| 1 | < | /* $ANTLR 2.7.5 (20050406): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 1 | > | /* $ANTLR 2.7.7 (20140107): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 2 |  | #include "MDParser.hpp" | 
| 3 |  | #include <antlr/NoViableAltException.hpp> | 
| 4 |  | #include <antlr/SemanticException.hpp> | 
| 93 |  | statement_AST = currentAST.root; | 
| 94 |  | break; | 
| 95 |  | } | 
| 96 | + | case RESTRAINT: | 
| 97 | + | { | 
| 98 | + | restraintblock(); | 
| 99 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 100 | + | statement_AST = currentAST.root; | 
| 101 | + | break; | 
| 102 | + | } | 
| 103 | + | case FLUCQ: | 
| 104 | + | { | 
| 105 | + | flucqblock(); | 
| 106 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 107 | + | statement_AST = currentAST.root; | 
| 108 | + | break; | 
| 109 | + | } | 
| 110 | + | case RNEMD: | 
| 111 | + | { | 
| 112 | + | rnemdblock(); | 
| 113 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 114 | + | statement_AST = currentAST.root; | 
| 115 | + | break; | 
| 116 | + | } | 
| 117 | + | case MINIMIZER: | 
| 118 | + | { | 
| 119 | + | minimizerblock(); | 
| 120 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 121 | + | statement_AST = currentAST.root; | 
| 122 | + | break; | 
| 123 | + | } | 
| 124 |  | default: | 
| 125 |  | { | 
| 126 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 188 |  | tmp6_AST = astFactory->create(LT(1)); | 
| 189 |  | astFactory->addASTChild(currentAST, tmp6_AST); | 
| 190 |  | match(RCURLY); | 
| 191 | < | #line 63 "MDParser.g" | 
| 191 | > | #line 77 "MDParser.g" | 
| 192 |  | tmp6_AST->setType(ENDBLOCK); | 
| 193 | < | #line 166 "MDParser.cpp" | 
| 193 | > | #line 194 "MDParser.cpp" | 
| 194 |  | componentblock_AST = currentAST.root; | 
| 195 |  | } | 
| 196 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 218 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 219 |  | } | 
| 220 |  | else { | 
| 221 | < | goto _loop15; | 
| 221 | > | goto _loop27; | 
| 222 |  | } | 
| 223 |  |  | 
| 224 |  | } | 
| 225 | < | _loop15:; | 
| 225 | > | _loop27:; | 
| 226 |  | } // ( ... )* | 
| 227 |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 228 |  | tmp9_AST = astFactory->create(LT(1)); | 
| 229 |  | astFactory->addASTChild(currentAST, tmp9_AST); | 
| 230 |  | match(RCURLY); | 
| 231 | < | #line 69 "MDParser.g" | 
| 231 | > | #line 95 "MDParser.g" | 
| 232 |  | tmp9_AST->setType(ENDBLOCK); | 
| 233 | < | #line 206 "MDParser.cpp" | 
| 233 | > | #line 234 "MDParser.cpp" | 
| 234 |  | moleculeblock_AST = currentAST.root; | 
| 235 |  | } | 
| 236 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 268 |  | tmp12_AST = astFactory->create(LT(1)); | 
| 269 |  | astFactory->addASTChild(currentAST, tmp12_AST); | 
| 270 |  | match(RCURLY); | 
| 271 | < | #line 66 "MDParser.g" | 
| 271 | > | #line 80 "MDParser.g" | 
| 272 |  | tmp12_AST->setType(ENDBLOCK); | 
| 273 | < | #line 246 "MDParser.cpp" | 
| 273 | > | #line 274 "MDParser.cpp" | 
| 274 |  | zconstraintblock_AST = currentAST.root; | 
| 275 |  | } | 
| 276 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 278 |  | recover(ex,_tokenSet_2); | 
| 279 |  | } | 
| 280 |  | returnAST = zconstraintblock_AST; | 
| 281 | + | } | 
| 282 | + |  | 
| 283 | + | void MDParser::restraintblock() { | 
| 284 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 285 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 286 | + | ANTLR_USE_NAMESPACE(antlr)RefAST restraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 287 | + |  | 
| 288 | + | try {      // for error handling | 
| 289 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 290 | + | tmp13_AST = astFactory->create(LT(1)); | 
| 291 | + | astFactory->makeASTRoot(currentAST, tmp13_AST); | 
| 292 | + | match(RESTRAINT); | 
| 293 | + | match(LCURLY); | 
| 294 | + | { // ( ... )* | 
| 295 | + | for (;;) { | 
| 296 | + | if ((LA(1) == ID)) { | 
| 297 | + | assignment(); | 
| 298 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 299 | + | } | 
| 300 | + | else { | 
| 301 | + | goto _loop15; | 
| 302 | + | } | 
| 303 | + |  | 
| 304 | + | } | 
| 305 | + | _loop15:; | 
| 306 | + | } // ( ... )* | 
| 307 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 308 | + | tmp15_AST = astFactory->create(LT(1)); | 
| 309 | + | astFactory->addASTChild(currentAST, tmp15_AST); | 
| 310 | + | match(RCURLY); | 
| 311 | + | #line 83 "MDParser.g" | 
| 312 | + | tmp15_AST->setType(ENDBLOCK); | 
| 313 | + | #line 314 "MDParser.cpp" | 
| 314 | + | restraintblock_AST = currentAST.root; | 
| 315 | + | } | 
| 316 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 317 | + | reportError(ex); | 
| 318 | + | recover(ex,_tokenSet_2); | 
| 319 | + | } | 
| 320 | + | returnAST = restraintblock_AST; | 
| 321 | + | } | 
| 322 | + |  | 
| 323 | + | void MDParser::flucqblock() { | 
| 324 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 325 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 326 | + | ANTLR_USE_NAMESPACE(antlr)RefAST flucqblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 327 | + |  | 
| 328 | + | try {      // for error handling | 
| 329 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 330 | + | tmp16_AST = astFactory->create(LT(1)); | 
| 331 | + | astFactory->makeASTRoot(currentAST, tmp16_AST); | 
| 332 | + | match(FLUCQ); | 
| 333 | + | match(LCURLY); | 
| 334 | + | { // ( ... )* | 
| 335 | + | for (;;) { | 
| 336 | + | if ((LA(1) == ID)) { | 
| 337 | + | assignment(); | 
| 338 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 339 | + | } | 
| 340 | + | else { | 
| 341 | + | goto _loop18; | 
| 342 | + | } | 
| 343 | + |  | 
| 344 | + | } | 
| 345 | + | _loop18:; | 
| 346 | + | } // ( ... )* | 
| 347 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 348 | + | tmp18_AST = astFactory->create(LT(1)); | 
| 349 | + | astFactory->addASTChild(currentAST, tmp18_AST); | 
| 350 | + | match(RCURLY); | 
| 351 | + | #line 86 "MDParser.g" | 
| 352 | + | tmp18_AST->setType(ENDBLOCK); | 
| 353 | + | #line 354 "MDParser.cpp" | 
| 354 | + | flucqblock_AST = currentAST.root; | 
| 355 | + | } | 
| 356 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 357 | + | reportError(ex); | 
| 358 | + | recover(ex,_tokenSet_2); | 
| 359 | + | } | 
| 360 | + | returnAST = flucqblock_AST; | 
| 361 |  | } | 
| 362 |  |  | 
| 363 | + | void MDParser::rnemdblock() { | 
