| 1 | < | /* $ANTLR 2.7.7 (20101020): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 1 | > | /* $ANTLR 2.7.7 (20121118): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 2 |  | #include "MDParser.hpp" | 
| 3 |  | #include <antlr/NoViableAltException.hpp> | 
| 4 |  | #include <antlr/SemanticException.hpp> | 
| 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 67 "MDParser.g" | 
| 191 | > | #line 75 "MDParser.g" | 
| 192 |  | tmp6_AST->setType(ENDBLOCK); | 
| 193 | < | #line 173 "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 _loop18; | 
| 221 | > | goto _loop27; | 
| 222 |  | } | 
| 223 |  |  | 
| 224 |  | } | 
| 225 | < | _loop18:; | 
| 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 76 "MDParser.g" | 
| 231 | > | #line 93 "MDParser.g" | 
| 232 |  | tmp9_AST->setType(ENDBLOCK); | 
| 233 | < | #line 213 "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 70 "MDParser.g" | 
| 271 | > | #line 78 "MDParser.g" | 
| 272 |  | tmp12_AST->setType(ENDBLOCK); | 
| 273 | < | #line 253 "MDParser.cpp" | 
| 273 | > | #line 274 "MDParser.cpp" | 
| 274 |  | zconstraintblock_AST = currentAST.root; | 
| 275 |  | } | 
| 276 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 308 |  | tmp15_AST = astFactory->create(LT(1)); | 
| 309 |  | astFactory->addASTChild(currentAST, tmp15_AST); | 
| 310 |  | match(RCURLY); | 
| 311 | < | #line 73 "MDParser.g" | 
| 311 | > | #line 81 "MDParser.g" | 
| 312 |  | tmp15_AST->setType(ENDBLOCK); | 
| 313 | < | #line 293 "MDParser.cpp" | 
| 313 | > | #line 314 "MDParser.cpp" | 
| 314 |  | restraintblock_AST = currentAST.root; | 
| 315 |  | } | 
| 316 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& 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 84 "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 87 "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 90 "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 tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 476 | < | tmp16_AST = astFactory->create(LT(1)); | 
| 477 | < | astFactory->addASTChild(currentAST, tmp16_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 tmp17_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 485 | < | tmp17_AST = astFactory->create(LT(1)); | 
| 486 | < | astFactory->addASTChild(currentAST, tmp17_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 tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 514 | < | tmp18_AST = astFactory->create(LT(1)); | 
| 515 | < | astFactory->addASTChild(currentAST, tmp18_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 tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 523 | < | tmp19_AST = astFactory->create(LT(1)); | 
| 524 | < | astFactory->addASTChild(currentAST, tmp19_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 tmp20_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 552 | < | tmp20_AST = astFactory->create(LT(1)); | 
| 553 | < | astFactory->addASTChild(currentAST, tmp20_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 tmp21_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 561 | < | tmp21_AST = astFactory->create(LT(1)); | 
| 562 | < | astFactory->addASTChild(currentAST, tmp21_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; | 
| 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() { | 
| 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 tmp22_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 707 | < | tmp22_AST = astFactory->create(LT(1)); | 
| 708 | < | astFactory->makeASTRoot(currentAST, tmp22_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 _loop22; | 
| 722 | > | goto _loop31; | 
| 723 |  | } | 
| 724 |  |  | 
| 725 |  | } | 
| 726 | < | _loop22:; | 
| 726 | > | _loop31:; | 
| 727 |  | } // ( ... )* | 
| 728 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 729 | < | tmp26_AST = astFactory->create(LT(1)); | 
| 730 | < | astFactory->addASTChild(currentAST, tmp26_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 90 "MDParser.g" | 
| 733 | < | tmp26_AST->setType(ENDBLOCK); | 
| 734 | < | #line 550 "MDParser.cpp" | 
| 732 | > | #line 107 "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) { | 
