AST); | 
| 509 |  | match(NUM_DOUBLE); | 
| 510 |  | floatConst_AST = currentAST.root; | 
| 511 |  | break; | 
| 612 |  | ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 613 |  |  | 
| 614 |  | try {      // for error handling | 
| 615 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 616 | < | tmp22_AST = astFactory->create(LT(1)); | 
| 617 | < | astFactory->makeASTRoot(currentAST, tmp22_AST); | 
| 615 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 616 | > | tmp28_AST = astFactory->create(LT(1)); | 
| 617 | > | astFactory->makeASTRoot(currentAST, tmp28_AST); | 
| 618 |  | match(ATOM); | 
| 619 |  | match(LBRACKET); | 
| 620 |  | intConst(); | 
| 628 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 629 |  | } | 
| 630 |  | else { | 
| 631 | < | goto _loop22; | 
| 631 | > | goto _loop28; | 
| 632 |  | } | 
| 633 |  |  | 
| 634 |  | } | 
| 635 | < | _loop22:; | 
| 635 | > | _loop28:; | 
| 636 |  | } // ( ... )* | 
| 637 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 638 | < | tmp26_AST = astFactory->create(LT(1)); | 
| 639 | < | astFactory->addASTChild(currentAST, tmp26_AST); | 
| 637 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 638 | > | tmp32_AST = astFactory->create(LT(1)); | 
| 639 | > | astFactory->addASTChild(currentAST, tmp32_AST); | 
| 640 |  | match(RCURLY); | 
| 641 | < | #line 90 "MDParser.g" | 
| 642 | < | tmp26_AST->setType(ENDBLOCK); | 
| 643 | < | #line 550 "MDParser.cpp" | 
| 641 | > | #line 100 "MDParser.g" | 
| 642 | > | tmp32_AST->setType(ENDBLOCK); | 
| 643 | > | #line 644 "MDParser.cpp" | 
| 644 |  | atomblock_AST = currentAST.root; | 
| 645 |  | } | 
| 646 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 656 |  | ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 657 |  |  | 
| 658 |  | try {      // for error handling | 
| 659 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 660 | < | tmp27_AST = astFactory->create(LT(1)); | 
| 661 | < | astFactory->makeASTRoot(currentAST, tmp27_AST); | 
| 659 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 660 | > | tmp33_AST = astFactory->create(LT(1)); | 
| 661 | > | astFactory->makeASTRoot(currentAST, tmp33_AST); | 
| 662 |  | match(BOND); | 
| 663 |  | { | 
| 664 |  | switch ( LA(1)) { | 
| 687 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 688 |  | } | 
| 689 |  | else { | 
| 690 | < | goto _loop27; | 
| 690 | > | goto _loop33; | 
| 691 |  | } | 
| 692 |  |  | 
| 693 |  | } | 
| 694 | < | _loop27:; | 
| 694 | > | _loop33:; | 
| 695 |  | } // ( ... )* | 
| 696 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 697 | < | tmp31_AST = astFactory->create(LT(1)); | 
| 698 | < | astFactory->addASTChild(currentAST, tmp31_AST); | 
| 696 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp37_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 697 | > | tmp37_AST = astFactory->create(LT(1)); | 
| 698 | > | astFactory->addASTChild(currentAST, tmp37_AST); | 
| 699 |  | match(RCURLY); | 
| 700 | < | #line 99 "MDParser.g" | 
| 701 | < | tmp31_AST->setType(ENDBLOCK); | 
| 702 | < | #line 609 "MDParser.cpp" | 
| 700 | > | #line 109 "MDParser.g" | 
| 701 | > | tmp37_AST->setType(ENDBLOCK); | 
| 702 | > | #line 703 "MDParser.cpp" | 
| 703 |  | bondblock_AST = currentAST.root; | 
| 704 |  | } | 
| 705 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 715 |  | ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 716 |  |  | 
| 717 |  | try {      // for error handling | 
| 718 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 719 | < | tmp32_AST = astFactory->create(LT(1)); | 
| 720 | < | astFactory->makeASTRoot(currentAST, tmp32_AST); | 