| 364 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 365 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 366 | + | ANTLR_USE_NAMESPACE(antlr)RefAST rnemdblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 367 | + |  | 
| 368 | + | try {      // for error handling | 
| 369 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 370 | + | tmp19_AST = astFactory->create(LT(1)); | 
| 371 | + | astFactory->makeASTRoot(currentAST, tmp19_AST); | 
| 372 | + | match(RNEMD); | 
| 373 | + | match(LCURLY); | 
| 374 | + | { // ( ... )* | 
| 375 | + | for (;;) { | 
| 376 | + | if ((LA(1) == ID)) { | 
| 377 | + | assignment(); | 
| 378 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 379 | + | } | 
| 380 | + | else { | 
| 381 | + | goto _loop21; | 
| 382 | + | } | 
| 383 | + |  | 
| 384 | + | } | 
| 385 | + | _loop21:; | 
| 386 | + | } // ( ... )* | 
| 387 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 388 | + | tmp21_AST = astFactory->create(LT(1)); | 
| 389 | + | astFactory->addASTChild(currentAST, tmp21_AST); | 
| 390 | + | match(RCURLY); | 
| 391 | + | #line 89 "MDParser.g" | 
| 392 | + | tmp21_AST->setType(ENDBLOCK); | 
| 393 | + | #line 394 "MDParser.cpp" | 
| 394 | + | rnemdblock_AST = currentAST.root; | 
| 395 | + | } | 
| 396 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 397 | + | reportError(ex); | 
| 398 | + | recover(ex,_tokenSet_2); | 
| 399 | + | } | 
| 400 | + | returnAST = rnemdblock_AST; | 
| 401 | + | } | 
| 402 | + |  | 
| 403 | + | void MDParser::minimizerblock() { | 
| 404 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 405 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 406 | + | ANTLR_USE_NAMESPACE(antlr)RefAST minimizerblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 407 | + |  | 
| 408 | + | try {      // for error handling | 
| 409 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 410 | + | tmp22_AST = astFactory->create(LT(1)); | 
| 411 | + | astFactory->makeASTRoot(currentAST, tmp22_AST); | 
| 412 | + | match(MINIMIZER); | 
| 413 | + | match(LCURLY); | 
| 414 | + | { // ( ... )* | 
| 415 | + | for (;;) { | 
| 416 | + | if ((LA(1) == ID)) { | 
| 417 | + | assignment(); | 
| 418 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 419 | + | } | 
| 420 | + | else { | 
| 421 | + | goto _loop24; | 
| 422 | + | } | 
| 423 | + |  | 
| 424 | + | } | 
| 425 | + | _loop24:; | 
| 426 | + | } // ( ... )* | 
| 427 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 428 | + | tmp24_AST = astFactory->create(LT(1)); | 
| 429 | + | astFactory->addASTChild(currentAST, tmp24_AST); | 
| 430 | + | match(RCURLY); | 
| 431 | + | #line 92 "MDParser.g" | 
| 432 | + | tmp24_AST->setType(ENDBLOCK); | 
| 433 | + | #line 434 "MDParser.cpp" | 
| 434 | + | minimizerblock_AST = currentAST.root; | 
| 435 | + | } | 
| 436 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 437 | + | reportError(ex); | 
| 438 | + | recover(ex,_tokenSet_2); | 
| 439 | + | } | 
| 440 | + | returnAST = minimizerblock_AST; | 
| 441 | + | } | 
| 442 | + |  | 
| 443 |  | void MDParser::constant() { | 
| 444 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 445 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 463 |  | constant_AST = currentAST.root; | 
| 464 |  | break; | 
| 465 |  | } | 
| 466 | + | case LPAREN: | 
| 467 | + | { | 
| 468 | + | vectorConst(); | 
| 469 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 470 | + | constant_AST = currentAST.root; | 
| 471 | + | break; | 
| 472 | + | } | 
| 473 |  | case ID: | 
| 474 |  | { | 
| 475 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 476 | < | tmp13_AST = astFactory->create(LT(1)); | 
| 477 | < | astFactory->addASTChild(currentAST, tmp13_AST); | 
| 475 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 476 | > | tmp25_AST = astFactory->create(LT(1)); | 
| 477 | > | astFactory->addASTChild(currentAST, tmp25_AST); | 
| 478 |  | match(ID); | 
| 479 |  | constant_AST = currentAST.root; | 
| 480 |  | break; | 
| 481 |  | } | 
| 482 |  | case StringLiteral: | 
| 483 |  | { | 
| 484 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 485 | < | tmp14_AST = astFactory->create(LT(1)); | 
| 486 | < | astFactory->addASTChild(currentAST, tmp14_AST); | 
| 484 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 485 | > | tmp26_AST = astFactory->create(LT(1)); | 
| 486 | > | astFactory->addASTChild(currentAST, tmp26_AST); | 
| 487 |  | match(StringLiteral); | 
| 488 |  | constant_AST = currentAST.root; | 
| 489 |  | break; | 
| 510 |  | switch ( LA(1)) { | 
| 511 |  | case NUM_INT: | 
| 512 |  | { | 
| 513 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 514 | < | tmp15_AST = astFactory->create(LT(1)); | 
| 515 | < | astFactory->addASTChild(currentAST, tmp15_AST); | 
| 513 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 514 | > | tmp27_AST = astFactory->create(LT(1)); | 
| 515 | > | astFactory->addASTChild(currentAST, tmp27_AST); | 
| 516 |  | match(NUM_INT); | 
| 517 |  | intConst_AST = currentAST.root; | 
| 518 |  | break; | 
| 519 |  | } | 
| 520 |  | case NUM_LONG: | 
| 521 |  | { | 
| 522 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 523 | < | tmp16_AST = astFactory->create(LT(1)); | 
| 524 | < | astFactory->addASTChild(currentAST, tmp16_AST); | 
| 522 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 523 | > | tmp28_AST = astFactory->create(LT(1)); | 
| 524 | > | astFactory->addASTChild(currentAST, tmp28_AST); | 
| 525 |  | match(NUM_LONG); | 
| 526 |  | intConst_AST = currentAST.root; | 
| 527 |  | break; | 
| 548 |  | switch ( LA(1)) { | 
| 549 |  | case NUM_FLOAT: | 
| 550 |  | { | 
| 551 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 552 | < | tmp17_AST = astFactory->create(LT(1)); | 
| 553 | < | astFactory->addASTChild(currentAST, tmp17_AST); | 
| 551 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 552 | > | tmp29_AST = astFactory->create(LT(1)); | 
| 553 | > | astFactory->addASTChild(currentAST, tmp29_AST); | 
| 554 |  | match(NUM_FLOAT); | 
| 555 |  | floatConst_AST = currentAST.root; | 
| 556 |  | break; | 
| 557 |  | } | 
| 558 |  | case NUM_DOUBLE: | 
| 559 |  | { | 
| 560 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 561 | < | tmp18_AST = astFactory->create(LT(1)); | 
| 562 | < | astFactory->addASTChild(currentAST, tmp18_AST); | 
| 560 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 561 | > | tmp30_AST = astFactory->create(LT(1)); | 