| 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 tmp27_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 751 | < | tmp27_AST = astFactory->create(LT(1)); | 
| 752 | < | astFactory->makeASTRoot(currentAST, tmp27_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 _loop27; | 
| 781 | > | goto _loop36; | 
| 782 |  | } | 
| 783 |  |  | 
| 784 |  | } | 
| 785 | < | _loop27:; | 
| 785 | > | _loop36:; | 
| 786 |  | } // ( ... )* | 
| 787 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 788 | < | tmp31_AST = astFactory->create(LT(1)); | 
| 789 | < | astFactory->addASTChild(currentAST, tmp31_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 99 "MDParser.g" | 
| 792 | < | tmp31_AST->setType(ENDBLOCK); | 
| 793 | < | #line 609 "MDParser.cpp" | 
| 791 | > | #line 116 "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) { | 
| 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 tmp32_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 810 | < | tmp32_AST = astFactory->create(LT(1)); | 
| 811 | < | astFactory->makeASTRoot(currentAST, tmp32_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 _loop32; | 
| 840 | > | goto _loop41; | 
| 841 |  | } | 
| 842 |  |  | 
| 843 |  | } | 
| 844 | < | _loop32:; | 
| 844 | > | _loop41:; | 
| 845 |  | } // ( ... )* | 
| 846 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp36_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 847 | < | tmp36_AST = astFactory->create(LT(1)); | 
| 848 | < | astFactory->addASTChild(currentAST, tmp36_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 106 "MDParser.g" | 
| 851 | < | tmp36_AST->setType(ENDBLOCK); | 
| 852 | < | #line 668 "MDParser.cpp" | 
| 850 | > | #line 123 "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) { | 
| 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 tmp37_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 869 | < | tmp37_AST = astFactory->create(LT(1)); | 
| 870 | < | astFactory->makeASTRoot(currentAST, tmp37_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 _loop37; | 
| 899 | > | goto _loop46; | 
| 900 |  | } | 
| 901 |  |  | 
| 902 |  | } | 
| 903 | < | _loop37:; | 
| 903 | > | _loop46:; | 
| 904 |  | } // ( ... )* | 
| 905 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp41_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 906 | < | tmp41_AST = astFactory->create(LT(1)); | 
| 907 | < | astFactory->addASTChild(currentAST, tmp41_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 113 "MDParser.g" | 
| 910 | < | tmp41_AST->setType(ENDBLOCK); | 
| 911 | < | #line 727 "MDParser.cpp" | 
| 909 | > | #line 130 "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) { | 
| 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 tmp42_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 928 | < | tmp42_AST = astFactory->create(LT(1)); | 
| 929 | < | astFactory->makeASTRoot(currentAST, tmp42_AST); | 
| 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)) { | 
| 950 |  | match(LCURLY); | 
| 951 |  | { // ( ... )* | 
| 952 |  | for (;;) { | 
| 953 | < | if ((LA(1) == CENTER || LA(1) == ID)) { | 
| 953 | > | if ((_tokenSet_10.member(LA(1)))) { | 
| 954 |  | inversionstatement(); | 
| 955 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 956 |  | } | 
| 957 |  | else { | 
| 958 | < | goto _loop42; | 
| 958 | > | goto _loop51; | 
| 959 |  | } | 
| 960 |  |  | 
| 961 |  | } | 
| 962 | < | _loop42:; | 
| 962 | > | _loop51:; | 
| 963 |  | } // ( ... )* | 
| 964 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp46_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 965 | < | tmp46_AST = astFactory->create(LT(1)); | 
| 966 | < | astFactory->addASTChild(currentAST, tmp46_AST); | 
| 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 120 "MDParser.g" | 
| 969 | < | tmp46_AST->setType(ENDBLOCK); | 
| 970 | < | #line 786 "MDParser.cpp" | 
| 968 | > | #line 137 "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) { | 
| 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 tmp47_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 987 | < | tmp47_AST = astFactory->create(LT(1)); | 