| 718 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 719 | > | tmp38_AST = astFactory->create(LT(1)); | 
| 720 | > | astFactory->makeASTRoot(currentAST, tmp38_AST); | 
| 721 |  | match(BEND); | 
| 722 |  | { | 
| 723 |  | switch ( LA(1)) { | 
| 746 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 747 |  | } | 
| 748 |  | else { | 
| 749 | < | goto _loop32; | 
| 749 | > | goto _loop38; | 
| 750 |  | } | 
| 751 |  |  | 
| 752 |  | } | 
| 753 | < | _loop32:; | 
| 753 | > | _loop38:; | 
| 754 |  | } // ( ... )* | 
| 755 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp36_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 756 | < | tmp36_AST = astFactory->create(LT(1)); | 
| 757 | < | astFactory->addASTChild(currentAST, tmp36_AST); | 
| 755 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 756 | > | tmp42_AST = astFactory->create(LT(1)); | 
| 757 | > | astFactory->addASTChild(currentAST, tmp42_AST); | 
| 758 |  | match(RCURLY); | 
| 759 | < | #line 106 "MDParser.g" | 
| 760 | < | tmp36_AST->setType(ENDBLOCK); | 
| 761 | < | #line 668 "MDParser.cpp" | 
| 759 | > | #line 116 "MDParser.g" | 
| 760 | > | tmp42_AST->setType(ENDBLOCK); | 
| 761 | > | #line 762 "MDParser.cpp" | 
| 762 |  | bendblock_AST = currentAST.root; | 
| 763 |  | } | 
| 764 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 774 |  | ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 775 |  |  | 
| 776 |  | try {      // for error handling | 
| 777 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp37_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 778 | < | tmp37_AST = astFactory->create(LT(1)); | 
| 779 | < | astFactory->makeASTRoot(currentAST, tmp37_AST); | 
| 777 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 778 | > | tmp43_AST = astFactory->create(LT(1)); | 
| 779 | > | astFactory->makeASTRoot(currentAST, tmp43_AST); | 
| 780 |  | match(TORSION); | 
| 781 |  | { | 
| 782 |  | switch ( LA(1)) { | 
| 805 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 806 |  | } | 
| 807 |  | else { | 
| 808 | < | goto _loop37; | 
| 808 | > | goto _loop43; | 
| 809 |  | } | 
| 810 |  |  | 
| 811 |  | } | 
| 812 | < | _loop37:; | 
| 812 | > | _loop43:; | 
| 813 |  | } // ( ... )* | 
| 814 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp41_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 815 | < | tmp41_AST = astFactory->create(LT(1)); | 
| 816 | < | astFactory->addASTChild(currentAST, tmp41_AST); | 
| 814 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp47_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 815 | > | tmp47_AST = astFactory->create(LT(1)); | 
| 816 | > | astFactory->addASTChild(currentAST, tmp47_AST); | 
| 817 |  | match(RCURLY); | 
| 818 | < | #line 113 "MDParser.g" | 
| 819 | < | tmp41_AST->setType(ENDBLOCK); | 
| 820 | < | #line 727 "MDParser.cpp" | 
| 818 | > | #line 123 "MDParser.g" | 
| 819 | > | tmp47_AST->setType(ENDBLOCK); | 
| 820 | > | #line 821 "MDParser.cpp" | 
| 821 |  | torsionblock_AST = currentAST.root; | 
| 822 |  | } | 
| 823 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 833 |  | ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 834 |  |  | 
| 835 |  | try {      // for error handling | 
| 836 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 837 | < | tmp42_AST = astFactory->create(LT(1)); | 
| 838 | < | astFactory->makeASTRoot(currentAST, tmp42_AST); | 
| 836 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 837 | > | tmp48_AST = astFactory->create(LT(1)); | 
| 838 | > | astFactory->makeASTRoot(currentAST, tmp48_AST); | 
