| 160 |  | tmp6_AST = astFactory->create(LT(1)); | 
| 161 |  | astFactory->addASTChild(currentAST, tmp6_AST); | 
| 162 |  | match(RCURLY); | 
| 163 | < | #line 62 "MDParser.g" | 
| 163 | > | #line 63 "MDParser.g" | 
| 164 |  | tmp6_AST->setType(ENDBLOCK); | 
| 165 |  | #line 166 "MDParser.cpp" | 
| 166 |  | componentblock_AST = currentAST.root; | 
| 200 |  | tmp9_AST = astFactory->create(LT(1)); | 
| 201 |  | astFactory->addASTChild(currentAST, tmp9_AST); | 
| 202 |  | match(RCURLY); | 
| 203 | < | #line 68 "MDParser.g" | 
| 203 | > | #line 69 "MDParser.g" | 
| 204 |  | tmp9_AST->setType(ENDBLOCK); | 
| 205 |  | #line 206 "MDParser.cpp" | 
| 206 |  | moleculeblock_AST = currentAST.root; | 
| 240 |  | tmp12_AST = astFactory->create(LT(1)); | 
| 241 |  | astFactory->addASTChild(currentAST, tmp12_AST); | 
| 242 |  | match(RCURLY); | 
| 243 | < | #line 65 "MDParser.g" | 
| 243 | > | #line 66 "MDParser.g" | 
| 244 |  | tmp12_AST->setType(ENDBLOCK); | 
| 245 |  | #line 246 "MDParser.cpp" | 
| 246 |  | zconstraintblock_AST = currentAST.root; | 
| 259 |  |  | 
| 260 |  | try {      // for error handling | 
| 261 |  | switch ( LA(1)) { | 
| 262 | < | case OCTALINT: | 
| 263 | < | case DECIMALINT: | 
| 264 | < | case HEXADECIMALINT: | 
| 265 | < | case FLOATONE: | 
| 266 | < | case FLOATTWO: | 
| 262 | > | case NUM_INT: | 
| 263 | > | case NUM_LONG: | 
| 264 |  | { | 
| 265 | < | signedNumber(); | 
| 265 | > | intConst(); | 
| 266 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 267 |  | constant_AST = currentAST.root; | 
| 268 |  | break; | 
| 269 |  | } | 
| 270 | + | case NUM_FLOAT: | 
| 271 | + | case NUM_DOUBLE: | 
| 272 | + | { | 
| 273 | + | floatConst(); | 
| 274 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 275 | + | constant_AST = currentAST.root; | 
| 276 | + | break; | 
| 277 | + | } | 
| 278 |  | case ID: | 
| 279 |  | { | 
| 280 |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 306 |  | returnAST = constant_AST; | 
| 307 |  | } | 
| 308 |  |  | 
| 309 | < | void MDParser::signedNumber() { | 
| 309 | > | void MDParser::intConst() { | 
| 310 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 311 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 312 | < | ANTLR_USE_NAMESPACE(antlr)RefAST signedNumber_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 312 | > | ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 313 |  |  | 
| 314 |  | try {      // for error handling | 
| 310 | – | { | 
| 315 |  | switch ( LA(1)) { | 
| 316 | < | case OCTALINT: | 
| 313 | < | case DECIMALINT: | 
| 314 | < | case HEXADECIMALINT: | 
| 316 | > | case NUM_INT: | 
| 317 |  | { | 
| 318 | < | intConst(); | 
| 319 | < | astFactory->addASTChild( currentAST, returnAST ); | 
| 318 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 319 | > | tmp15_AST = astFactory->create(LT(1)); | 
| 320 | > | astFactory->addASTChild(currentAST, tmp15_AST); | 
| 321 | > | match(NUM_INT); | 
| 322 | > | intConst_AST = currentAST.root; | 
| 323 |  | break; | 
| 324 |  | } | 
| 325 | < | case FLOATONE: | 
| 321 | < | case FLOATTWO: | 
| 325 | > | case NUM_LONG: | 
| 326 |  | { | 
| 327 | < | floatConst(); | 
| 328 | < | astFactory->addASTChild( currentAST, returnAST ); | 
| 327 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 328 | > | tmp16_AST = astFactory->create(LT(1)); | 
| 329 | > | astFactory->addASTChild(currentAST, tmp16_AST); | 
| 330 | > | match(NUM_LONG); | 
| 331 | > | intConst_AST = currentAST.root; | 
| 332 |  | break; | 
| 333 |  | } | 
| 334 |  | default: | 
| 336 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 337 |  | } | 
| 338 |  | } | 
| 332 | – | } | 
| 333 | – | signedNumber_AST = currentAST.root; | 
| 339 |  | } | 
| 340 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 341 |  | reportError(ex); | 
| 342 |  | recover(ex,_tokenSet_6); | 
