| 1 | < | /* $ANTLR 2.7.4: "MDParser.g" -> "MDParser.cpp"$ */ | 
| 1 | > | /* $ANTLR 2.7.7 (20080702): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 2 |  | #include "MDParser.hpp" | 
| 3 |  | #include <antlr/NoViableAltException.hpp> | 
| 4 |  | #include <antlr/SemanticException.hpp> | 
| 53 |  | } | 
| 54 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 55 |  | reportError(ex); | 
| 56 | < | consume(); | 
| 57 | < | consumeUntil(_tokenSet_1); | 
| 56 | > | recover(ex,_tokenSet_1); | 
| 57 |  | } | 
| 58 |  | returnAST = mdfile_AST; | 
| 59 |  | } | 
| 101 |  | } | 
| 102 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 103 |  | reportError(ex); | 
| 104 | < | consume(); | 
| 106 | < | consumeUntil(_tokenSet_2); | 
| 104 | > | recover(ex,_tokenSet_2); | 
| 105 |  | } | 
| 106 |  | returnAST = statement_AST; | 
| 107 |  | } | 
| 127 |  | } | 
| 128 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 129 |  | reportError(ex); | 
| 130 | < | consume(); | 
| 133 | < | consumeUntil(_tokenSet_3); | 
| 130 | > | recover(ex,_tokenSet_3); | 
| 131 |  | } | 
| 132 |  | returnAST = assignment_AST; | 
| 133 |  | } | 
| 162 |  | match(RCURLY); | 
| 163 |  | #line 65 "MDParser.g" | 
| 164 |  | tmp6_AST->setType(ENDBLOCK); | 
| 165 | < | #line 169 "MDParser.cpp" | 
| 165 | > | #line 166 "MDParser.cpp" | 
| 166 |  | componentblock_AST = currentAST.root; | 
| 167 |  | } | 
| 168 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 169 |  | reportError(ex); | 
| 170 | < | consume(); | 
| 174 | < | consumeUntil(_tokenSet_2); | 
| 170 | > | recover(ex,_tokenSet_2); | 
| 171 |  | } | 
| 172 |  | returnAST = componentblock_AST; | 
| 173 |  | } | 
| 202 |  | match(RCURLY); | 
| 203 |  | #line 71 "MDParser.g" | 
| 204 |  | tmp9_AST->setType(ENDBLOCK); | 
| 205 | < | #line 210 "MDParser.cpp" | 
| 205 | > | #line 206 "MDParser.cpp" | 
| 206 |  | moleculeblock_AST = currentAST.root; | 
| 207 |  | } | 
| 208 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 209 |  | reportError(ex); | 
| 210 | < | consume(); | 
| 215 | < | consumeUntil(_tokenSet_2); | 
| 210 | > | recover(ex,_tokenSet_2); | 
| 211 |  | } | 
| 212 |  | returnAST = moleculeblock_AST; | 
| 213 |  | } | 
| 242 |  | match(RCURLY); | 
| 243 |  | #line 68 "MDParser.g" | 
| 244 |  | tmp12_AST->setType(ENDBLOCK); | 
| 245 | < | #line 251 "MDParser.cpp" | 
| 245 | > | #line 246 "MDParser.cpp" | 
| 246 |  | zconstraintblock_AST = currentAST.root; | 
| 247 |  | } | 
| 248 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 249 |  | reportError(ex); | 
| 250 | < | consume(); | 
| 256 | < | consumeUntil(_tokenSet_2); | 
| 250 | > | recover(ex,_tokenSet_2); | 
| 251 |  | } | 
| 252 |  | returnAST = zconstraintblock_AST; | 
| 253 |  | } | 
| 301 |  | } | 
| 302 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 303 |  | reportError(ex); | 
| 304 | < | consume(); | 
| 311 | < | consumeUntil(_tokenSet_5); | 
| 304 | > | recover(ex,_tokenSet_5); | 
| 305 |  | } | 
| 306 |  | returnAST = constant_AST; | 
| 307 |  | } | 
| 339 |  | } | 
| 340 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 341 |  | reportError(ex); | 
| 342 | < | consume(); | 
| 350 | < | consumeUntil(_tokenSet_6); | 
| 342 | > | recover(ex,_tokenSet_6); | 
| 343 |  | } | 
| 344 |  | returnAST = intConst_AST; | 
| 345 |  | } | 
| 377 |  | } | 
| 378 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 379 |  | reportError(ex); | 
| 380 | < | consume(); | 
| 389 | < | consumeUntil(_tokenSet_7); | 