| 562 | > | astFactory->addASTChild(currentAST, tmp30_AST); | 
| 563 |  | match(NUM_DOUBLE); | 
| 564 |  | floatConst_AST = currentAST.root; | 
| 565 |  | break; | 
| 577 |  | returnAST = floatConst_AST; | 
| 578 |  | } | 
| 579 |  |  | 
| 580 | + | void MDParser::vectorConst() { | 
| 581 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 582 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 583 | + | ANTLR_USE_NAMESPACE(antlr)RefAST vectorConst_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 584 | + |  | 
| 585 | + | try {      // for error handling | 
| 586 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 587 | + | tmp31_AST = astFactory->create(LT(1)); | 
| 588 | + | astFactory->makeASTRoot(currentAST, tmp31_AST); | 
| 589 | + | match(LPAREN); | 
| 590 | + | doubleNumber(); | 
| 591 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 592 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 593 | + | tmp32_AST = astFactory->create(LT(1)); | 
| 594 | + | astFactory->addASTChild(currentAST, tmp32_AST); | 
| 595 | + | match(COMMA); | 
| 596 | + | doubleNumber(); | 
| 597 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 598 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 599 | + | tmp33_AST = astFactory->create(LT(1)); | 
| 600 | + | astFactory->addASTChild(currentAST, tmp33_AST); | 
| 601 | + | match(COMMA); | 
| 602 | + | doubleNumber(); | 
| 603 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 604 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 605 | + | tmp34_AST = astFactory->create(LT(1)); | 
| 606 | + | astFactory->addASTChild(currentAST, tmp34_AST); | 
| 607 | + | match(RPAREN); | 
| 608 | + | vectorConst_AST = currentAST.root; | 
| 609 | + | } | 
| 610 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 611 | + | reportError(ex); | 
| 612 | + | recover(ex,_tokenSet_5); | 
| 613 | + | } | 
| 614 | + | returnAST = vectorConst_AST; | 
| 615 | + | } | 
| 616 | + |  | 
| 617 |  | void MDParser::moleculestatement() { | 
| 618 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 619 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 656 |  | moleculestatement_AST = currentAST.root; | 
| 657 |  | break; | 
| 658 |  | } | 
| 659 | + | case INVERSION: | 
| 660 | + | { | 
| 661 | + | inversionblock(); | 
| 662 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 663 | + | moleculestatement_AST = currentAST.root; | 
| 664 | + | break; | 
| 665 | + | } | 
| 666 |  | case RIGIDBODY: | 
| 667 |  | { | 
| 668 |  | rigidbodyblock(); | 
| 684 |  | moleculestatement_AST = currentAST.root; | 
| 685 |  | break; | 
| 686 |  | } | 
| 687 | + | case CONSTRAINT: | 
| 688 | + | { | 
| 689 | + | constraintblock(); | 
| 690 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 691 | + | moleculestatement_AST = currentAST.root; | 
| 692 | + | break; | 
| 693 | + | } | 
| 694 |  | default: | 
| 695 |  | { | 
| 696 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 710 |  | ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 711 |  |  | 
| 712 |  | try {      // for error handling | 
| 713 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 714 | < | tmp19_AST = astFactory->create(LT(1)); | 
| 715 | < | astFactory->makeASTRoot(currentAST, tmp19_AST); | 
| 713 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp35_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 714 | > | tmp35_AST = astFactory->create(LT(1)); | 
| 715 | > | astFactory->makeASTRoot(currentAST, tmp35_AST); | 
| 716 |  | match(ATOM); | 
| 717 |  | match(LBRACKET); | 
| 718 |  | intConst(); | 
| 726 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 727 |  | } | 
| 728 |  | else { | 
| 729 | < | goto _loop19; | 
| 729 | > | goto _loop31; | 
| 730 |  | } | 
| 731 |  |  | 
| 732 |  | } | 
| 733 | < | _loop19:; | 
| 733 | > | _loop31:; | 
| 734 |  | } // ( ... )* | 
| 735 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 736 | < | tmp23_AST = astFactory->create(LT(1)); | 
| 737 | < | astFactory->addASTChild(currentAST, tmp23_AST); | 
| 735 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 736 | > | tmp39_AST = astFactory->create(LT(1)); | 
| 737 | > | astFactory->addASTChild(currentAST, tmp39_AST); | 
| 738 |  | match(RCURLY); | 
| 739 | < | #line 82 "MDParser.g" | 
| 740 | < | tmp23_AST->setType(ENDBLOCK); | 
| 741 | < | #line 496 "MDParser.cpp" | 
| 739 | > | #line 110 "MDParser.g" | 
| 740 | > | tmp39_AST->setType(ENDBLOCK); | 
| 741 | > | #line 742 "MDParser.cpp" | 
| 742 |  | atomblock_AST = currentAST.root; | 
| 743 |  | } | 
| 744 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 754 |  | ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 755 |  |  | 
| 756 |  | try {      // for error handling | 
| 757 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 758 | < | tmp24_AST = astFactory->create(LT(1)); | 
| 759 | < | astFactory->makeASTRoot(currentAST, tmp24_AST); | 
| 757 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 758 | > | tmp40_AST = astFactory->create(LT(1)); | 
| 759 | > | astFactory->makeASTRoot(currentAST, tmp40_AST); | 
| 760 |  | match(BOND); | 
| 761 |  | { | 
| 762 |  | switch ( LA(1)) { | 
| 785 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 786 |  | } | 
| 787 |  | else { | 
| 788 | < | goto _loop24; | 
| 788 | > | goto _loop36; | 
| 789 |  | } | 
| 790 |  |  | 
| 791 |  | } | 
| 792 | < | _loop24:; | 
| 792 | > | _loop36:; | 
| 793 |  | } // ( ... )* | 
| 794 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 795 | < | tmp28_AST = astFactory->create(LT(1)); | 
| 796 | < | astFactory->addASTChild(currentAST, tmp28_AST); | 
| 794 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 795 | > | tmp44_AST = astFactory->create(LT(1)); | 
| 796 | > | astFactory->addASTChild(currentAST, tmp44_AST); | 
| 797 |  | match(RCURLY); | 
| 798 | < | #line 91 "MDParser.g" | 
| 799 | < | tmp28_AST->setType(ENDBLOCK); | 
| 800 | < | #line 555 "MDParser.cpp" | 
| 798 | > | #line 119 "MDParser.g" | 
| 799 | > | tmp44_AST->setType(ENDBLOCK); | 
| 800 | > | #line 801 "MDParser.cpp" | 
| 801 |  | bondblock_AST = currentAST.root; | 
| 802 |  | } | 
| 803 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 813 |  | ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 814 |  |  | 
| 815 |  | try {      // for error handling | 