| 343 |  | } | 
| 344 | < | returnAST = signedNumber_AST; | 
| 344 | > | returnAST = intConst_AST; | 
| 345 |  | } | 
| 346 |  |  | 
| 347 | + | void MDParser::floatConst() { | 
| 348 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 349 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 350 | + | ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 351 | + |  | 
| 352 | + | try {      // for error handling | 
| 353 | + | switch ( LA(1)) { | 
| 354 | + | case NUM_FLOAT: | 
| 355 | + | { | 
| 356 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 357 | + | tmp17_AST = astFactory->create(LT(1)); | 
| 358 | + | astFactory->addASTChild(currentAST, tmp17_AST); | 
| 359 | + | match(NUM_FLOAT); | 
| 360 | + | floatConst_AST = currentAST.root; | 
| 361 | + | break; | 
| 362 | + | } | 
| 363 | + | case NUM_DOUBLE: | 
| 364 | + | { | 
| 365 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 366 | + | tmp18_AST = astFactory->create(LT(1)); | 
| 367 | + | astFactory->addASTChild(currentAST, tmp18_AST); | 
| 368 | + | match(NUM_DOUBLE); | 
| 369 | + | floatConst_AST = currentAST.root; | 
| 370 | + | break; | 
| 371 | + | } | 
| 372 | + | default: | 
| 373 | + | { | 
| 374 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 375 | + | } | 
| 376 | + | } | 
| 377 | + | } | 
| 378 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 379 | + | reportError(ex); | 
| 380 | + | recover(ex,_tokenSet_7); | 
| 381 | + | } | 
| 382 | + | returnAST = floatConst_AST; | 
| 383 | + | } | 
| 384 | + |  | 
| 385 |  | void MDParser::moleculestatement() { | 
| 386 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 387 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 453 |  | } | 
| 454 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 455 |  | reportError(ex); | 
| 456 | < | recover(ex,_tokenSet_7); | 
| 456 | > | recover(ex,_tokenSet_8); | 
| 457 |  | } | 
| 458 |  | returnAST = moleculestatement_AST; | 
| 459 |  | } | 
| 464 |  | ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 465 |  |  | 
| 466 |  | try {      // for error handling | 
| 467 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 468 | < | tmp15_AST = astFactory->create(LT(1)); | 
| 469 | < | astFactory->makeASTRoot(currentAST, tmp15_AST); | 
| 467 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 468 | > | tmp19_AST = astFactory->create(LT(1)); | 
| 469 | > | astFactory->makeASTRoot(currentAST, tmp19_AST); | 
| 470 |  | match(ATOM); | 
| 471 |  | match(LBRACKET); | 
| 472 |  | intConst(); | 
| 475 |  | match(LCURLY); | 
| 476 |  | { // ( ... )* | 
| 477 |  | for (;;) { | 
| 478 | < | if ((_tokenSet_8.member(LA(1)))) { | 
| 478 | > | if ((_tokenSet_9.member(LA(1)))) { | 
| 479 |  | atomstatement(); | 
| 480 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 481 |  | } | 
| 486 |  | } | 
| 487 |  | _loop19:; | 
| 488 |  | } // ( ... )* | 
| 489 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 490 | < | tmp19_AST = astFactory->create(LT(1)); | 
| 491 | < | astFactory->addASTChild(currentAST, tmp19_AST); | 
| 489 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 490 | > | tmp23_AST = astFactory->create(LT(1)); | 
| 491 | > | astFactory->addASTChild(currentAST, tmp23_AST); | 
| 492 |  | match(RCURLY); | 
| 493 | < | #line 81 "MDParser.g" | 
| 494 | < | tmp19_AST->setType(ENDBLOCK); | 
| 495 | < | #line 453 "MDParser.cpp" | 
| 493 | > | #line 82 "MDParser.g" | 
| 494 | > | tmp23_AST->setType(ENDBLOCK); | 
| 495 | > | #line 496 "MDParser.cpp" | 
| 496 |  | atomblock_AST = currentAST.root; | 
| 497 |  | } | 
| 498 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 499 |  | reportError(ex); | 
| 500 | < | recover(ex,_tokenSet_7); | 
| 500 | > | recover(ex,_tokenSet_8); | 
| 501 |  | } | 
| 502 |  | returnAST = atomblock_AST; | 
| 503 |  | } | 