| 988 | < | astFactory->makeASTRoot(currentAST, tmp47_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 _loop46; | 
| 1002 | > | goto _loop55; | 
| 1003 |  | } | 
| 1004 |  |  | 
| 1005 |  | } | 
| 1006 | < | _loop46:; | 
| 1006 | > | _loop55:; | 
| 1007 |  | } // ( ... )* | 
| 1008 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp51_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1009 | < | tmp51_AST = astFactory->create(LT(1)); | 
| 1010 | < | astFactory->addASTChild(currentAST, tmp51_AST); | 
| 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 127 "MDParser.g" | 
| 1013 | < | tmp51_AST->setType(ENDBLOCK); | 
| 1014 | < | #line 830 "MDParser.cpp" | 
| 1012 | > | #line 145 "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) { | 
| 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 tmp52_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1031 | < | tmp52_AST = astFactory->create(LT(1)); | 
| 1032 | < | astFactory->makeASTRoot(currentAST, tmp52_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 _loop51; | 
| 1061 | > | goto _loop60; | 
| 1062 |  | } | 
| 1063 |  |  | 
| 1064 |  | } | 
| 1065 | < | _loop51:; | 
| 1065 | > | _loop60:; | 
| 1066 |  | } // ( ... )* | 
| 1067 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp56_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1068 | < | tmp56_AST = astFactory->create(LT(1)); | 
| 1069 | < | astFactory->addASTChild(currentAST, tmp56_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 134 "MDParser.g" | 
| 1072 | < | tmp56_AST->setType(ENDBLOCK); | 
| 1073 | < | #line 889 "MDParser.cpp" | 
| 1071 | > | #line 152 "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) { | 
| 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 tmp57_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1090 | < | tmp57_AST = astFactory->create(LT(1)); | 
| 1091 | < | astFactory->makeASTRoot(currentAST, tmp57_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 _loop55; | 
| 1105 | > | goto _loop64; | 
| 1106 |  | } | 
| 1107 |  |  | 
| 1108 |  | } | 
| 1109 | < | _loop55:; | 
| 1109 | > | _loop64:; | 
| 1110 |  | } // ( ... )* | 
| 1111 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp61_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1112 | < | tmp61_AST = astFactory->create(LT(1)); | 
| 1113 | < | astFactory->addASTChild(currentAST, tmp61_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 141 "MDParser.g" | 
| 1116 | < | tmp61_AST->setType(ENDBLOCK); | 
| 1117 | < | #line 933 "MDParser.cpp" | 
| 1115 | > | #line 159 "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) { | 
| 1140 |  | } | 
| 1141 |  | case POSITION: | 
| 1142 |  | { | 
| 1143 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp62_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1144 | < | tmp62_AST = astFactory->create(LT(1)); | 
| 1145 | < | astFactory->makeASTRoot(currentAST, tmp62_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 tmp66_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1158 | < | tmp66_AST = astFactory->create(LT(1)); | 
| 1159 | < | astFactory->makeASTRoot(currentAST, tmp66_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 | < | recover(ex,_tokenSet_10); | 
| 1177 | > | recover(ex,_tokenSet_11); | 
| 1178 |  | } | 
| 1179 |  | returnAST = atomstatement_AST; | 
| 1180 |  | } | 
| 1195 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1196 |  | } | 
| 1197 |  | else { | 
| 1198 | < | goto _loop59; | 
| 1198 | > | goto _loop68; | 
| 1199 |  | } | 
| 1200 |  |  | 
| 1201 |  | } | 
| 1202 | < | _loop59:; | 
| 1202 | > | _loop68:; | 
| 1203 |  | } // ( ... )* | 
| 1204 |  | doubleNumberTuple_AST = currentAST.root; | 
| 1205 |  | } | 
| 1206 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1207 |  | reportError(ex); | 
| 1208 | < | recover(ex,_tokenSet_11); | 
| 1208 | > | recover(ex,_tokenSet_12); | 
| 1209 |  | } | 
| 1210 |  | returnAST = doubleNumberTuple_AST; | 
| 1211 |  | } | 
| 1226 |  | } | 
| 1227 |  | case MEMBERS: | 
| 1228 |  | { | 