| 380 | > | recover(ex,_tokenSet_7); | 
| 381 |  | } | 
| 382 |  | returnAST = floatConst_AST; | 
| 383 |  | } | 
| 424 |  | moleculestatement_AST = currentAST.root; | 
| 425 |  | break; | 
| 426 |  | } | 
| 427 | + | case INVERSION: | 
| 428 | + | { | 
| 429 | + | inversionblock(); | 
| 430 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 431 | + | moleculestatement_AST = currentAST.root; | 
| 432 | + | break; | 
| 433 | + | } | 
| 434 |  | case RIGIDBODY: | 
| 435 |  | { | 
| 436 |  | rigidbodyblock(); | 
| 460 |  | } | 
| 461 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 462 |  | reportError(ex); | 
| 463 | < | consume(); | 
| 466 | < | consumeUntil(_tokenSet_8); | 
| 463 | > | recover(ex,_tokenSet_8); | 
| 464 |  | } | 
| 465 |  | returnAST = moleculestatement_AST; | 
| 466 |  | } | 
| 497 |  | tmp23_AST = astFactory->create(LT(1)); | 
| 498 |  | astFactory->addASTChild(currentAST, tmp23_AST); | 
| 499 |  | match(RCURLY); | 
| 500 | < | #line 84 "MDParser.g" | 
| 500 | > | #line 85 "MDParser.g" | 
| 501 |  | tmp23_AST->setType(ENDBLOCK); | 
| 502 | < | #line 506 "MDParser.cpp" | 
| 502 | > | #line 503 "MDParser.cpp" | 
| 503 |  | atomblock_AST = currentAST.root; | 
| 504 |  | } | 
| 505 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 506 |  | reportError(ex); | 
| 507 | < | consume(); | 
| 511 | < | consumeUntil(_tokenSet_8); | 
| 507 | > | recover(ex,_tokenSet_8); | 
| 508 |  | } | 
| 509 |  | returnAST = atomblock_AST; | 
| 510 |  | } | 
| 556 |  | tmp28_AST = astFactory->create(LT(1)); | 
| 557 |  | astFactory->addASTChild(currentAST, tmp28_AST); | 
| 558 |  | match(RCURLY); | 
| 559 | < | #line 93 "MDParser.g" | 
| 559 | > | #line 94 "MDParser.g" | 
| 560 |  | tmp28_AST->setType(ENDBLOCK); | 
| 561 | < | #line 566 "MDParser.cpp" | 
| 561 | > | #line 562 "MDParser.cpp" | 
| 562 |  | bondblock_AST = currentAST.root; | 
| 563 |  | } | 
| 564 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 565 |  | reportError(ex); | 
| 566 | < | consume(); | 
| 571 | < | consumeUntil(_tokenSet_8); | 
| 566 | > | recover(ex,_tokenSet_8); | 
| 567 |  | } | 
| 568 |  | returnAST = bondblock_AST; | 
| 569 |  | } | 
| 615 |  | tmp33_AST = astFactory->create(LT(1)); | 
| 616 |  | astFactory->addASTChild(currentAST, tmp33_AST); | 
| 617 |  | match(RCURLY); | 
| 618 | < | #line 100 "MDParser.g" | 
| 618 | > | #line 101 "MDParser.g" | 
| 619 |  | tmp33_AST->setType(ENDBLOCK); | 
| 620 | < | #line 626 "MDParser.cpp" | 
| 620 | > | #line 621 "MDParser.cpp" | 
| 621 |  | bendblock_AST = currentAST.root; | 
| 622 |  | } | 
| 623 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 624 |  | reportError(ex); | 
| 625 | < | consume(); | 
| 631 | < | consumeUntil(_tokenSet_8); | 
| 625 | > | recover(ex,_tokenSet_8); | 
| 626 |  | } | 
| 627 |  | returnAST = bendblock_AST; | 
| 628 |  | } | 
| 674 |  | tmp38_AST = astFactory->create(LT(1)); | 
| 675 |  | astFactory->addASTChild(currentAST, tmp38_AST); | 
| 676 |  | match(RCURLY); | 
| 677 | < | #line 107 "MDParser.g" | 
| 677 | > | #line 108 "MDParser.g" | 
| 678 |  | tmp38_AST->setType(ENDBLOCK); | 
| 679 | < | #line 686 "MDParser.cpp" | 
| 679 | > | #line 680 "MDParser.cpp" | 
| 680 |  | torsionblock_AST = currentAST.root; | 
| 681 |  | } | 
| 682 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 683 |  | reportError(ex); | 
| 684 | < | consume(); | 
| 691 | < | consumeUntil(_tokenSet_8); | 
| 684 | > | recover(ex,_tokenSet_8); | 
| 685 |  | } | 
| 686 |  | returnAST = torsionblock_AST; | 