| 816 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 817 | < | tmp29_AST = astFactory->create(LT(1)); | 
| 818 | < | astFactory->makeASTRoot(currentAST, tmp29_AST); | 
| 816 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp45_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 817 | > | tmp45_AST = astFactory->create(LT(1)); | 
| 818 | > | astFactory->makeASTRoot(currentAST, tmp45_AST); | 
| 819 |  | match(BEND); | 
| 820 |  | { | 
| 821 |  | switch ( LA(1)) { | 
| 844 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 845 |  | } | 
| 846 |  | else { | 
| 847 | < | goto _loop29; | 
| 847 | > | goto _loop41; | 
| 848 |  | } | 
| 849 |  |  | 
| 850 |  | } | 
| 851 | < | _loop29:; | 
| 851 | > | _loop41:; | 
| 852 |  | } // ( ... )* | 
| 853 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 854 | < | tmp33_AST = astFactory->create(LT(1)); | 
| 855 | < | astFactory->addASTChild(currentAST, tmp33_AST); | 
| 853 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 854 | > | tmp49_AST = astFactory->create(LT(1)); | 
| 855 | > | astFactory->addASTChild(currentAST, tmp49_AST); | 
| 856 |  | match(RCURLY); | 
| 857 | < | #line 98 "MDParser.g" | 
| 858 | < | tmp33_AST->setType(ENDBLOCK); | 
| 859 | < | #line 614 "MDParser.cpp" | 
| 857 | > | #line 126 "MDParser.g" | 
| 858 | > | tmp49_AST->setType(ENDBLOCK); | 
| 859 | > | #line 860 "MDParser.cpp" | 
| 860 |  | bendblock_AST = currentAST.root; | 
| 861 |  | } | 
| 862 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 872 |  | ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 873 |  |  | 
| 874 |  | try {      // for error handling | 
| 875 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 876 | < | tmp34_AST = astFactory->create(LT(1)); | 
| 877 | < | astFactory->makeASTRoot(currentAST, tmp34_AST); | 
| 875 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp50_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 876 | > | tmp50_AST = astFactory->create(LT(1)); | 
| 877 | > | astFactory->makeASTRoot(currentAST, tmp50_AST); | 
| 878 |  | match(TORSION); | 
| 879 |  | { | 
| 880 |  | switch ( LA(1)) { | 
| 903 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 904 |  | } | 
| 905 |  | else { | 
| 906 | < | goto _loop34; | 
| 906 | > | goto _loop46; | 
| 907 |  | } | 
| 908 |  |  | 
| 909 |  | } | 
| 910 | < | _loop34:; | 
| 910 | > | _loop46:; | 
| 911 |  | } // ( ... )* | 
| 912 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 913 | < | tmp38_AST = astFactory->create(LT(1)); | 
| 914 | < | astFactory->addASTChild(currentAST, tmp38_AST); | 
| 912 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 913 | > | tmp54_AST = astFactory->create(LT(1)); | 
| 914 | > | astFactory->addASTChild(currentAST, tmp54_AST); | 
| 915 |  | match(RCURLY); | 
| 916 | < | #line 105 "MDParser.g" | 
| 917 | < | tmp38_AST->setType(ENDBLOCK); | 
| 918 | < | #line 673 "MDParser.cpp" | 
| 916 | > | #line 133 "MDParser.g" | 
| 917 | > | tmp54_AST->setType(ENDBLOCK); | 
| 918 | > | #line 919 "MDParser.cpp" | 
| 919 |  | torsionblock_AST = currentAST.root; | 
| 920 |  | } | 
| 921 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 923 |  | recover(ex,_tokenSet_8); | 
| 924 |  | } | 
| 925 |  | returnAST = torsionblock_AST; | 
| 926 | + | } | 
| 927 | + |  | 
| 928 | + | void MDParser::inversionblock() { | 
| 929 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 930 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 931 | + | ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 932 | + |  | 
| 933 | + | try {      // for error handling | 
| 934 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp55_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 935 | + | tmp55_AST = astFactory->create(LT(1)); | 
| 936 | + | astFactory->makeASTRoot(currentAST, tmp55_AST); | 
| 937 | + | match(INVERSION); | 
| 938 | + | { | 
| 939 | + | switch ( LA(1)) { | 
| 940 | + | case LBRACKET: | 
| 941 | + | { | 
| 942 | + | match(LBRACKET); | 
| 943 | + | intConst(); | 
| 944 | + | match(RBRACKET); | 
| 945 | + | break; | 
| 946 | + | } | 
| 947 | + | case LCURLY: | 
| 948 | + | { | 
| 949 | + | break; | 
| 950 | + | } | 
| 951 | + | default: | 
| 952 | + | { | 
| 953 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 954 | + | } | 
| 955 | + | } | 
| 956 | + | } | 
| 957 | + | match(LCURLY); | 
| 958 | + | { // ( ... )* | 
| 959 | + | for (;;) { | 
| 960 | + | if ((_tokenSet_10.member(LA(1)))) { | 
| 961 | + | inversionstatement(); | 
| 962 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 963 | + | } | 
| 964 | + | else { | 
| 965 | + | goto _loop51; | 
| 966 | + | } | 
| 967 | + |  | 
| 968 | + | } | 
| 969 | + | _loop51:; | 
| 970 | + | } // ( ... )* | 
| 971 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp59_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 972 | + | tmp59_AST = astFactory->create(LT(1)); | 
| 973 | + | astFactory->addASTChild(currentAST, tmp59_AST); | 
| 974 | + | match(RCURLY); | 
| 975 | + | #line 140 "MDParser.g" | 
| 976 | + | tmp59_AST->setType(ENDBLOCK); | 
| 977 | + | #line 978 "MDParser.cpp" | 
| 978 | + | inversionblock_AST = currentAST.root; | 
| 979 | + | } | 
| 980 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 981 | + | reportError(ex); | 
| 982 | + | recover(ex,_tokenSet_8); | 
| 983 | + | } | 
| 984 | + | returnAST = inversionblock_AST; | 
| 985 |  | } | 
| 986 |  |  | 
| 987 |  | void MDParser::rigidbodyblock() { | 
| 990 |  | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 991 |  |  | 
| 992 |  | try {      // for error handling | 
| 993 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 994 | < | tmp39_AST = astFactory->create(LT(1)); | 
| 995 | < | astFactory->makeASTRoot(currentAST, tmp39_AST); | 
| 993 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp60_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 994 | > | tmp60_AST = astFactory->create(LT(1)); | 
| 995 | > | astFactory->makeASTRoot(currentAST, tmp60_AST); | 
| 996 |  | match(RIGIDBODY); | 
| 997 |  | match(LBRACKET); | 
| 998 |  | intConst(); | 
| 1006 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1007 |  | } | 
| 1008 |  | else { | 
| 1009 | < | goto _loop38; | 
| 1009 | > | goto _loop55; | 
| 1010 |  | } | 
| 1011 |  |  | 
| 1012 |  | } | 
| 1013 | < | _loop38:; | 
| 1013 | > | _loop55:; | 
| 1014 |  | } // ( ... )* | 
| 1015 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1016 | < | tmp43_AST = astFactory->create(LT(1)); | 