| 839 |  | match(INVERSION); | 
| 840 |  | { | 
| 841 |  | switch ( LA(1)) { | 
| 864 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 865 |  | } | 
| 866 |  | else { | 
| 867 | < | goto _loop42; | 
| 867 | > | goto _loop48; | 
| 868 |  | } | 
| 869 |  |  | 
| 870 |  | } | 
| 871 | < | _loop42:; | 
| 871 | > | _loop48:; | 
| 872 |  | } // ( ... )* | 
| 873 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp46_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 874 | < | tmp46_AST = astFactory->create(LT(1)); | 
| 875 | < | astFactory->addASTChild(currentAST, tmp46_AST); | 
| 873 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp52_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 874 | > | tmp52_AST = astFactory->create(LT(1)); | 
| 875 | > | astFactory->addASTChild(currentAST, tmp52_AST); | 
| 876 |  | match(RCURLY); | 
| 877 | < | #line 120 "MDParser.g" | 
| 878 | < | tmp46_AST->setType(ENDBLOCK); | 
| 879 | < | #line 786 "MDParser.cpp" | 
| 877 | > | #line 130 "MDParser.g" | 
| 878 | > | tmp52_AST->setType(ENDBLOCK); | 
| 879 | > | #line 880 "MDParser.cpp" | 
| 880 |  | inversionblock_AST = currentAST.root; | 
| 881 |  | } | 
| 882 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 892 |  | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 893 |  |  | 
| 894 |  | try {      // for error handling | 
| 895 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp47_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 896 | < | tmp47_AST = astFactory->create(LT(1)); | 
| 897 | < | astFactory->makeASTRoot(currentAST, tmp47_AST); | 
| 895 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 896 | > | tmp53_AST = astFactory->create(LT(1)); | 
| 897 | > | astFactory->makeASTRoot(currentAST, tmp53_AST); | 
| 898 |  | match(RIGIDBODY); | 
| 899 |  | match(LBRACKET); | 
| 900 |  | intConst(); | 
| 908 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 909 |  | } | 
| 910 |  | else { | 
| 911 | < | goto _loop46; | 
| 911 | > | goto _loop52; | 
| 912 |  | } | 
| 913 |  |  | 
| 914 |  | } | 
| 915 | < | _loop46:; | 
| 915 | > | _loop52:; | 
| 916 |  | } // ( ... )* | 
| 917 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp51_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 918 | < | tmp51_AST = astFactory->create(LT(1)); | 
| 919 | < | astFactory->addASTChild(currentAST, tmp51_AST); | 
| 917 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp57_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 918 | > | tmp57_AST = astFactory->create(LT(1)); | 
| 919 | > | astFactory->addASTChild(currentAST, tmp57_AST); | 
| 920 |  | match(RCURLY); | 
| 921 | < | #line 127 "MDParser.g" | 
| 922 | < | tmp51_AST->setType(ENDBLOCK); | 
| 923 | < | #line 830 "MDParser.cpp" | 
| 921 | > | #line 137 "MDParser.g" | 
| 922 | > | tmp57_AST->setType(ENDBLOCK); | 
| 923 | > | #line 924 "MDParser.cpp" | 
| 924 |  | rigidbodyblock_AST = currentAST.root; | 
| 925 |  | } | 
| 926 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 936 |  | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 937 |  |  | 
| 938 |  | try {      // for error handling | 
| 939 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp52_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 940 | < | tmp52_AST = astFactory->create(LT(1)); | 
| 941 | < | astFactory->makeASTRoot(currentAST, tmp52_AST); | 
| 939 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 940 | > | tmp58_AST = astFactory->create(LT(1)); | 
| 941 | > | astFactory->makeASTRoot(currentAST, tmp58_AST); | 
| 942 |  | match(CUTOFFGROUP); | 
| 943 |  | { | 
| 944 |  | switch ( LA(1)) { | 