| 687 |  | } | 
| 688 |  |  | 
| 689 | < | void MDParser::rigidbodyblock() { | 
| 689 | > | void MDParser::inversionblock() { | 
| 690 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 691 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 692 | < | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 692 | > | ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 693 |  |  | 
| 694 |  | try {      // for error handling | 
| 695 |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 696 |  | tmp39_AST = astFactory->create(LT(1)); | 
| 697 |  | astFactory->makeASTRoot(currentAST, tmp39_AST); | 
| 698 | + | match(INVERSION); | 
| 699 | + | { | 
| 700 | + | switch ( LA(1)) { | 
| 701 | + | case LBRACKET: | 
| 702 | + | { | 
| 703 | + | match(LBRACKET); | 
| 704 | + | intConst(); | 
| 705 | + | match(RBRACKET); | 
| 706 | + | break; | 
| 707 | + | } | 
| 708 | + | case LCURLY: | 
| 709 | + | { | 
| 710 | + | break; | 
| 711 | + | } | 
| 712 | + | default: | 
| 713 | + | { | 
| 714 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 715 | + | } | 
| 716 | + | } | 
| 717 | + | } | 
| 718 | + | match(LCURLY); | 
| 719 | + | { // ( ... )* | 
| 720 | + | for (;;) { | 
| 721 | + | if ((LA(1) == CENTER || LA(1) == ID)) { | 
| 722 | + | inversionstatement(); | 
| 723 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 724 | + | } | 
| 725 | + | else { | 
| 726 | + | goto _loop39; | 
| 727 | + | } | 
| 728 | + |  | 
| 729 | + | } | 
| 730 | + | _loop39:; | 
| 731 | + | } // ( ... )* | 
| 732 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 733 | + | tmp43_AST = astFactory->create(LT(1)); | 
| 734 | + | astFactory->addASTChild(currentAST, tmp43_AST); | 
| 735 | + | match(RCURLY); | 
| 736 | + | #line 115 "MDParser.g" | 
| 737 | + | tmp43_AST->setType(ENDBLOCK); | 
| 738 | + | #line 739 "MDParser.cpp" | 
| 739 | + | inversionblock_AST = currentAST.root; | 
| 740 | + | } | 
| 741 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 742 | + | reportError(ex); | 
| 743 | + | recover(ex,_tokenSet_8); | 
| 744 | + | } | 
| 745 | + | returnAST = inversionblock_AST; | 
| 746 | + | } | 
| 747 | + |  | 
| 748 | + | void MDParser::rigidbodyblock() { | 
| 749 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 750 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 751 | + | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 752 | + |  | 
| 753 | + | try {      // for error handling | 
| 754 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 755 | + | tmp44_AST = astFactory->create(LT(1)); | 
| 756 | + | astFactory->makeASTRoot(currentAST, tmp44_AST); | 
| 757 |  | match(RIGIDBODY); | 
| 758 |  | match(LBRACKET); | 
| 759 |  | intConst(); | 
| 773 |  | } | 
| 774 |  | _loop43:; | 
| 775 |  | } // ( ... )* | 
| 776 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 777 | < | tmp43_AST = astFactory->create(LT(1)); | 
| 778 | < | astFactory->addASTChild(currentAST, tmp43_AST); | 
| 776 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 777 | > | tmp48_AST = astFactory->create(LT(1)); | 
| 778 | > | astFactory->addASTChild(currentAST, tmp48_AST); | 
| 779 |  | match(RCURLY); | 
| 780 | < | #line 121 "MDParser.g" | 
| 781 | < | tmp43_AST->setType(ENDBLOCK); | 
| 782 | < | #line 731 "MDParser.cpp" | 
| 780 | > | #line 122 "MDParser.g" | 
| 781 | > | tmp48_AST->setType(ENDBLOCK); | 
| 782 | > | #line 783 "MDParser.cpp" | 
| 783 |  | rigidbodyblock_AST = currentAST.root; | 
| 784 |  | } | 
| 785 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 786 |  | reportError(ex); | 