| 1017 | < | astFactory->addASTChild(currentAST, tmp43_AST); | 
| 1015 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp64_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1016 | > | tmp64_AST = astFactory->create(LT(1)); | 
| 1017 | > | astFactory->addASTChild(currentAST, tmp64_AST); | 
| 1018 |  | match(RCURLY); | 
| 1019 | < | #line 112 "MDParser.g" | 
| 1020 | < | tmp43_AST->setType(ENDBLOCK); | 
| 1021 | < | #line 717 "MDParser.cpp" | 
| 1019 | > | #line 148 "MDParser.g" | 
| 1020 | > | tmp64_AST->setType(ENDBLOCK); | 
| 1021 | > | #line 1022 "MDParser.cpp" | 
| 1022 |  | rigidbodyblock_AST = currentAST.root; | 
| 1023 |  | } | 
| 1024 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1034 |  | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1035 |  |  | 
| 1036 |  | try {      // for error handling | 
| 1037 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1038 | < | tmp44_AST = astFactory->create(LT(1)); | 
| 1039 | < | astFactory->makeASTRoot(currentAST, tmp44_AST); | 
| 1037 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp65_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1038 | > | tmp65_AST = astFactory->create(LT(1)); | 
| 1039 | > | astFactory->makeASTRoot(currentAST, tmp65_AST); | 
| 1040 |  | match(CUTOFFGROUP); | 
| 1041 |  | { | 
| 1042 |  | switch ( LA(1)) { | 
| 1065 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1066 |  | } | 
| 1067 |  | else { | 
| 1068 | < | goto _loop43; | 
| 1068 | > | goto _loop60; | 
| 1069 |  | } | 
| 1070 |  |  | 
| 1071 |  | } | 
| 1072 | < | _loop43:; | 
| 1072 | > | _loop60:; | 
| 1073 |  | } // ( ... )* | 
| 1074 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1075 | < | tmp48_AST = astFactory->create(LT(1)); | 
| 1076 | < | astFactory->addASTChild(currentAST, tmp48_AST); | 
| 1074 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp69_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1075 | > | tmp69_AST = astFactory->create(LT(1)); | 
| 1076 | > | astFactory->addASTChild(currentAST, tmp69_AST); | 
| 1077 |  | match(RCURLY); | 
| 1078 | < | #line 119 "MDParser.g" | 
| 1079 | < | tmp48_AST->setType(ENDBLOCK); | 
| 1080 | < | #line 776 "MDParser.cpp" | 
| 1078 | > | #line 155 "MDParser.g" | 
| 1079 | > | tmp69_AST->setType(ENDBLOCK); | 
| 1080 | > | #line 1081 "MDParser.cpp" | 
| 1081 |  | cutoffgroupblock_AST = currentAST.root; | 
| 1082 |  | } | 
| 1083 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1093 |  | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1094 |  |  | 
| 1095 |  | try {      // for error handling | 
| 1096 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1097 | < | tmp49_AST = astFactory->create(LT(1)); | 
| 1098 | < | astFactory->makeASTRoot(currentAST, tmp49_AST); | 
| 1096 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp70_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1097 | > | tmp70_AST = astFactory->create(LT(1)); | 
| 1098 | > | astFactory->makeASTRoot(currentAST, tmp70_AST); | 
| 1099 |  | match(FRAGMENT); | 
| 1100 |  | match(LBRACKET); | 
| 1101 |  | intConst(); | 
| 1109 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1110 |  | } | 
| 1111 |  | else { | 
| 1112 | < | goto _loop47; | 
| 1112 | > | goto _loop64; | 
| 1113 |  | } | 
| 1114 |  |  | 
| 1115 |  | } | 
| 1116 | < | _loop47:; | 
| 1116 | > | _loop64:; | 
| 1117 |  | } // ( ... )* | 
| 1118 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1119 | < | tmp53_AST = astFactory->create(LT(1)); | 
| 1120 | < | astFactory->addASTChild(currentAST, tmp53_AST); | 
| 1118 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp74_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1119 | > | tmp74_AST = astFactory->create(LT(1)); | 
| 1120 | > | astFactory->addASTChild(currentAST, tmp74_AST); | 
| 1121 |  | match(RCURLY); | 
| 1122 | < | #line 126 "MDParser.g" | 
| 1123 | < | tmp53_AST->setType(ENDBLOCK); | 
| 1124 | < | #line 820 "MDParser.cpp" | 
| 1122 | > | #line 162 "MDParser.g" | 
| 1123 | > | tmp74_AST->setType(ENDBLOCK); | 
| 1124 | > | #line 1125 "MDParser.cpp" | 
| 1125 |  | fragmentblock_AST = currentAST.root; | 
| 1126 |  | } | 
| 1127 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1131 |  | returnAST = fragmentblock_AST; | 
| 1132 |  | } | 
| 1133 |  |  | 
| 1134 | + | void MDParser::constraintblock() { | 
| 1135 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1136 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1137 | + | ANTLR_USE_NAMESPACE(antlr)RefAST constraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1138 | + |  | 
| 1139 | + | try {      // for error handling | 
| 1140 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp75_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1141 | + | tmp75_AST = astFactory->create(LT(1)); | 
| 1142 | + | astFactory->makeASTRoot(currentAST, tmp75_AST); | 
| 1143 | + | match(CONSTRAINT); | 
| 1144 | + | { | 
| 1145 | + | switch ( LA(1)) { | 
| 1146 | + | case LBRACKET: | 
| 1147 | + | { | 
| 1148 | + | match(LBRACKET); | 
| 1149 | + | intConst(); | 
| 1150 | + | match(RBRACKET); | 
| 1151 | + | break; | 
| 1152 | + | } | 
| 1153 | + | case LCURLY: | 
| 1154 | + | { | 
| 1155 | + | break; | 
| 1156 | + | } | 
| 1157 | + | default: | 
| 1158 | + | { | 
| 1159 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1160 | + | } | 
| 1161 | + | } | 
| 1162 | + | } | 
| 1163 | + | match(LCURLY); | 
| 1164 | + | { // ( ... )* | 
| 1165 | + | for (;;) { | 
| 1166 | + | if ((LA(1) == MEMBERS || LA(1) == ID)) { | 
| 1167 | + | constraintstatement(); | 
| 1168 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1169 | + | } | 
| 1170 | + | else { | 
| 1171 | + | goto _loop69; | 
| 1172 | + | } | 
| 1173 | + |  | 
| 1174 | + | } | 
| 1175 | + | _loop69:; | 
| 1176 | + | } // ( ... )* | 
| 1177 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp79_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1178 | + | tmp79_AST = astFactory->create(LT(1)); | 
| 1179 | + | astFactory->addASTChild(currentAST, tmp79_AST); | 
| 1180 | + | match(RCURLY); | 
| 1181 | + | #line 168 "MDParser.g" | 
| 1182 | + | tmp79_AST->setType(ENDBLOCK); | 
| 1183 | + | #line 1184 "MDParser.cpp" | 
| 1184 | + | constraintblock_AST = currentAST.root; | 
| 1185 | + | } | 
| 1186 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1187 | + | reportError(ex); | 