| 967 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 968 |  | } | 
| 969 |  | else { | 
| 970 | < | goto _loop51; | 
| 970 | > | goto _loop57; | 
| 971 |  | } | 
| 972 |  |  | 
| 973 |  | } | 
| 974 | < | _loop51:; | 
| 974 | > | _loop57:; | 
| 975 |  | } // ( ... )* | 
| 976 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp56_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 977 | < | tmp56_AST = astFactory->create(LT(1)); | 
| 978 | < | astFactory->addASTChild(currentAST, tmp56_AST); | 
| 976 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp62_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 977 | > | tmp62_AST = astFactory->create(LT(1)); | 
| 978 | > | astFactory->addASTChild(currentAST, tmp62_AST); | 
| 979 |  | match(RCURLY); | 
| 980 | < | #line 134 "MDParser.g" | 
| 981 | < | tmp56_AST->setType(ENDBLOCK); | 
| 982 | < | #line 889 "MDParser.cpp" | 
| 980 | > | #line 144 "MDParser.g" | 
| 981 | > | tmp62_AST->setType(ENDBLOCK); | 
| 982 | > | #line 983 "MDParser.cpp" | 
| 983 |  | cutoffgroupblock_AST = currentAST.root; | 
| 984 |  | } | 
| 985 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 995 |  | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 996 |  |  | 
| 997 |  | try {      // for error handling | 
| 998 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp57_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 999 | < | tmp57_AST = astFactory->create(LT(1)); | 
| 1000 | < | astFactory->makeASTRoot(currentAST, tmp57_AST); | 
| 998 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 999 | > | tmp63_AST = astFactory->create(LT(1)); | 
| 1000 | > | astFactory->makeASTRoot(currentAST, tmp63_AST); | 
| 1001 |  | match(FRAGMENT); | 
| 1002 |  | match(LBRACKET); | 
| 1003 |  | intConst(); | 
| 1011 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1012 |  | } | 
| 1013 |  | else { | 
| 1014 | < | goto _loop55; | 
| 1014 | > | goto _loop61; | 
| 1015 |  | } | 
| 1016 |  |  | 
| 1017 |  | } | 
| 1018 | < | _loop55:; | 
| 1018 | > | _loop61:; | 
| 1019 |  | } // ( ... )* | 
| 1020 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp61_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1021 | < | tmp61_AST = astFactory->create(LT(1)); | 
| 1022 | < | astFactory->addASTChild(currentAST, tmp61_AST); | 
| 1020 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp67_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1021 | > | tmp67_AST = astFactory->create(LT(1)); | 
| 1022 | > | astFactory->addASTChild(currentAST, tmp67_AST); | 
| 1023 |  | match(RCURLY); | 
| 1024 | < | #line 141 "MDParser.g" | 
| 1025 | < | tmp61_AST->setType(ENDBLOCK); | 
| 1026 | < | #line 933 "MDParser.cpp" | 
| 1024 | > | #line 151 "MDParser.g" | 
| 1025 | > | tmp67_AST->setType(ENDBLOCK); | 
| 1026 | > | #line 1027 "MDParser.cpp" | 
| 1027 |  | fragmentblock_AST = currentAST.root; | 
| 1028 |  | } | 
| 1029 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1049 |  | } | 
| 1050 |  | case POSITION: | 
| 1051 |  | { | 
| 1052 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp62_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1053 | < | tmp62_AST = astFactory->create(LT(1)); | 
| 1054 | < | astFactory->makeASTRoot(currentAST, tmp62_AST); | 
| 1052 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1053 | > | tmp68_AST = astFactory->create(LT(1)); | 
| 1054 | > | astFactory->makeASTRoot(currentAST, tmp68_AST); | 
| 1055 |  | match(POSITION); | 
| 1056 |  | match(LPAREN); | 
| 1057 |  | doubleNumberTuple(); | 
| 1063 |  | } | 
| 1064 |  | case ORIENTATION: | 
| 1065 |  | { | 