| 508 |  | ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 509 |  |  | 
| 510 |  | try {      // for error handling | 
| 511 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 512 | < | tmp20_AST = astFactory->create(LT(1)); | 
| 513 | < | astFactory->makeASTRoot(currentAST, tmp20_AST); | 
| 511 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 512 | > | tmp24_AST = astFactory->create(LT(1)); | 
| 513 | > | astFactory->makeASTRoot(currentAST, tmp24_AST); | 
| 514 |  | match(BOND); | 
| 515 |  | { | 
| 516 |  | switch ( LA(1)) { | 
| 545 |  | } | 
| 546 |  | _loop24:; | 
| 547 |  | } // ( ... )* | 
| 548 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 549 | < | tmp24_AST = astFactory->create(LT(1)); | 
| 550 | < | astFactory->addASTChild(currentAST, tmp24_AST); | 
| 548 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 549 | > | tmp28_AST = astFactory->create(LT(1)); | 
| 550 | > | astFactory->addASTChild(currentAST, tmp28_AST); | 
| 551 |  | match(RCURLY); | 
| 552 | < | #line 90 "MDParser.g" | 
| 553 | < | tmp24_AST->setType(ENDBLOCK); | 
| 554 | < | #line 512 "MDParser.cpp" | 
| 552 | > | #line 91 "MDParser.g" | 
| 553 | > | tmp28_AST->setType(ENDBLOCK); | 
| 554 | > | #line 555 "MDParser.cpp" | 
| 555 |  | bondblock_AST = currentAST.root; | 
| 556 |  | } | 
| 557 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 558 |  | reportError(ex); | 
| 559 | < | recover(ex,_tokenSet_7); | 
| 559 | > | recover(ex,_tokenSet_8); | 
| 560 |  | } | 
| 561 |  | returnAST = bondblock_AST; | 
| 562 |  | } | 
| 567 |  | ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 568 |  |  | 
| 569 |  | try {      // for error handling | 
| 570 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 571 | < | tmp25_AST = astFactory->create(LT(1)); | 
| 572 | < | astFactory->makeASTRoot(currentAST, tmp25_AST); | 
| 570 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 571 | > | tmp29_AST = astFactory->create(LT(1)); | 
| 572 | > | astFactory->makeASTRoot(currentAST, tmp29_AST); | 
| 573 |  | match(BEND); | 
| 574 |  | { | 
| 575 |  | switch ( LA(1)) { | 
| 604 |  | } | 
| 605 |  | _loop29:; | 
| 606 |  | } // ( ... )* | 
| 607 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 608 | < | tmp29_AST = astFactory->create(LT(1)); | 
| 609 | < | astFactory->addASTChild(currentAST, tmp29_AST); | 
| 607 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 608 | > | tmp33_AST = astFactory->create(LT(1)); | 
| 609 | > | astFactory->addASTChild(currentAST, tmp33_AST); | 
| 610 |  | match(RCURLY); | 
| 611 | < | #line 97 "MDParser.g" | 
| 612 | < | tmp29_AST->setType(ENDBLOCK); | 
| 613 | < | #line 571 "MDParser.cpp" | 
| 611 | > | #line 98 "MDParser.g" | 
| 612 | > | tmp33_AST->setType(ENDBLOCK); | 
| 613 | > | #line 614 "MDParser.cpp" | 
| 614 |  | bendblock_AST = currentAST.root; | 
| 615 |  | } | 
| 616 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 617 |  | reportError(ex); | 
| 618 | < | recover(ex,_tokenSet_7); | 
| 618 | > | recover(ex,_tokenSet_8); | 
| 619 |  | } | 
| 620 |  | returnAST = bendblock_AST; | 
| 621 |  | } | 
| 626 |  | ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 627 |  |  | 
| 628 |  | try {      // for error handling | 
| 629 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 630 | < | tmp30_AST = astFactory->create(LT(1)); | 
| 631 | < | astFactory->makeASTRoot(currentAST, tmp30_AST); | 
| 629 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 630 | > | tmp34_AST = astFactory->create(LT(1)); | 
| 631 | > | astFactory->makeASTRoot(currentAST, tmp34_AST); | 
| 632 |  | match(TORSION); | 
| 633 |  | { | 
| 634 |  | switch ( LA(1)) { | 
| 663 |  | } | 
| 664 |  | _loop34:; | 
| 665 |  | } // ( ... )* | 
| 666 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 667 | < | tmp34_AST = astFactory->create(LT(1)); | 