| 787 | < | consume(); | 
| 736 | < | consumeUntil(_tokenSet_8); | 
| 787 | > | recover(ex,_tokenSet_8); | 
| 788 |  | } | 
| 789 |  | returnAST = rigidbodyblock_AST; | 
| 790 |  | } | 
| 795 |  | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 796 |  |  | 
| 797 |  | try {      // for error handling | 
| 798 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 799 | < | tmp44_AST = astFactory->create(LT(1)); | 
| 800 | < | astFactory->makeASTRoot(currentAST, tmp44_AST); | 
| 798 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 799 | > | tmp49_AST = astFactory->create(LT(1)); | 
| 800 | > | astFactory->makeASTRoot(currentAST, tmp49_AST); | 
| 801 |  | match(CUTOFFGROUP); | 
| 802 |  | { | 
| 803 |  | switch ( LA(1)) { | 
| 832 |  | } | 
| 833 |  | _loop48:; | 
| 834 |  | } // ( ... )* | 
| 835 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 836 | < | tmp48_AST = astFactory->create(LT(1)); | 
| 837 | < | astFactory->addASTChild(currentAST, tmp48_AST); | 
| 835 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 836 | > | tmp53_AST = astFactory->create(LT(1)); | 
| 837 | > | astFactory->addASTChild(currentAST, tmp53_AST); | 
| 838 |  | match(RCURLY); | 
| 839 | < | #line 128 "MDParser.g" | 
| 840 | < | tmp48_AST->setType(ENDBLOCK); | 
| 841 | < | #line 791 "MDParser.cpp" | 
| 839 | > | #line 129 "MDParser.g" | 
| 840 | > | tmp53_AST->setType(ENDBLOCK); | 
| 841 | > | #line 842 "MDParser.cpp" | 
| 842 |  | cutoffgroupblock_AST = currentAST.root; | 
| 843 |  | } | 
| 844 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 845 |  | reportError(ex); | 
| 846 | < | consume(); | 
| 796 | < | consumeUntil(_tokenSet_8); | 
| 846 | > | recover(ex,_tokenSet_8); | 
| 847 |  | } | 
| 848 |  | returnAST = cutoffgroupblock_AST; | 
| 849 |  | } | 
| 854 |  | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 855 |  |  | 
| 856 |  | try {      // for error handling | 
| 857 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 858 | < | tmp49_AST = astFactory->create(LT(1)); | 
| 859 | < | astFactory->makeASTRoot(currentAST, tmp49_AST); | 
| 857 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 858 | > | tmp54_AST = astFactory->create(LT(1)); | 
| 859 | > | astFactory->makeASTRoot(currentAST, tmp54_AST); | 
| 860 |  | match(FRAGMENT); | 
| 861 |  | match(LBRACKET); | 
| 862 |  | intConst(); | 
| 876 |  | } | 
| 877 |  | _loop52:; | 
| 878 |  | } // ( ... )* | 
| 879 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 880 | < | tmp53_AST = astFactory->create(LT(1)); | 
| 881 | < | astFactory->addASTChild(currentAST, tmp53_AST); | 
| 879 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 880 | > | tmp58_AST = astFactory->create(LT(1)); | 
| 881 | > | astFactory->addASTChild(currentAST, tmp58_AST); | 
| 882 |  | match(RCURLY); | 
| 883 | < | #line 135 "MDParser.g" | 
| 884 | < | tmp53_AST->setType(ENDBLOCK); | 
| 885 | < | #line 836 "MDParser.cpp" | 
| 883 | > | #line 136 "MDParser.g" | 
| 884 | > | tmp58_AST->setType(ENDBLOCK); | 
| 885 | > | #line 886 "MDParser.cpp" | 
| 886 |  | fragmentblock_AST = currentAST.root; | 
| 887 |  | } | 
| 888 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 889 |  | reportError(ex); | 
| 890 | < | consume(); | 
| 841 | < | consumeUntil(_tokenSet_8); | 
| 890 | > | recover(ex,_tokenSet_8); | 
| 891 |  | } | 
| 892 |  | returnAST = fragmentblock_AST; | 
| 893 |  | } | 
| 908 |  | } | 
| 909 |  | case POSITION: | 
| 910 |  | { | 