| 1066 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp66_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1067 | < | tmp66_AST = astFactory->create(LT(1)); | 
| 1068 | < | astFactory->makeASTRoot(currentAST, tmp66_AST); | 
| 1066 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1067 | > | tmp72_AST = astFactory->create(LT(1)); | 
| 1068 | > | astFactory->makeASTRoot(currentAST, tmp72_AST); | 
| 1069 |  | match(ORIENTATION); | 
| 1070 |  | match(LPAREN); | 
| 1071 |  | doubleNumberTuple(); | 
| 1104 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1105 |  | } | 
| 1106 |  | else { | 
| 1107 | < | goto _loop59; | 
| 1107 | > | goto _loop65; | 
| 1108 |  | } | 
| 1109 |  |  | 
| 1110 |  | } | 
| 1111 | < | _loop59:; | 
| 1111 | > | _loop65:; | 
| 1112 |  | } // ( ... )* | 
| 1113 |  | doubleNumberTuple_AST = currentAST.root; | 
| 1114 |  | } | 
| 1135 |  | } | 
| 1136 |  | case MEMBERS: | 
| 1137 |  | { | 
| 1138 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp71_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1139 | < | tmp71_AST = astFactory->create(LT(1)); | 
| 1140 | < | astFactory->makeASTRoot(currentAST, tmp71_AST); | 
| 1138 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp77_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1139 | > | tmp77_AST = astFactory->create(LT(1)); | 
| 1140 | > | astFactory->makeASTRoot(currentAST, tmp77_AST); | 
| 1141 |  | match(MEMBERS); | 
| 1142 |  | match(LPAREN); | 
| 1143 |  | inttuple(); | 
| 1176 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1177 |  | } | 
| 1178 |  | else { | 
| 1179 | < | goto _loop62; | 
| 1179 | > | goto _loop68; | 
| 1180 |  | } | 
| 1181 |  |  | 
| 1182 |  | } | 
| 1183 | < | _loop62:; | 
| 1183 | > | _loop68:; | 
| 1184 |  | } // ( ... )* | 
| 1185 |  | inttuple_AST = currentAST.root; | 
| 1186 |  | } | 
| 1207 |  | } | 
| 1208 |  | case MEMBERS: | 
| 1209 |  | { | 
| 1210 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp76_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1211 | < | tmp76_AST = astFactory->create(LT(1)); | 
| 1212 | < | astFactory->makeASTRoot(currentAST, tmp76_AST); | 
| 1210 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp82_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1211 | > | tmp82_AST = astFactory->create(LT(1)); | 
| 1212 | > | astFactory->makeASTRoot(currentAST, tmp82_AST); | 
| 1213 |  | match(MEMBERS); | 
| 1214 |  | match(LPAREN); | 
| 1215 |  | inttuple(); | 
| 1248 |  | } | 
| 1249 |  | case MEMBERS: | 
| 1250 |  | { | 
| 1251 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1252 | < | tmp80_AST = astFactory->create(LT(1)); | 
| 1253 | < | astFactory->makeASTRoot(currentAST, tmp80_AST); | 
| 1251 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp86_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1252 | > | tmp86_AST = astFactory->create(LT(1)); | 
| 1253 | > | astFactory->makeASTRoot(currentAST, tmp86_AST); | 
| 1254 |  | match(MEMBERS); | 
| 1255 |  | match(LPAREN); | 
| 1256 |  | inttuple(); | 
| 1289 |  | } | 
| 1290 |  | case CENTER: | 
| 1291 |  | { | 
| 1292 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp84_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1293 | < | tmp84_AST = astFactory->create(LT(1)); | 
| 1294 | < | astFactory->makeASTRoot(currentAST, tmp84_AST); | 
| 1292 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp90_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1293 | > | tmp90_AST = astFactory->create(LT(1)); | 
| 1294 | > | astFactory->makeASTRoot(currentAST, tmp90_AST); | 
| 1295 |  | match(CENTER); | 
| 1296 |  | match(LPAREN); | 