| 668 | < | astFactory->addASTChild(currentAST, tmp34_AST); | 
| 666 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 667 | > | tmp38_AST = astFactory->create(LT(1)); | 
| 668 | > | astFactory->addASTChild(currentAST, tmp38_AST); | 
| 669 |  | match(RCURLY); | 
| 670 | < | #line 104 "MDParser.g" | 
| 671 | < | tmp34_AST->setType(ENDBLOCK); | 
| 672 | < | #line 630 "MDParser.cpp" | 
| 670 | > | #line 105 "MDParser.g" | 
| 671 | > | tmp38_AST->setType(ENDBLOCK); | 
| 672 | > | #line 673 "MDParser.cpp" | 
| 673 |  | torsionblock_AST = currentAST.root; | 
| 674 |  | } | 
| 675 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 676 |  | reportError(ex); | 
| 677 | < | recover(ex,_tokenSet_7); | 
| 677 | > | recover(ex,_tokenSet_8); | 
| 678 |  | } | 
| 679 |  | returnAST = torsionblock_AST; | 
| 680 |  | } | 
| 685 |  | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 686 |  |  | 
| 687 |  | try {      // for error handling | 
| 688 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp35_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 689 | < | tmp35_AST = astFactory->create(LT(1)); | 
| 690 | < | astFactory->makeASTRoot(currentAST, tmp35_AST); | 
| 688 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 689 | > | tmp39_AST = astFactory->create(LT(1)); | 
| 690 | > | astFactory->makeASTRoot(currentAST, tmp39_AST); | 
| 691 |  | match(RIGIDBODY); | 
| 692 |  | match(LBRACKET); | 
| 693 |  | intConst(); | 
| 707 |  | } | 
| 708 |  | _loop38:; | 
| 709 |  | } // ( ... )* | 
| 710 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 711 | < | tmp39_AST = astFactory->create(LT(1)); | 
| 712 | < | astFactory->addASTChild(currentAST, tmp39_AST); | 
| 710 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 711 | > | tmp43_AST = astFactory->create(LT(1)); | 
| 712 | > | astFactory->addASTChild(currentAST, tmp43_AST); | 
| 713 |  | match(RCURLY); | 
| 714 | < | #line 111 "MDParser.g" | 
| 715 | < | tmp39_AST->setType(ENDBLOCK); | 
| 716 | < | #line 674 "MDParser.cpp" | 
| 714 | > | #line 112 "MDParser.g" | 
| 715 | > | tmp43_AST->setType(ENDBLOCK); | 
| 716 | > | #line 717 "MDParser.cpp" | 
| 717 |  | rigidbodyblock_AST = currentAST.root; | 
| 718 |  | } | 
| 719 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 720 |  | reportError(ex); | 
| 721 | < | recover(ex,_tokenSet_7); | 
| 721 | > | recover(ex,_tokenSet_8); | 
| 722 |  | } | 
| 723 |  | returnAST = rigidbodyblock_AST; | 
| 724 |  | } | 
| 729 |  | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 730 |  |  | 
| 731 |  | try {      // for error handling | 
| 732 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 733 | < | tmp40_AST = astFactory->create(LT(1)); | 
| 734 | < | astFactory->makeASTRoot(currentAST, tmp40_AST); | 
| 732 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 733 | > | tmp44_AST = astFactory->create(LT(1)); | 
| 734 | > | astFactory->makeASTRoot(currentAST, tmp44_AST); | 
| 735 |  | match(CUTOFFGROUP); | 
| 736 |  | { | 
| 737 |  | switch ( LA(1)) { | 
| 766 |  | } | 
| 767 |  | _loop43:; | 
| 768 |  | } // ( ... )* | 
| 769 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 770 | < | tmp44_AST = astFactory->create(LT(1)); | 
| 771 | < | astFactory->addASTChild(currentAST, tmp44_AST); | 
| 769 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 770 | > | tmp48_AST = astFactory->create(LT(1)); | 
| 771 | > | astFactory->addASTChild(currentAST, tmp48_AST); | 
| 772 |  | match(RCURLY); | 
| 773 | < | #line 118 "MDParser.g" | 
| 774 | < | tmp44_AST->setType(ENDBLOCK); | 
| 775 | < | #line 733 "MDParser.cpp" | 
| 773 | > | #line 119 "MDParser.g" | 
| 774 | > | tmp48_AST->setType(ENDBLOCK); | 
| 775 | > | #line 776 "MDParser.cpp" | 
| 776 |  | cutoffgroupblock_AST = currentAST.root; | 
| 777 |  | } | 
| 778 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 779 |  | reportError(ex); | 