| 911 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 912 | < | tmp54_AST = astFactory->create(LT(1)); | 
| 913 | < | astFactory->makeASTRoot(currentAST, tmp54_AST); | 
| 911 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp59_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 912 | > | tmp59_AST = astFactory->create(LT(1)); | 
| 913 | > | astFactory->makeASTRoot(currentAST, tmp59_AST); | 
| 914 |  | match(POSITION); | 
| 915 |  | match(LPAREN); | 
| 916 |  | doubleNumberTuple(); | 
| 922 |  | } | 
| 923 |  | case ORIENTATION: | 
| 924 |  | { | 
| 925 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 926 | < | tmp58_AST = astFactory->create(LT(1)); | 
| 927 | < | astFactory->makeASTRoot(currentAST, tmp58_AST); | 
| 925 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 926 | > | tmp63_AST = astFactory->create(LT(1)); | 
| 927 | > | astFactory->makeASTRoot(currentAST, tmp63_AST); | 
| 928 |  | match(ORIENTATION); | 
| 929 |  | match(LPAREN); | 
| 930 |  | doubleNumberTuple(); | 
| 942 |  | } | 
| 943 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 944 |  | reportError(ex); | 
| 945 | < | consume(); | 
| 897 | < | consumeUntil(_tokenSet_10); | 
| 945 | > | recover(ex,_tokenSet_10); | 
| 946 |  | } | 
| 947 |  | returnAST = atomstatement_AST; | 
| 948 |  | } | 
| 973 |  | } | 
| 974 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 975 |  | reportError(ex); | 
| 976 | < | consume(); | 
| 929 | < | consumeUntil(_tokenSet_11); | 
| 976 | > | recover(ex,_tokenSet_11); | 
| 977 |  | } | 
| 978 |  | returnAST = doubleNumberTuple_AST; | 
| 979 |  | } | 
| 994 |  | } | 
| 995 |  | case MEMBERS: | 
| 996 |  | { | 
| 997 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 998 | < | tmp63_AST = astFactory->create(LT(1)); | 
| 999 | < | astFactory->makeASTRoot(currentAST, tmp63_AST); | 
| 997 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 998 | > | tmp68_AST = astFactory->create(LT(1)); | 
| 999 | > | astFactory->makeASTRoot(currentAST, tmp68_AST); | 
| 1000 |  | match(MEMBERS); | 
| 1001 |  | match(LPAREN); | 
| 1002 |  | inttuple(); | 
| 1014 |  | } | 
| 1015 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1016 |  | reportError(ex); | 
| 1017 | < | consume(); | 
| 971 | < | consumeUntil(_tokenSet_12); | 
| 1017 | > | recover(ex,_tokenSet_12); | 
| 1018 |  | } | 
| 1019 |  | returnAST = bondstatement_AST; | 
| 1020 |  | } | 
| 1045 |  | } | 
| 1046 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1047 |  | reportError(ex); | 
| 1048 | < | consume(); | 
| 1003 | < | consumeUntil(_tokenSet_11); | 
| 1048 | > | recover(ex,_tokenSet_11); | 
| 1049 |  | } | 
| 1050 |  | returnAST = inttuple_AST; | 
| 1051 |  | } | 
| 1066 |  | } | 
| 1067 |  | case MEMBERS: | 
| 1068 |  | { | 
| 1069 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1070 | < | tmp68_AST = astFactory->create(LT(1)); | 
| 1071 | < | astFactory->makeASTRoot(currentAST, tmp68_AST); | 
| 1069 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp73_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1070 | > | tmp73_AST = astFactory->create(LT(1)); | 
| 1071 | > | astFactory->makeASTRoot(currentAST, tmp73_AST); | 
| 1072 |  | match(MEMBERS); | 
| 1073 |  | match(LPAREN); | 
| 1074 |  | inttuple(); | 
| 1086 |  | } | 
| 1087 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1088 |  | reportError(ex); | 
| 1089 | < | consume(); | 
| 1045 | < | consumeUntil(_tokenSet_12); | 
| 1089 | > | recover(ex,_tokenSet_12); | 
| 1090 |  | } | 
| 1091 |  | returnAST = bendstatement_AST; | 