| 1297 |  | intConst(); | 
| 1330 |  | } | 
| 1331 |  | case MEMBERS: | 
| 1332 |  | { | 
| 1333 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp88_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1334 | < | tmp88_AST = astFactory->create(LT(1)); | 
| 1335 | < | astFactory->makeASTRoot(currentAST, tmp88_AST); | 
| 1333 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp94_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1334 | > | tmp94_AST = astFactory->create(LT(1)); | 
| 1335 | > | astFactory->makeASTRoot(currentAST, tmp94_AST); | 
| 1336 |  | match(MEMBERS); | 
| 1337 |  | match(LPAREN); | 
| 1338 |  | inttuple(); | 
| 1371 |  | } | 
| 1372 |  | case MEMBERS: | 
| 1373 |  | { | 
| 1374 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp92_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1375 | < | tmp92_AST = astFactory->create(LT(1)); | 
| 1376 | < | astFactory->makeASTRoot(currentAST, tmp92_AST); | 
| 1374 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp98_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1375 | > | tmp98_AST = astFactory->create(LT(1)); | 
| 1376 | > | astFactory->makeASTRoot(currentAST, tmp98_AST); | 
| 1377 |  | match(MEMBERS); | 
| 1378 |  | match(LPAREN); | 
| 1379 |  | inttuple(); | 
| 1452 |  |  | 
| 1453 |  | void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) | 
| 1454 |  | { | 
| 1455 | < | factory.setMaxNodeType(53); | 
| 1455 | > | factory.setMaxNodeType(55); | 
| 1456 |  | } | 
| 1457 |  | const char* MDParser::tokenNames[] = { | 
| 1458 |  | "<0>", | 
| 1475 |  | "\"center\"", | 
| 1476 |  | "\"position\"", | 
| 1477 |  | "\"orientation\"", | 
| 1478 | + | "\"flucQ\"", | 
| 1479 | + | "\"RNEMD\"", | 
| 1480 |  | "ENDBLOCK", | 
| 1481 |  | "ID", | 
| 1482 |  | "ASSIGNEQUAL", | 
| 1514 |  | 0 | 
| 1515 |  | }; | 
| 1516 |  |  | 
| 1517 | < | const unsigned long MDParser::_tokenSet_0_data_[] = { 2097392UL, 0UL, 0UL, 0UL }; | 
| 1518 | < | // "component" "molecule" "zconstraint" "restraint" ID | 
| 1517 | > | const unsigned long MDParser::_tokenSet_0_data_[] = { 11534576UL, 0UL, 0UL, 0UL }; | 
| 1518 | > | // "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" ID | 
| 1519 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 1520 |  | const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL }; | 
| 1521 |  | // EOF | 
| 1522 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 1523 | < | const unsigned long MDParser::_tokenSet_2_data_[] = { 2097394UL, 0UL, 0UL, 0UL }; | 
| 1524 | < | // EOF "component" "molecule" "zconstraint" "restraint" ID | 
| 1523 | > | const unsigned long MDParser::_tokenSet_2_data_[] = { 11534578UL, 0UL, 0UL, 0UL }; | 
| 1524 | > | // EOF "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" | 
| 1525 | > | // ID | 
| 1526 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4); | 
| 1527 | < | const unsigned long MDParser::_tokenSet_3_data_[] = { 70254578UL, 0UL, 0UL, 0UL }; | 
| 1527 | > | const unsigned long MDParser::_tokenSet_3_data_[] = { 281018354UL, 0UL, 0UL, 0UL }; | 
| 1528 |  | // EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend" | 
| 1529 |  | // "torsion" "inversion" "rigidBody" "cutoffGroup" "fragment" "members" | 
| 1530 | < | // "center" "position" "orientation" ID RCURLY | 
| 1530 | > | // "center" "position" "orientation" "flucQ" "RNEMD" ID RCURLY | 
| 1531 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4); | 
| 1532 | < | const unsigned long MDParser::_tokenSet_4_data_[] = { 2162432UL, 0UL, 0UL, 0UL }; | 
| 1532 | > | const unsigned long MDParser::_tokenSet_4_data_[] = { 8453888UL, 0UL, 0UL, 0UL }; | 