| 1188 | + | recover(ex,_tokenSet_8); | 
| 1189 | + | } | 
| 1190 | + | returnAST = constraintblock_AST; | 
| 1191 | + | } | 
| 1192 | + |  | 
| 1193 |  | void MDParser::atomstatement() { | 
| 1194 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1195 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1206 |  | } | 
| 1207 |  | case POSITION: | 
| 1208 |  | { | 
| 1209 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1210 | < | tmp54_AST = astFactory->create(LT(1)); | 
| 1211 | < | astFactory->makeASTRoot(currentAST, tmp54_AST); | 
| 1209 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1210 | > | tmp80_AST = astFactory->create(LT(1)); | 
| 1211 | > | astFactory->makeASTRoot(currentAST, tmp80_AST); | 
| 1212 |  | match(POSITION); | 
| 1213 |  | match(LPAREN); | 
| 1214 |  | doubleNumberTuple(); | 
| 1220 |  | } | 
| 1221 |  | case ORIENTATION: | 
| 1222 |  | { | 
| 1223 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1224 | < | tmp58_AST = astFactory->create(LT(1)); | 
| 1225 | < | astFactory->makeASTRoot(currentAST, tmp58_AST); | 
| 1223 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp84_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1224 | > | tmp84_AST = astFactory->create(LT(1)); | 
| 1225 | > | astFactory->makeASTRoot(currentAST, tmp84_AST); | 
| 1226 |  | match(ORIENTATION); | 
| 1227 |  | match(LPAREN); | 
| 1228 |  | doubleNumberTuple(); | 
| 1240 |  | } | 
| 1241 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1242 |  | reportError(ex); | 
| 1243 | < | recover(ex,_tokenSet_10); | 
| 1243 | > | recover(ex,_tokenSet_11); | 
| 1244 |  | } | 
| 1245 |  | returnAST = atomstatement_AST; | 
| 1246 |  | } | 
| 1261 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1262 |  | } | 
| 1263 |  | else { | 
| 1264 | < | goto _loop51; | 
| 1264 | > | goto _loop73; | 
| 1265 |  | } | 
| 1266 |  |  | 
| 1267 |  | } | 
| 1268 | < | _loop51:; | 
| 1268 | > | _loop73:; | 
| 1269 |  | } // ( ... )* | 
| 1270 |  | doubleNumberTuple_AST = currentAST.root; | 
| 1271 |  | } | 
| 1272 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1273 |  | reportError(ex); | 
| 1274 | < | recover(ex,_tokenSet_11); | 
| 1274 | > | recover(ex,_tokenSet_12); | 
| 1275 |  | } | 
| 1276 |  | returnAST = doubleNumberTuple_AST; | 
| 1277 |  | } | 
| 1292 |  | } | 
| 1293 |  | case MEMBERS: | 
| 1294 |  | { | 
| 1295 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1296 | < | tmp63_AST = astFactory->create(LT(1)); | 
| 1297 | < | astFactory->makeASTRoot(currentAST, tmp63_AST); | 
| 1295 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp89_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1296 | > | tmp89_AST = astFactory->create(LT(1)); | 
| 1297 | > | astFactory->makeASTRoot(currentAST, tmp89_AST); | 
| 1298 |  | match(MEMBERS); | 
| 1299 |  | match(LPAREN); | 
| 1300 |  | inttuple(); | 
| 1312 |  | } | 
| 1313 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1314 |  | reportError(ex); | 
| 1315 | < | recover(ex,_tokenSet_12); | 
| 1315 | > | recover(ex,_tokenSet_13); | 
| 1316 |  | } | 
| 1317 |  | returnAST = bondstatement_AST; | 
| 1318 |  | } | 
| 1333 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1334 |  | } | 
| 1335 |  | else { | 
| 1336 | < | goto _loop54; | 
| 1336 | > | goto _loop76; | 
| 1337 |  | } | 
| 1338 |  |  | 
| 1339 |  | } | 
| 1340 | < | _loop54:; | 
| 1340 | > | _loop76:; | 
| 1341 |  | } // ( ... )* | 
| 1342 |  | inttuple_AST = currentAST.root; | 
| 1343 |  | } | 
| 1344 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1345 |  | reportError(ex); | 
| 1346 | < | recover(ex,_tokenSet_11); | 
| 1346 | > | recover(ex,_tokenSet_12); | 
| 1347 |  | } | 
| 1348 |  | returnAST = inttuple_AST; | 
| 1349 |  | } | 
| 1364 |  | } | 
| 1365 |  | case MEMBERS: | 
| 1366 |  | { | 
| 1367 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1368 | < | tmp68_AST = astFactory->create(LT(1)); | 
| 1369 | < | astFactory->makeASTRoot(currentAST, tmp68_AST); | 
| 1367 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp94_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1368 | > | tmp94_AST = astFactory->create(LT(1)); | 
| 1369 | > | astFactory->makeASTRoot(currentAST, tmp94_AST); | 
| 1370 |  | match(MEMBERS); | 
| 1371 |  | match(LPAREN); | 
| 1372 |  | inttuple(); | 
| 1384 |  | } | 
| 1385 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1386 |  | reportError(ex); | 
| 1387 | < | recover(ex,_tokenSet_12); | 
| 1387 | > | recover(ex,_tokenSet_13); | 
| 1388 |  | } | 
| 1389 |  | returnAST = bendstatement_AST; | 
| 1390 |  | } | 
| 1405 |  | } | 
| 1406 |  | case MEMBERS: | 
| 1407 |  | { | 
| 1408 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1409 | < | tmp72_AST = astFactory->create(LT(1)); | 
| 1410 | < | astFactory->makeASTRoot(currentAST, tmp72_AST); | 
| 1408 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp98_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1409 | > | tmp98_AST = astFactory->create(LT(1)); | 
| 1410 | > | astFactory->makeASTRoot(currentAST, tmp98_AST); | 
| 1411 |  | match(MEMBERS); | 
| 1412 |  | match(LPAREN); | 
| 1413 |  | inttuple(); | 
| 1425 |  | } | 
| 1426 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1427 |  | reportError(ex); | 
| 1428 | < | recover(ex,_tokenSet_12); | 
| 1428 | > | recover(ex,_tokenSet_13); | 
| 1429 |  | } | 
| 1430 |  | returnAST = torsionstatement_AST; | 
| 1431 |  | } | 
| 1432 |  |  | 
| 1433 | + | void MDParser::inversionstatement() { | 
| 1434 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1435 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1436 | + | ANTLR_USE_NAMESPACE(antlr)RefAST inversionstatement_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1437 | + |  | 
| 1438 | + | try {      // for error handling | 
| 1439 | + | switch ( LA(1)) { | 
| 1440 | + | case ID: | 
| 1441 | + | { | 
| 1442 | + | assignment(); | 
| 1443 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1444 | + | inversionstatement_AST = currentAST.root; | 
| 1445 | + | break; | 
| 1446 | + | } | 
| 1447 | + | case CENTER: | 
| 1448 | + | { | 
| 1449 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp102_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1450 | + | tmp102_AST = astFactory->create(LT(1)); | 
| 1451 | + | astFactory->makeASTRoot(currentAST, tmp102_AST); | 
| 1452 | + | match(CENTER); | 
| 1453 | + | match(LPAREN); | 