| 1092 |  | } | 
| 1107 |  | } | 
| 1108 |  | case MEMBERS: | 
| 1109 |  | { | 
| 1110 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1111 | < | tmp72_AST = astFactory->create(LT(1)); | 
| 1112 | < | astFactory->makeASTRoot(currentAST, tmp72_AST); | 
| 1110 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp77_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1111 | > | tmp77_AST = astFactory->create(LT(1)); | 
| 1112 | > | astFactory->makeASTRoot(currentAST, tmp77_AST); | 
| 1113 |  | match(MEMBERS); | 
| 1114 |  | match(LPAREN); | 
| 1115 |  | inttuple(); | 
| 1127 |  | } | 
| 1128 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1129 |  | reportError(ex); | 
| 1130 | < | consume(); | 
| 1087 | < | consumeUntil(_tokenSet_12); | 
| 1130 | > | recover(ex,_tokenSet_12); | 
| 1131 |  | } | 
| 1132 |  | returnAST = torsionstatement_AST; | 
| 1133 |  | } | 
| 1134 |  |  | 
| 1092 | – | void MDParser::inversionblock() { | 
| 1093 | – | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1094 | – | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1095 | – | ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1096 | – |  | 
| 1097 | – | try {      // for error handling | 
| 1098 | – | ANTLR_USE_NAMESPACE(antlr)RefAST tmp76_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1099 | – | tmp76_AST = astFactory->create(LT(1)); | 
| 1100 | – | astFactory->makeASTRoot(currentAST, tmp76_AST); | 
| 1101 | – | match(INVERSION); | 
| 1102 | – | { | 
| 1103 | – | switch ( LA(1)) { | 
| 1104 | – | case LBRACKET: | 
| 1105 | – | { | 
| 1106 | – | match(LBRACKET); | 
| 1107 | – | intConst(); | 
| 1108 | – | match(RBRACKET); | 
| 1109 | – | break; | 
| 1110 | – | } | 
| 1111 | – | case LCURLY: | 
| 1112 | – | { | 
| 1113 | – | break; | 
| 1114 | – | } | 
| 1115 | – | default: | 
| 1116 | – | { | 
| 1117 | – | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1118 | – | } | 
| 1119 | – | } | 
| 1120 | – | } | 
| 1121 | – | match(LCURLY); | 
| 1122 | – | { // ( ... )* | 
| 1123 | – | for (;;) { | 
| 1124 | – | if ((LA(1) == CENTER || LA(1) == ID)) { | 
| 1125 | – | inversionstatement(); | 
| 1126 | – | astFactory->addASTChild( currentAST, returnAST ); | 
| 1127 | – | } | 
| 1128 | – | else { | 
| 1129 | – | goto _loop39; | 
| 1130 | – | } | 
| 1131 | – |  | 
| 1132 | – | } | 
| 1133 | – | _loop39:; | 
| 1134 | – | } // ( ... )* | 
| 1135 | – | ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1136 | – | tmp80_AST = astFactory->create(LT(1)); | 
| 1137 | – | astFactory->addASTChild(currentAST, tmp80_AST); | 
| 1138 | – | match(RCURLY); | 
| 1139 | – | #line 114 "MDParser.g" | 
| 1140 | – | tmp80_AST->setType(ENDBLOCK); | 
| 1141 | – | #line 1142 "MDParser.cpp" | 
| 1142 | – | inversionblock_AST = currentAST.root; | 
| 1143 | – | } | 
| 1144 | – | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1145 | – | reportError(ex); | 
| 1146 | – | consume(); | 
| 1147 | – | consumeUntil(_tokenSet_1); | 
| 1148 | – | } | 
| 1149 | – | returnAST = inversionblock_AST; | 
| 1150 | – | } | 
| 1151 | – |  | 
| 1135 |  | void MDParser::inversionstatement() { | 
| 1136 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1137 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1168 |  | } | 
| 1169 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1170 |  | reportError(ex); | 
| 1171 | < | consume(); | 
| 1189 | < | consumeUntil(_tokenSet_13); | 
| 1171 | > | recover(ex,_tokenSet_13); | 
| 1172 |  | } | 