| 780 | < | recover(ex,_tokenSet_7); | 
| 780 | > | recover(ex,_tokenSet_8); | 
| 781 |  | } | 
| 782 |  | returnAST = cutoffgroupblock_AST; | 
| 783 |  | } | 
| 788 |  | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 789 |  |  | 
| 790 |  | try {      // for error handling | 
| 791 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp45_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 792 | < | tmp45_AST = astFactory->create(LT(1)); | 
| 793 | < | astFactory->makeASTRoot(currentAST, tmp45_AST); | 
| 791 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 792 | > | tmp49_AST = astFactory->create(LT(1)); | 
| 793 | > | astFactory->makeASTRoot(currentAST, tmp49_AST); | 
| 794 |  | match(FRAGMENT); | 
| 795 |  | match(LBRACKET); | 
| 796 |  | intConst(); | 
| 810 |  | } | 
| 811 |  | _loop47:; | 
| 812 |  | } // ( ... )* | 
| 813 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 814 | < | tmp49_AST = astFactory->create(LT(1)); | 
| 815 | < | astFactory->addASTChild(currentAST, tmp49_AST); | 
| 813 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 814 | > | tmp53_AST = astFactory->create(LT(1)); | 
| 815 | > | astFactory->addASTChild(currentAST, tmp53_AST); | 
| 816 |  | match(RCURLY); | 
| 817 | < | #line 125 "MDParser.g" | 
| 818 | < | tmp49_AST->setType(ENDBLOCK); | 
| 819 | < | #line 777 "MDParser.cpp" | 
| 817 | > | #line 126 "MDParser.g" | 
| 818 | > | tmp53_AST->setType(ENDBLOCK); | 
| 819 | > | #line 820 "MDParser.cpp" | 
| 820 |  | fragmentblock_AST = currentAST.root; | 
| 821 |  | } | 
| 822 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 823 |  | reportError(ex); | 
| 824 | < | recover(ex,_tokenSet_7); | 
| 824 | > | recover(ex,_tokenSet_8); | 
| 825 |  | } | 
| 826 |  | returnAST = fragmentblock_AST; | 
| 827 |  | } | 
| 828 |  |  | 
| 786 | – | void MDParser::intConst() { | 
| 787 | – | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 788 | – | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 789 | – | ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 790 | – |  | 
| 791 | – | try {      // for error handling | 
| 792 | – | switch ( LA(1)) { | 
| 793 | – | case OCTALINT: | 
| 794 | – | { | 
| 795 | – | ANTLR_USE_NAMESPACE(antlr)RefAST tmp50_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 796 | – | tmp50_AST = astFactory->create(LT(1)); | 
| 797 | – | astFactory->addASTChild(currentAST, tmp50_AST); | 
| 798 | – | match(OCTALINT); | 
| 799 | – | intConst_AST = currentAST.root; | 
| 800 | – | break; | 
| 801 | – | } | 
| 802 | – | case DECIMALINT: | 
| 803 | – | { | 
| 804 | – | ANTLR_USE_NAMESPACE(antlr)RefAST tmp51_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 805 | – | tmp51_AST = astFactory->create(LT(1)); | 
| 806 | – | astFactory->addASTChild(currentAST, tmp51_AST); | 
| 807 | – | match(DECIMALINT); | 
| 808 | – | intConst_AST = currentAST.root; | 
| 809 | – | break; | 
| 810 | – | } | 
| 811 | – | case HEXADECIMALINT: | 
| 812 | – | { | 
| 813 | – | ANTLR_USE_NAMESPACE(antlr)RefAST tmp52_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 814 | – | tmp52_AST = astFactory->create(LT(1)); | 
| 815 | – | astFactory->addASTChild(currentAST, tmp52_AST); | 
| 816 | – | match(HEXADECIMALINT); | 
| 817 | – | intConst_AST = currentAST.root; | 
| 818 | – | break; | 
| 819 | – | } | 
| 820 | – | default: | 
| 821 | – | { | 
| 822 | – | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 823 | – | } | 
| 824 | – | } | 
| 825 | – | } | 
| 826 | – | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 827 | – | reportError(ex); | 
| 828 | – | recover(ex,_tokenSet_9); | 
| 829 | – | } | 
| 830 | – | returnAST = intConst_AST; | 
| 831 | – | } | 
| 832 | – |  | 
| 829 |  | void MDParser::atomstatement() { | 
| 830 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 831 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 842 |  | } | 