| 1533 |  | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1534 |  | // "fragment" ID | 
| 1535 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4); | 
| 1536 | < | const unsigned long MDParser::_tokenSet_5_data_[] = { 8388608UL, 0UL, 0UL, 0UL }; | 
| 1536 | > | const unsigned long MDParser::_tokenSet_5_data_[] = { 33554432UL, 0UL, 0UL, 0UL }; | 
| 1537 |  | // SEMICOLON | 
| 1538 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4); | 
| 1539 | < | const unsigned long MDParser::_tokenSet_6_data_[] = { 3498049536UL, 0UL, 0UL, 0UL }; | 
| 1539 | > | const unsigned long MDParser::_tokenSet_6_data_[] = { 1107296256UL, 3UL, 0UL, 0UL }; | 
| 1540 |  | // SEMICOLON RBRACKET RPAREN COMMA | 
| 1541 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4); | 
| 1542 | < | const unsigned long MDParser::_tokenSet_7_data_[] = { 3229614080UL, 0UL, 0UL, 0UL }; | 
| 1542 | > | const unsigned long MDParser::_tokenSet_7_data_[] = { 33554432UL, 3UL, 0UL, 0UL }; | 
| 1543 |  | // SEMICOLON RPAREN COMMA | 
| 1544 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4); | 
| 1545 | < | const unsigned long MDParser::_tokenSet_8_data_[] = { 69271296UL, 0UL, 0UL, 0UL }; | 
| 1545 | > | const unsigned long MDParser::_tokenSet_8_data_[] = { 276889344UL, 0UL, 0UL, 0UL }; | 
| 1546 |  | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1547 |  | // "fragment" ID RCURLY | 
| 1548 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4); | 
| 1549 | < | const unsigned long MDParser::_tokenSet_9_data_[] = { 2883584UL, 0UL, 0UL, 0UL }; | 
| 1549 | > | const unsigned long MDParser::_tokenSet_9_data_[] = { 9175040UL, 0UL, 0UL, 0UL }; | 
| 1550 |  | // "position" "orientation" ID | 
| 1551 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4); | 
| 1552 | < | const unsigned long MDParser::_tokenSet_10_data_[] = { 69992448UL, 0UL, 0UL, 0UL }; | 
| 1552 | > | const unsigned long MDParser::_tokenSet_10_data_[] = { 277610496UL, 0UL, 0UL, 0UL }; | 
| 1553 |  | // "position" "orientation" ID RCURLY | 
| 1554 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4); | 
| 1555 | < | const unsigned long MDParser::_tokenSet_11_data_[] = { 1073741824UL, 0UL, 0UL, 0UL }; | 
| 1555 | > | const unsigned long MDParser::_tokenSet_11_data_[] = { 0UL, 1UL, 0UL, 0UL }; | 
| 1556 |  | // RPAREN | 
| 1557 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4); | 
| 1558 | < | const unsigned long MDParser::_tokenSet_12_data_[] = { 69271552UL, 0UL, 0UL, 0UL }; | 
| 1558 | > | const unsigned long MDParser::_tokenSet_12_data_[] = { 276889600UL, 0UL, 0UL, 0UL }; | 
| 1559 |  | // "members" ID RCURLY | 
| 1560 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4); | 
| 1561 | < | const unsigned long MDParser::_tokenSet_13_data_[] = { 69337088UL, 0UL, 0UL, 0UL }; | 
| 1561 | > | const unsigned long MDParser::_tokenSet_13_data_[] = { 276955136UL, 0UL, 0UL, 0UL }; | 
| 1562 |  | // "center" ID RCURLY | 
| 1563 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4); | 
| 1564 | < | const unsigned long MDParser::_tokenSet_14_data_[] = { 69206016UL, 0UL, 0UL, 0UL }; | 
| 1564 | > | const unsigned long MDParser::_tokenSet_14_data_[] = { 276824064UL, 0UL, 0UL, 0UL }; | 
| 1565 |  | // ID RCURLY | 
| 1566 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4); | 
| 1567 | < | const unsigned long MDParser::_tokenSet_15_data_[] = { 3221225472UL, 0UL, 0UL, 0UL }; | 
| 1567 | > | const unsigned long MDParser::_tokenSet_15_data_[] = { 0UL, 3UL, 0UL, 0UL }; | 
| 1568 |  | // RPAREN COMMA | 
| 1569 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4); | 
| 1570 |  |  |