| 1173 |  | returnAST = inversionstatement_AST; | 
| 1174 |  | } | 
| 1209 |  | } | 
| 1210 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1211 |  | reportError(ex); | 
| 1212 | < | consume(); | 
| 1231 | < | consumeUntil(_tokenSet_12); | 
| 1212 | > | recover(ex,_tokenSet_12); | 
| 1213 |  | } | 
| 1214 |  | returnAST = rigidbodystatement_AST; | 
| 1215 |  | } | 
| 1250 |  | } | 
| 1251 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1252 |  | reportError(ex); | 
| 1253 | < | consume(); | 
| 1273 | < | consumeUntil(_tokenSet_12); | 
| 1253 | > | recover(ex,_tokenSet_12); | 
| 1254 |  | } | 
| 1255 |  | returnAST = cutoffgroupstatement_AST; | 
| 1256 |  | } | 
| 1267 |  | } | 
| 1268 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1269 |  | reportError(ex); | 
| 1270 | < | consume(); | 
| 1291 | < | consumeUntil(_tokenSet_14); | 
| 1270 | > | recover(ex,_tokenSet_14); | 
| 1271 |  | } | 
| 1272 |  | returnAST = fragmentstatement_AST; | 
| 1273 |  | } | 
| 1304 |  | } | 
| 1305 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1306 |  | reportError(ex); | 
| 1307 | < | consume(); | 
| 1329 | < | consumeUntil(_tokenSet_15); | 
| 1307 | > | recover(ex,_tokenSet_15); | 
| 1308 |  | } | 
| 1309 |  | returnAST = doubleNumber_AST; | 
| 1310 |  | } | 
| 1379 |  | const unsigned long MDParser::_tokenSet_2_data_[] = { 1048690UL, 0UL, 0UL, 0UL }; | 
| 1380 |  | // EOF "component" "molecule" "zconstraint" ID | 
| 1381 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4); | 
| 1382 | < | const unsigned long MDParser::_tokenSet_3_data_[] = { 35125234UL, 0UL, 0UL, 0UL }; | 
| 1382 | > | const unsigned long MDParser::_tokenSet_3_data_[] = { 35127282UL, 0UL, 0UL, 0UL }; | 
| 1383 |  | // EOF "component" "molecule" "zconstraint" "atom" "bond" "bend" "torsion" | 
| 1384 | < | // "rigidBody" "cutoffGroup" "fragment" "members" "center" "position" "orientation" | 
| 1385 | < | // ID RCURLY | 
| 1384 | > | // "inversion" "rigidBody" "cutoffGroup" "fragment" "members" "center" | 
| 1385 | > | // "position" "orientation" ID RCURLY | 
| 1386 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4); | 
| 1387 | < | const unsigned long MDParser::_tokenSet_4_data_[] = { 1079168UL, 0UL, 0UL, 0UL }; | 
| 1388 | < | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1389 | < | // ID | 
| 1387 | > | const unsigned long MDParser::_tokenSet_4_data_[] = { 1081216UL, 0UL, 0UL, 0UL }; | 
| 1388 | > | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1389 | > | // "fragment" ID | 
| 1390 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4); | 
| 1391 |  | const unsigned long MDParser::_tokenSet_5_data_[] = { 4194304UL, 0UL, 0UL, 0UL }; | 
| 1392 |  | // SEMICOLON | 
| 1397 |  | const unsigned long MDParser::_tokenSet_7_data_[] = { 1614807040UL, 0UL, 0UL, 0UL }; | 
| 1398 |  | // SEMICOLON RPAREN COMMA | 
| 1399 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4); | 
| 1400 | < | const unsigned long MDParser::_tokenSet_8_data_[] = { 34633600UL, 0UL, 0UL, 0UL }; | 
| 1401 | < | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1402 | < | // ID RCURLY | 
| 1400 | > | const unsigned long MDParser::_tokenSet_8_data_[] = { 34635648UL, 0UL, 0UL, 0UL }; | 
| 1401 | > | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1402 | > | // "fragment" ID RCURLY | 
| 1403 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4); | 
| 1404 |  | const unsigned long MDParser::_tokenSet_9_data_[] = { 1441792UL, 0UL, 0UL, 0UL }; | 
| 1405 |  | // "position" "orientation" ID |