| 1229 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp71_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1230 | < | tmp71_AST = astFactory->create(LT(1)); | 
| 1231 | < | astFactory->makeASTRoot(currentAST, tmp71_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 | < | recover(ex,_tokenSet_12); | 
| 1249 | > | recover(ex,_tokenSet_13); | 
| 1250 |  | } | 
| 1251 |  | returnAST = bondstatement_AST; | 
| 1252 |  | } | 
| 1267 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1268 |  | } | 
| 1269 |  | else { | 
| 1270 | < | goto _loop62; | 
| 1270 | > | goto _loop71; | 
| 1271 |  | } | 
| 1272 |  |  | 
| 1273 |  | } | 
| 1274 | < | _loop62:; | 
| 1274 | > | _loop71:; | 
| 1275 |  | } // ( ... )* | 
| 1276 |  | inttuple_AST = currentAST.root; | 
| 1277 |  | } | 
| 1278 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1279 |  | reportError(ex); | 
| 1280 | < | recover(ex,_tokenSet_11); | 
| 1280 | > | recover(ex,_tokenSet_12); | 
| 1281 |  | } | 
| 1282 |  | returnAST = inttuple_AST; | 
| 1283 |  | } | 
| 1298 |  | } | 
| 1299 |  | case MEMBERS: | 
| 1300 |  | { | 
| 1301 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp76_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1302 | < | tmp76_AST = astFactory->create(LT(1)); | 
| 1303 | < | astFactory->makeASTRoot(currentAST, tmp76_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 | < | recover(ex,_tokenSet_12); | 
| 1321 | > | recover(ex,_tokenSet_13); | 
| 1322 |  | } | 
| 1323 |  | returnAST = bendstatement_AST; | 
| 1324 |  | } | 
| 1339 |  | } | 
| 1340 |  | case MEMBERS: | 
| 1341 |  | { | 
| 1342 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1343 | < | tmp80_AST = astFactory->create(LT(1)); | 
| 1344 | < | astFactory->makeASTRoot(currentAST, tmp80_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 | < | recover(ex,_tokenSet_12); | 
| 1362 | > | recover(ex,_tokenSet_13); | 
| 1363 |  | } | 
| 1364 |  | returnAST = torsionstatement_AST; | 
| 1365 |  | } | 
| 1380 |  | } | 
| 1381 |  | case CENTER: | 
| 1382 |  | { | 
| 1383 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp84_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1384 | < | tmp84_AST = astFactory->create(LT(1)); | 
| 1385 | < | astFactory->makeASTRoot(currentAST, tmp84_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(); | 
| 1392 |  | inversionstatement_AST = currentAST.root; | 
| 1393 |  | break; | 
| 1394 |  | } | 
| 1395 | + | case SATELLITES: | 
| 1396 | + | { | 
| 1397 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp101_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1398 | + | tmp101_AST = astFactory->create(LT(1)); | 
| 1399 | + | astFactory->makeASTRoot(currentAST, tmp101_AST); | 
| 1400 | + | match(SATELLITES); | 
| 1401 | + | match(LPAREN); | 
| 1402 | + | inttuple(); | 
| 1403 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1404 | + | match(RPAREN); | 
| 1405 | + | match(SEMICOLON); | 
| 1406 | + | inversionstatement_AST = currentAST.root; | 
| 1407 | + | break; | 
| 1408 | + | } | 
| 1409 |  | default: | 
| 1410 |  | { | 
| 1411 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1414 |  | } | 
| 1415 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1416 |  | reportError(ex); | 
| 1417 | < | recover(ex,_tokenSet_13); | 
| 1417 | > | recover(ex,_tokenSet_14); | 
| 1418 |  | } | 
| 1419 |  | returnAST = inversionstatement_AST; | 
| 1420 |  | } | 
| 1435 |  | } | 
| 1436 |  | case MEMBERS: | 
| 1437 |  | { | 
| 1438 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp88_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1439 | < | tmp88_AST = astFactory->create(LT(1)); | 
| 1440 | < | astFactory->makeASTRoot(currentAST, tmp88_AST); | 
| 1438 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp105_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1439 | > | tmp105_AST = astFactory->create(LT(1)); | 
| 1440 | > | astFactory->makeASTRoot(currentAST, tmp105_AST); | 
| 1441 |  | match(MEMBERS); | 
| 1442 |  | match(LPAREN); | 
| 1443 |  | inttuple(); | 
| 1455 |  | } | 
| 1456 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1457 |  | reportError(ex); | 
| 1458 | < | recover(ex,_tokenSet_12); | 