| 1454 | + | intConst(); | 
| 1455 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1456 | + | match(RPAREN); | 
| 1457 | + | match(SEMICOLON); | 
| 1458 | + | inversionstatement_AST = currentAST.root; | 
| 1459 | + | break; | 
| 1460 | + | } | 
| 1461 | + | case SATELLITES: | 
| 1462 | + | { | 
| 1463 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp106_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1464 | + | tmp106_AST = astFactory->create(LT(1)); | 
| 1465 | + | astFactory->makeASTRoot(currentAST, tmp106_AST); | 
| 1466 | + | match(SATELLITES); | 
| 1467 | + | match(LPAREN); | 
| 1468 | + | inttuple(); | 
| 1469 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1470 | + | match(RPAREN); | 
| 1471 | + | match(SEMICOLON); | 
| 1472 | + | inversionstatement_AST = currentAST.root; | 
| 1473 | + | break; | 
| 1474 | + | } | 
| 1475 | + | default: | 
| 1476 | + | { | 
| 1477 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1478 | + | } | 
| 1479 | + | } | 
| 1480 | + | } | 
| 1481 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1482 | + | reportError(ex); | 
| 1483 | + | recover(ex,_tokenSet_14); | 
| 1484 | + | } | 
| 1485 | + | returnAST = inversionstatement_AST; | 
| 1486 | + | } | 
| 1487 | + |  | 
| 1488 |  | void MDParser::rigidbodystatement() { | 
| 1489 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1490 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1501 |  | } | 
| 1502 |  | case MEMBERS: | 
| 1503 |  | { | 
| 1504 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp76_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1505 | < | tmp76_AST = astFactory->create(LT(1)); | 
| 1506 | < | astFactory->makeASTRoot(currentAST, tmp76_AST); | 
| 1504 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp110_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1505 | > | tmp110_AST = astFactory->create(LT(1)); | 
| 1506 | > | astFactory->makeASTRoot(currentAST, tmp110_AST); | 
| 1507 |  | match(MEMBERS); | 
| 1508 |  | match(LPAREN); | 
| 1509 |  | inttuple(); | 
| 1521 |  | } | 
| 1522 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1523 |  | reportError(ex); | 
| 1524 | < | recover(ex,_tokenSet_12); | 
| 1524 | > | recover(ex,_tokenSet_13); | 
| 1525 |  | } | 
| 1526 |  | returnAST = rigidbodystatement_AST; | 
| 1527 |  | } | 
| 1542 |  | } | 
| 1543 |  | case MEMBERS: | 
| 1544 |  | { | 
| 1545 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1546 | < | tmp80_AST = astFactory->create(LT(1)); | 
| 1547 | < | astFactory->makeASTRoot(currentAST, tmp80_AST); | 
| 1545 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp114_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1546 | > | tmp114_AST = astFactory->create(LT(1)); | 
| 1547 | > | astFactory->makeASTRoot(currentAST, tmp114_AST); | 
| 1548 |  | match(MEMBERS); | 
| 1549 |  | match(LPAREN); | 
| 1550 |  | inttuple(); | 
| 1562 |  | } | 
| 1563 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1564 |  | reportError(ex); | 
| 1565 | < | recover(ex,_tokenSet_12); | 
| 1565 | > | recover(ex,_tokenSet_13); | 
| 1566 |  | } | 
| 1567 |  | returnAST = cutoffgroupstatement_AST; | 
| 1568 |  | } | 
| 1579 |  | } | 
| 1580 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1581 |  | reportError(ex); | 
| 1582 | < | recover(ex,_tokenSet_13); | 
| 1582 | > | recover(ex,_tokenSet_15); | 
| 1583 |  | } | 
| 1584 |  | returnAST = fragmentstatement_AST; | 
| 1585 |  | } | 
| 1586 |  |  | 
| 1587 | + | void MDParser::constraintstatement() { | 
| 1588 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1589 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1590 | + | ANTLR_USE_NAMESPACE(antlr)RefAST constraintstatement_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1591 | + |  | 
| 1592 | + | try {      // for error handling | 
| 1593 | + | switch ( LA(1)) { | 
| 1594 | + | case ID: | 
| 1595 | + | { | 
| 1596 | + | assignment(); | 
| 1597 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1598 | + | constraintstatement_AST = currentAST.root; | 
| 1599 | + | break; | 
| 1600 | + | } | 
| 1601 | + | case MEMBERS: | 
| 1602 | + | { | 
| 1603 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp118_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1604 | + | tmp118_AST = astFactory->create(LT(1)); | 
| 1605 | + | astFactory->makeASTRoot(currentAST, tmp118_AST); | 
| 1606 | + | match(MEMBERS); | 
| 1607 | + | match(LPAREN); | 
| 1608 | + | inttuple(); | 
| 1609 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1610 | + | match(RPAREN); | 
| 1611 | + | match(SEMICOLON); | 
| 1612 | + | constraintstatement_AST = currentAST.root; | 
| 1613 | + | break; | 
| 1614 | + | } | 
| 1615 | + | default: | 
| 1616 | + | { | 
| 1617 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1618 | + | } | 
| 1619 | + | } | 
| 1620 | + | } | 
| 1621 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1622 | + | reportError(ex); | 
| 1623 | + | recover(ex,_tokenSet_13); | 
| 1624 | + | } | 
| 1625 | + | returnAST = constraintstatement_AST; | 
| 1626 | + | } | 
| 1627 | + |  | 
| 1628 |  | void MDParser::doubleNumber() { | 
| 1629 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1630 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1657 |  | } | 
| 1658 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1659 |  | reportError(ex); | 
| 1660 | < | recover(ex,_tokenSet_14); | 
| 1660 | > | recover(ex,_tokenSet_16); | 
| 1661 |  | } | 
| 1662 |  | returnAST = doubleNumber_AST; | 
| 1663 |  | } | 
| 1664 |  |  | 
| 1665 |  | void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) | 
| 1666 |  | { | 
| 1667 | < | factory.setMaxNodeType(50); | 
| 1667 | > | factory.setMaxNodeType(59); | 
| 1668 |  | } | 
| 1669 |  | const char* MDParser::tokenNames[] = { | 
| 1670 |  | "<0>", | 
| 1674 |  | "\"component\"", | 
| 1675 |  | "\"molecule\"", | 
| 1676 |  | "\"zconstraint\"", | 
| 1677 | + | "\"restraint\"", | 
| 1678 |  | "\"atom\"", | 
| 1679 |  | "\"bond\"", | 
| 1680 |  | "\"bend\"", | 
| 1681 |  | "\"torsion\"", | 
| 1682 | + | "\"inversion\"", | 
| 1683 |  | "\"rigidBody\"", | 
| 1684 |  | "\"cutoffGroup\"", | 
| 1685 | + | "\"constraint\"", | 
| 1686 | + | "\"distance\"", | 
| 1687 |  | "\"fragment\"", | 
| 1688 |  | "\"members\"", | 
| 1689 | + | "\"center\"", | 
| 1690 | + | "\"satellites\"", | 
| 1691 |  | "\"position\"", | 