| 843 |  | case POSITION: | 
| 844 |  | { | 
| 845 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 846 | < | tmp53_AST = astFactory->create(LT(1)); | 
| 847 | < | astFactory->makeASTRoot(currentAST, tmp53_AST); | 
| 845 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 846 | > | tmp54_AST = astFactory->create(LT(1)); | 
| 847 | > | astFactory->makeASTRoot(currentAST, tmp54_AST); | 
| 848 |  | match(POSITION); | 
| 849 |  | match(LPAREN); | 
| 850 | < | signedNumberTuple(); | 
| 850 | > | doubleNumberTuple(); | 
| 851 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 852 |  | match(RPAREN); | 
| 853 |  | match(SEMICOLON); | 
| 856 |  | } | 
| 857 |  | case ORIENTATION: | 
| 858 |  | { | 
| 859 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp57_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 860 | < | tmp57_AST = astFactory->create(LT(1)); | 
| 861 | < | astFactory->makeASTRoot(currentAST, tmp57_AST); | 
| 859 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 860 | > | tmp58_AST = astFactory->create(LT(1)); | 
| 861 | > | astFactory->makeASTRoot(currentAST, tmp58_AST); | 
| 862 |  | match(ORIENTATION); | 
| 863 |  | match(LPAREN); | 
| 864 | < | signedNumberTuple(); | 
| 864 | > | doubleNumberTuple(); | 
| 865 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 866 |  | match(RPAREN); | 
| 867 |  | match(SEMICOLON); | 
| 881 |  | returnAST = atomstatement_AST; | 
| 882 |  | } | 
| 883 |  |  | 
| 884 | < | void MDParser::signedNumberTuple() { | 
| 884 | > | void MDParser::doubleNumberTuple() { | 
| 885 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 886 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 887 | < | ANTLR_USE_NAMESPACE(antlr)RefAST signedNumberTuple_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 887 | > | ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumberTuple_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 888 |  |  | 
| 889 |  | try {      // for error handling | 
| 890 | < | signedNumber(); | 
| 890 | > | doubleNumber(); | 
| 891 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 892 |  | { // ( ... )* | 
| 893 |  | for (;;) { | 
| 894 |  | if ((LA(1) == COMMA)) { | 
| 895 |  | match(COMMA); | 
| 896 | < | signedNumber(); | 
| 896 | > | doubleNumber(); | 
| 897 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 898 |  | } | 
| 899 |  | else { | 
| 903 |  | } | 
| 904 |  | _loop51:; | 
| 905 |  | } // ( ... )* | 
| 906 | < | signedNumberTuple_AST = currentAST.root; | 
| 906 | > | doubleNumberTuple_AST = currentAST.root; | 
| 907 |  | } | 
| 908 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 909 |  | reportError(ex); | 
| 910 |  | recover(ex,_tokenSet_11); | 
| 911 |  | } | 
| 912 | < | returnAST = signedNumberTuple_AST; | 
| 912 | > | returnAST = doubleNumberTuple_AST; | 
| 913 |  | } | 
| 914 |  |  | 
| 915 |  | void MDParser::bondstatement() { | 
| 928 |  | } | 
| 929 |  | case MEMBERS: | 
| 930 |  | { | 
| 931 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp62_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 932 | < | tmp62_AST = astFactory->create(LT(1)); | 
| 933 | < | astFactory->makeASTRoot(currentAST, tmp62_AST); | 
| 931 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 932 | > | tmp63_AST = astFactory->create(LT(1)); | 
| 933 | > | astFactory->makeASTRoot(currentAST, tmp63_AST); | 
| 934 |  | match(MEMBERS); | 
| 935 |  | match(LPAREN); | 
| 936 |  | inttuple(); | 
| 1000 |  | } | 
| 1001 |  | case MEMBERS: | 
| 1002 |  | { | 
| 1003 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp67_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1004 | < | tmp67_AST = astFactory->create(LT(1)); | 
| 1005 | < | astFactory->makeASTRoot(currentAST, tmp67_AST); | 