| 1458 | > | recover(ex,_tokenSet_13); | 
| 1459 |  | } | 
| 1460 |  | returnAST = rigidbodystatement_AST; | 
| 1461 |  | } | 
| 1476 |  | } | 
| 1477 |  | case MEMBERS: | 
| 1478 |  | { | 
| 1479 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp92_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1480 | < | tmp92_AST = astFactory->create(LT(1)); | 
| 1481 | < | astFactory->makeASTRoot(currentAST, tmp92_AST); | 
| 1479 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp109_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1480 | > | tmp109_AST = astFactory->create(LT(1)); | 
| 1481 | > | astFactory->makeASTRoot(currentAST, tmp109_AST); | 
| 1482 |  | match(MEMBERS); | 
| 1483 |  | match(LPAREN); | 
| 1484 |  | inttuple(); | 
| 1496 |  | } | 
| 1497 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1498 |  | reportError(ex); | 
| 1499 | < | recover(ex,_tokenSet_12); | 
| 1499 | > | recover(ex,_tokenSet_13); | 
| 1500 |  | } | 
| 1501 |  | returnAST = cutoffgroupstatement_AST; | 
| 1502 |  | } | 
| 1513 |  | } | 
| 1514 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1515 |  | reportError(ex); | 
| 1516 | < | recover(ex,_tokenSet_14); | 
| 1516 | > | recover(ex,_tokenSet_15); | 
| 1517 |  | } | 
| 1518 |  | returnAST = fragmentstatement_AST; | 
| 1519 |  | } | 
| 1550 |  | } | 
| 1551 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1552 |  | reportError(ex); | 
| 1553 | < | recover(ex,_tokenSet_15); | 
| 1553 | > | recover(ex,_tokenSet_16); | 
| 1554 |  | } | 
| 1555 |  | returnAST = doubleNumber_AST; | 
| 1556 |  | } | 
| 1557 |  |  | 
| 1558 |  | void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) | 
| 1559 |  | { | 
| 1560 | < | factory.setMaxNodeType(53); | 
| 1560 | > | factory.setMaxNodeType(57); | 
| 1561 |  | } | 
| 1562 |  | const char* MDParser::tokenNames[] = { | 
| 1563 |  | "<0>", | 
| 1578 |  | "\"fragment\"", | 
| 1579 |  | "\"members\"", | 
| 1580 |  | "\"center\"", | 
| 1581 | + | "\"satellites\"", | 
| 1582 |  | "\"position\"", | 
| 1583 |  | "\"orientation\"", | 
| 1584 | + | "\"flucQ\"", | 
| 1585 | + | "\"RNEMD\"", | 
| 1586 | + | "\"minimizer\"", | 
| 1587 |  | "ENDBLOCK", | 
| 1588 |  | "ID", | 
| 1589 |  | "ASSIGNEQUAL", | 
| 1621 |  | 0 | 
| 1622 |  | }; | 
| 1623 |  |  | 
| 1624 | < | const unsigned long MDParser::_tokenSet_0_data_[] = { 2097392UL, 0UL, 0UL, 0UL }; | 
| 1625 | < | // "component" "molecule" "zconstraint" "restraint" ID | 
| 1624 | > | const unsigned long MDParser::_tokenSet_0_data_[] = { 48234736UL, 0UL, 0UL, 0UL }; | 
| 1625 | > | // "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer" | 
| 1626 | > | // ID | 
| 1627 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 1628 |  | const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL }; | 
| 1629 |  | // EOF | 
| 1630 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 1631 | < | const unsigned long MDParser::_tokenSet_2_data_[] = { 2097394UL, 0UL, 0UL, 0UL }; | 
| 1632 | < | // EOF "component" "molecule" "zconstraint" "restraint" ID | 
| 1631 | > | const unsigned long MDParser::_tokenSet_2_data_[] = { 48234738UL, 0UL, 0UL, 0UL }; | 
| 1632 | > | // EOF "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" | 
| 1633 | > | // "minimizer" ID | 
| 1634 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4); | 
| 1635 | < | const unsigned long MDParser::_tokenSet_3_data_[] = { 70254578UL, 0UL, 0UL, 0UL }; | 
| 1635 | > | const unsigned long MDParser::_tokenSet_3_data_[] = { 1124073458UL, 0UL, 0UL, 0UL }; | 
| 1636 |  | // EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend" | 
| 1637 |  | // "torsion" "inversion" "rigidBody" "cutoffGroup" "fragment" "members" | 
| 1638 | < | // "center" "position" "orientation" ID RCURLY | 
| 1638 | > | // "center" "satellites" "position" "orientation" "flucQ" "RNEMD" "minimizer" | 
| 1639 | > | // ID RCURLY | 
| 1640 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4); | 
| 1641 | < | const unsigned long MDParser::_tokenSet_4_data_[] = { 2162432UL, 0UL, 0UL, 0UL }; | 
| 1641 | > | const unsigned long MDParser::_tokenSet_4_data_[] = { 33619712UL, 0UL, 0UL, 0UL }; | 