| 1692 |  | "\"orientation\"", | 
| 1693 | + | "\"flucQ\"", | 
| 1694 | + | "\"RNEMD\"", | 
| 1695 | + | "\"minimizer\"", | 
| 1696 |  | "ENDBLOCK", | 
| 1697 |  | "ID", | 
| 1698 |  | "ASSIGNEQUAL", | 
| 1730 |  | 0 | 
| 1731 |  | }; | 
| 1732 |  |  | 
| 1733 | < | const unsigned long MDParser::_tokenSet_0_data_[] = { 262256UL, 0UL, 0UL, 0UL }; | 
| 1734 | < | // "component" "molecule" "zconstraint" ID | 
| 1733 | > | const unsigned long MDParser::_tokenSet_0_data_[] = { 192938224UL, 0UL, 0UL, 0UL }; | 
| 1734 | > | // "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer" | 
| 1735 | > | // ID | 
| 1736 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 1737 |  | const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL }; | 
| 1738 |  | // EOF | 
| 1739 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 1740 | < | const unsigned long MDParser::_tokenSet_2_data_[] = { 262258UL, 0UL, 0UL, 0UL }; | 
| 1741 | < | // EOF "component" "molecule" "zconstraint" ID | 
| 1740 | > | const unsigned long MDParser::_tokenSet_2_data_[] = { 192938226UL, 0UL, 0UL, 0UL }; | 
| 1741 | > | // EOF "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" | 
| 1742 | > | // "minimizer" ID | 
| 1743 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4); | 
| 1744 | < | const unsigned long MDParser::_tokenSet_3_data_[] = { 8781810UL, 0UL, 0UL, 0UL }; | 
| 1745 | < | // EOF "component" "molecule" "zconstraint" "atom" "bond" "bend" "torsion" | 
| 1746 | < | // "rigidBody" "cutoffGroup" "fragment" "members" "position" "orientation" | 
| 1747 | < | // ID RCURLY | 
| 1744 | > | const unsigned long MDParser::_tokenSet_3_data_[] = { 201261042UL, 1UL, 0UL, 0UL }; | 
| 1745 | > | // EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend" | 
| 1746 | > | // "torsion" "inversion" "rigidBody" "cutoffGroup" "constraint" "fragment" | 
| 1747 | > | // "members" "center" "satellites" "position" "orientation" "flucQ" "RNEMD" | 
| 1748 | > | // "minimizer" ID RCURLY | 
| 1749 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4); | 
| 1750 | < | const unsigned long MDParser::_tokenSet_4_data_[] = { 278400UL, 0UL, 0UL, 0UL }; | 
| 1751 | < | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1752 | < | // ID | 
| 1750 | > | const unsigned long MDParser::_tokenSet_4_data_[] = { 134414080UL, 0UL, 0UL, 0UL }; | 
| 1751 | > | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1752 | > | // "constraint" "fragment" ID | 
| 1753 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4); | 
| 1754 | < | const unsigned long MDParser::_tokenSet_5_data_[] = { 1048576UL, 0UL, 0UL, 0UL }; | 
| 1754 | > | const unsigned long MDParser::_tokenSet_5_data_[] = { 536870912UL, 0UL, 0UL, 0UL }; | 
| 1755 |  | // SEMICOLON | 
| 1756 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4); | 
| 1757 | < | const unsigned long MDParser::_tokenSet_6_data_[] = { 437256192UL, 0UL, 0UL, 0UL }; | 
| 1757 | > | const unsigned long MDParser::_tokenSet_6_data_[] = { 536870912UL, 52UL, 0UL, 0UL }; | 
| 1758 |  | // SEMICOLON RBRACKET RPAREN COMMA | 
| 1759 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4); | 
| 1760 | < | const unsigned long MDParser::_tokenSet_7_data_[] = { 403701760UL, 0UL, 0UL, 0UL }; | 
| 1760 | > | const unsigned long MDParser::_tokenSet_7_data_[] = { 536870912UL, 48UL, 0UL, 0UL }; | 
| 1761 |  | // SEMICOLON RPAREN COMMA | 
| 1762 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4); | 
| 1763 | < | const unsigned long MDParser::_tokenSet_8_data_[] = { 8667008UL, 0UL, 0UL, 0UL }; | 
| 1764 | < | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1765 | < | // ID RCURLY | 
| 1763 | > | const unsigned long MDParser::_tokenSet_8_data_[] = { 134414080UL, 1UL, 0UL, 0UL }; | 
| 1764 | > | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1765 | > | // "constraint" "fragment" ID RCURLY | 
| 1766 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4); | 
| 1767 | < | const unsigned long MDParser::_tokenSet_9_data_[] = { 360448UL, 0UL, 0UL, 0UL }; | 
| 1767 | > | const unsigned long MDParser::_tokenSet_9_data_[] = { 140509184UL, 0UL, 0UL, 0UL }; | 
| 1768 |  | // "position" "orientation" ID | 
| 1769 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4); | 
| 1770 | < | const unsigned long MDParser::_tokenSet_10_data_[] = { 8749056UL, 0UL, 0UL, 0UL }; | 
| 1771 | < | // "position" "orientation" ID RCURLY | 
| 1770 | > | const unsigned long MDParser::_tokenSet_10_data_[] = { 135790592UL, 0UL, 0UL, 0UL }; | 
| 1771 | > | // "center" "satellites" ID | 
| 1772 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4); | 
| 1773 | < | const unsigned long MDParser::_tokenSet_11_data_[] = { 134217728UL, 0UL, 0UL, 0UL }; | 
| 1774 | < | // RPAREN | 
| 1773 | > | const unsigned long MDParser::_tokenSet_11_data_[] = { 140509184UL, 1UL, 0UL, 0UL }; | 
| 1774 | > | // "position" "orientation" ID RCURLY | 
| 1775 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4); | 
| 1776 | < | const unsigned long MDParser::_tokenSet_12_data_[] = { 8667136UL, 0UL, 0UL, 0UL }; | 
| 1777 | < | // "members" ID RCURLY | 
| 1776 | > | const unsigned long MDParser::_tokenSet_12_data_[] = { 0UL, 16UL, 0UL, 0UL }; | 
| 1777 | > | // RPAREN | 
| 1778 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4); | 
| 1779 | < | const unsigned long MDParser::_tokenSet_13_data_[] = { 8650752UL, 0UL, 0UL, 0UL }; | 
| 1780 | < | // ID RCURLY | 
| 1779 | > | const unsigned long MDParser::_tokenSet_13_data_[] = { 134479872UL, 1UL, 0UL, 0UL }; | 
| 1780 | > | // "members" ID RCURLY | 
| 1781 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4); | 
| 1782 | < | const unsigned long MDParser::_tokenSet_14_data_[] = { 402653184UL, 0UL, 0UL, 0UL }; | 
| 1783 | < | // RPAREN COMMA | 
| 1782 | > | const unsigned long MDParser::_tokenSet_14_data_[] = { 135790592UL, 1UL, 0UL, 0UL }; | 
| 1783 | > | // "center" "satellites" ID RCURLY | 
| 1784 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4); | 
| 1785 | + | const unsigned long MDParser::_tokenSet_15_data_[] = { 134217728UL, 1UL, 0UL, 0UL }; | 
| 1786 | + | // ID RCURLY | 
| 1787 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4); | 
| 1788 | + | const unsigned long MDParser::_tokenSet_16_data_[] = { 0UL, 48UL, 0UL, 0UL }; | 
| 1789 | + | // RPAREN COMMA | 
| 1790 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_16(_tokenSet_16_data_,4); | 
| 1791 |  |  | 
| 1792 |  |  |