| 1003 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1004 | > | tmp68_AST = astFactory->create(LT(1)); | 
| 1005 | > | astFactory->makeASTRoot(currentAST, tmp68_AST); | 
| 1006 |  | match(MEMBERS); | 
| 1007 |  | match(LPAREN); | 
| 1008 |  | inttuple(); | 
| 1041 |  | } | 
| 1042 |  | case MEMBERS: | 
| 1043 |  | { | 
| 1044 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp71_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1045 | < | tmp71_AST = astFactory->create(LT(1)); | 
| 1046 | < | astFactory->makeASTRoot(currentAST, tmp71_AST); | 
| 1044 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1045 | > | tmp72_AST = astFactory->create(LT(1)); | 
| 1046 | > | astFactory->makeASTRoot(currentAST, tmp72_AST); | 
| 1047 |  | match(MEMBERS); | 
| 1048 |  | match(LPAREN); | 
| 1049 |  | inttuple(); | 
| 1082 |  | } | 
| 1083 |  | case MEMBERS: | 
| 1084 |  | { | 
| 1085 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp75_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1086 | < | tmp75_AST = astFactory->create(LT(1)); | 
| 1087 | < | astFactory->makeASTRoot(currentAST, tmp75_AST); | 
| 1085 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp76_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1086 | > | tmp76_AST = astFactory->create(LT(1)); | 
| 1087 | > | astFactory->makeASTRoot(currentAST, tmp76_AST); | 
| 1088 |  | match(MEMBERS); | 
| 1089 |  | match(LPAREN); | 
| 1090 |  | inttuple(); | 
| 1123 |  | } | 
| 1124 |  | case MEMBERS: | 
| 1125 |  | { | 
| 1126 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp79_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1127 | < | tmp79_AST = astFactory->create(LT(1)); | 
| 1128 | < | astFactory->makeASTRoot(currentAST, tmp79_AST); | 
| 1126 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1127 | > | tmp80_AST = astFactory->create(LT(1)); | 
| 1128 | > | astFactory->makeASTRoot(currentAST, tmp80_AST); | 
| 1129 |  | match(MEMBERS); | 
| 1130 |  | match(LPAREN); | 
| 1131 |  | inttuple(); | 
| 1165 |  | returnAST = fragmentstatement_AST; | 
| 1166 |  | } | 
| 1167 |  |  | 
| 1168 | < | void MDParser::floatConst() { | 
| 1168 | > | void MDParser::doubleNumber() { | 
| 1169 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1170 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1171 | < | ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1171 | > | ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumber_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1172 |  |  | 
| 1173 |  | try {      // for error handling | 
| 1174 | + | { | 
| 1175 |  | switch ( LA(1)) { | 
| 1176 | < | case FLOATONE: | 
| 1176 | > | case NUM_INT: | 
| 1177 | > | case NUM_LONG: | 
| 1178 |  | { | 
| 1179 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp83_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1180 | < | tmp83_AST = astFactory->create(LT(1)); | 
| 1183 | < | astFactory->addASTChild(currentAST, tmp83_AST); | 
| 1184 | < | match(FLOATONE); | 
| 1185 | < | floatConst_AST = currentAST.root; | 
| 1179 | > | intConst(); | 
| 1180 | > | astFactory->addASTChild( currentAST, returnAST ); | 
| 1181 |  | break; | 
| 1182 |  | } | 
| 1183 | < | case FLOATTWO: | 
| 1183 | > | case NUM_FLOAT: | 
| 1184 | > | case NUM_DOUBLE: | 
| 1185 |  | { | 
| 1186 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp84_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1187 | < | tmp84_AST = astFactory->create(LT(1)); | 
| 1192 | < | astFactory->addASTChild(currentAST, tmp84_AST); | 
| 1193 | < | match(FLOATTWO); | 
| 1194 | < | floatConst_AST = currentAST.root; | 
| 1186 | > | floatConst(); | 
| 1187 | > | astFactory->addASTChild( currentAST, returnAST ); | 
| 1188 |  | break; | 
| 1189 |  | } | 
| 1190 |  | default: | 
| 1192 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1193 |  | } | 
| 1194 |  | } | 
| 1195 | + | } | 