| 1642 |  | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1643 |  | // "fragment" ID | 
| 1644 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4); | 
| 1645 | < | const unsigned long MDParser::_tokenSet_5_data_[] = { 8388608UL, 0UL, 0UL, 0UL }; | 
| 1645 | > | const unsigned long MDParser::_tokenSet_5_data_[] = { 134217728UL, 0UL, 0UL, 0UL }; | 
| 1646 |  | // SEMICOLON | 
| 1647 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4); | 
| 1648 | < | const unsigned long MDParser::_tokenSet_6_data_[] = { 3498049536UL, 0UL, 0UL, 0UL }; | 
| 1648 | > | const unsigned long MDParser::_tokenSet_6_data_[] = { 134217728UL, 13UL, 0UL, 0UL }; | 
| 1649 |  | // SEMICOLON RBRACKET RPAREN COMMA | 
| 1650 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4); | 
| 1651 | < | const unsigned long MDParser::_tokenSet_7_data_[] = { 3229614080UL, 0UL, 0UL, 0UL }; | 
| 1651 | > | const unsigned long MDParser::_tokenSet_7_data_[] = { 134217728UL, 12UL, 0UL, 0UL }; | 
| 1652 |  | // SEMICOLON RPAREN COMMA | 
| 1653 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4); | 
| 1654 | < | const unsigned long MDParser::_tokenSet_8_data_[] = { 69271296UL, 0UL, 0UL, 0UL }; | 
| 1654 | > | const unsigned long MDParser::_tokenSet_8_data_[] = { 1107361536UL, 0UL, 0UL, 0UL }; | 
| 1655 |  | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1656 |  | // "fragment" ID RCURLY | 
| 1657 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4); | 
| 1658 | < | const unsigned long MDParser::_tokenSet_9_data_[] = { 2883584UL, 0UL, 0UL, 0UL }; | 
| 1658 | > | const unsigned long MDParser::_tokenSet_9_data_[] = { 35127296UL, 0UL, 0UL, 0UL }; | 
| 1659 |  | // "position" "orientation" ID | 
| 1660 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4); | 
| 1661 | < | const unsigned long MDParser::_tokenSet_10_data_[] = { 69992448UL, 0UL, 0UL, 0UL }; | 
| 1662 | < | // "position" "orientation" ID RCURLY | 
| 1661 | > | const unsigned long MDParser::_tokenSet_10_data_[] = { 33947648UL, 0UL, 0UL, 0UL }; | 
| 1662 | > | // "center" "satellites" ID | 
| 1663 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4); | 
| 1664 | < | const unsigned long MDParser::_tokenSet_11_data_[] = { 1073741824UL, 0UL, 0UL, 0UL }; | 
| 1665 | < | // RPAREN | 
| 1664 | > | const unsigned long MDParser::_tokenSet_11_data_[] = { 1108869120UL, 0UL, 0UL, 0UL }; | 
| 1665 | > | // "position" "orientation" ID RCURLY | 
| 1666 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4); | 
| 1667 | < | const unsigned long MDParser::_tokenSet_12_data_[] = { 69271552UL, 0UL, 0UL, 0UL }; | 
| 1668 | < | // "members" ID RCURLY | 
| 1667 | > | const unsigned long MDParser::_tokenSet_12_data_[] = { 0UL, 4UL, 0UL, 0UL }; | 
| 1668 | > | // RPAREN | 
| 1669 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4); | 
| 1670 | < | const unsigned long MDParser::_tokenSet_13_data_[] = { 69337088UL, 0UL, 0UL, 0UL }; | 
| 1671 | < | // "center" ID RCURLY | 
| 1670 | > | const unsigned long MDParser::_tokenSet_13_data_[] = { 1107361792UL, 0UL, 0UL, 0UL }; | 
| 1671 | > | // "members" ID RCURLY | 
| 1672 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4); | 
| 1673 | < | const unsigned long MDParser::_tokenSet_14_data_[] = { 69206016UL, 0UL, 0UL, 0UL }; | 
| 1674 | < | // ID RCURLY | 
| 1673 | > | const unsigned long MDParser::_tokenSet_14_data_[] = { 1107689472UL, 0UL, 0UL, 0UL }; | 
| 1674 | > | // "center" "satellites" ID RCURLY | 
| 1675 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4); | 
| 1676 | < | const unsigned long MDParser::_tokenSet_15_data_[] = { 3221225472UL, 0UL, 0UL, 0UL }; | 
| 1677 | < | // RPAREN COMMA | 
| 1676 | > | const unsigned long MDParser::_tokenSet_15_data_[] = { 1107296256UL, 0UL, 0UL, 0UL }; | 
| 1677 | > | // ID RCURLY | 
| 1678 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4); | 
| 1679 | + | const unsigned long MDParser::_tokenSet_16_data_[] = { 0UL, 12UL, 0UL, 0UL }; | 
| 1680 | + | // RPAREN COMMA | 
| 1681 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_16(_tokenSet_16_data_,4); | 
| 1682 |  |  | 
| 1683 |  |  |