| 1196 | + | doubleNumber_AST = currentAST.root; | 
| 1197 |  | } | 
| 1198 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1199 |  | reportError(ex); | 
| 1200 | < | recover(ex,_tokenSet_6); | 
| 1200 | > | recover(ex,_tokenSet_14); | 
| 1201 |  | } | 
| 1202 | < | returnAST = floatConst_AST; | 
| 1202 | > | returnAST = doubleNumber_AST; | 
| 1203 |  | } | 
| 1204 |  |  | 
| 1205 |  | void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) | 
| 1206 |  | { | 
| 1207 | < | factory.setMaxNodeType(53); | 
| 1207 | > | factory.setMaxNodeType(50); | 
| 1208 |  | } | 
| 1209 |  | const char* MDParser::tokenNames[] = { | 
| 1210 |  | "<0>", | 
| 1236 |  | "LPAREN", | 
| 1237 |  | "RPAREN", | 
| 1238 |  | "COMMA", | 
| 1239 | < | "OCTALINT", | 
| 1240 | < | "DECIMALINT", | 
| 1241 | < | "HEXADECIMALINT", | 
| 1242 | < | "FLOATONE", | 
| 1248 | < | "FLOATTWO", | 
| 1239 | > | "NUM_INT", | 
| 1240 | > | "NUM_LONG", | 
| 1241 | > | "NUM_FLOAT", | 
| 1242 | > | "NUM_DOUBLE", | 
| 1243 |  | "DOT", | 
| 1244 |  | "COLON", | 
| 1245 |  | "QUESTIONMARK", | 
| 1252 |  | "CharLiteral", | 
| 1253 |  | "EndOfLine", | 
| 1254 |  | "Escape", | 
| 1255 | + | "Vocabulary", | 
| 1256 |  | "Digit", | 
| 1257 |  | "Decimal", | 
| 1258 | < | "LongSuffix", | 
| 1259 | < | "UnsignedSuffix", | 
| 1260 | < | "FloatSuffix", | 
| 1266 | < | "Exponent", | 
| 1267 | < | "Vocabulary", | 
| 1268 | < | "Number", | 
| 1258 | > | "HEX_DIGIT", | 
| 1259 | > | "EXPONENT", | 
| 1260 | > | "FLOAT_SUFFIX", | 
| 1261 |  | 0 | 
| 1262 |  | }; | 
| 1263 |  |  | 
| 1282 |  | const unsigned long MDParser::_tokenSet_5_data_[] = { 1048576UL, 0UL, 0UL, 0UL }; | 
| 1283 |  | // SEMICOLON | 
| 1284 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4); | 
| 1285 | < | const unsigned long MDParser::_tokenSet_6_data_[] = { 403701760UL, 0UL, 0UL, 0UL }; | 
| 1286 | < | // SEMICOLON RPAREN COMMA | 
| 1285 | > | const unsigned long MDParser::_tokenSet_6_data_[] = { 437256192UL, 0UL, 0UL, 0UL }; | 
| 1286 | > | // SEMICOLON RBRACKET RPAREN COMMA | 
| 1287 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4); | 
| 1288 | < | const unsigned long MDParser::_tokenSet_7_data_[] = { 8667008UL, 0UL, 0UL, 0UL }; | 
| 1288 | > | const unsigned long MDParser::_tokenSet_7_data_[] = { 403701760UL, 0UL, 0UL, 0UL }; | 
| 1289 | > | // SEMICOLON RPAREN COMMA | 
| 1290 | > | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4); | 
| 1291 | > | const unsigned long MDParser::_tokenSet_8_data_[] = { 8667008UL, 0UL, 0UL, 0UL }; | 
| 1292 |  | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1293 |  | // ID RCURLY | 
| 1299 | – | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4); | 
| 1300 | – | const unsigned long MDParser::_tokenSet_8_data_[] = { 360448UL, 0UL, 0UL, 0UL }; | 
| 1301 | – | // "position" "orientation" ID | 
| 1294 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4); | 
| 1295 | < | const unsigned long MDParser::_tokenSet_9_data_[] = { 437256192UL, 0UL, 0UL, 0UL }; | 
| 1296 | < | // SEMICOLON RBRACKET RPAREN COMMA | 
| 1295 | > | const unsigned long MDParser::_tokenSet_9_data_[] = { 360448UL, 0UL, 0UL, 0UL }; | 
| 1296 | > | // "position" "orientation" ID | 
| 1297 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4); | 
| 1298 |  | const unsigned long MDParser::_tokenSet_10_data_[] = { 8749056UL, 0UL, 0UL, 0UL }; | 
| 1299 |  | // "position" "orientation" ID RCURLY | 
| 1307 |  | const unsigned long MDParser::_tokenSet_13_data_[] = { 8650752UL, 0UL, 0UL, 0UL }; | 
| 1308 |  | // ID RCURLY | 
| 1309 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4); | 
| 1310 | + | const unsigned long MDParser::_tokenSet_14_data_[] = { 402653184UL, 0UL, 0UL, 0UL }; | 
| 1311 | + | // RPAREN COMMA | 
| 1312 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4); | 
| 1313 |  |  | 
| 1314 |  |  |