| 1 | < | /* $ANTLR 2.7.5 (20050406): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 1 | > | /* $ANTLR 2.7.7 (20080702): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 2 |  | #include "MDParser.hpp" | 
| 3 |  | #include <antlr/NoViableAltException.hpp> | 
| 4 |  | #include <antlr/SemanticException.hpp> | 
| 160 |  | tmp6_AST = astFactory->create(LT(1)); | 
| 161 |  | astFactory->addASTChild(currentAST, tmp6_AST); | 
| 162 |  | match(RCURLY); | 
| 163 | < | #line 63 "MDParser.g" | 
| 163 | > | #line 65 "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 69 "MDParser.g" | 
| 203 | > | #line 71 "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 66 "MDParser.g" | 
| 243 | > | #line 68 "MDParser.g" | 
| 244 |  | tmp12_AST->setType(ENDBLOCK); | 
| 245 |  | #line 246 "MDParser.cpp" | 
| 246 |  | zconstraintblock_AST = currentAST.root; | 
| 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(); | 
| 497 |  | tmp23_AST = astFactory->create(LT(1)); | 
| 498 |  | astFactory->addASTChild(currentAST, tmp23_AST); | 
| 499 |  | match(RCURLY); | 
| 500 | < | #line 82 "MDParser.g" | 
| 500 | > | #line 85 "MDParser.g" | 
| 501 |  | tmp23_AST->setType(ENDBLOCK); | 
| 502 | < | #line 496 "MDParser.cpp" | 
| 502 | > | #line 503 "MDParser.cpp" | 
| 503 |  | atomblock_AST = currentAST.root; | 
| 504 |  | } | 
| 505 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 556 |  | tmp28_AST = astFactory->create(LT(1)); | 
| 557 |  | astFactory->addASTChild(currentAST, tmp28_AST); | 
| 558 |  | match(RCURLY); | 
| 559 | < | #line 91 "MDParser.g" | 
| 559 | > | #line 94 "MDParser.g" | 
| 560 |  | tmp28_AST->setType(ENDBLOCK); | 
| 561 | < | #line 555 "MDParser.cpp" | 
| 561 | > | #line 562 "MDParser.cpp" | 
| 562 |  | bondblock_AST = currentAST.root; | 
| 563 |  | } | 
| 564 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 615 |  | tmp33_AST = astFactory->create(LT(1)); | 
| 616 |  | astFactory->addASTChild(currentAST, tmp33_AST); | 
| 617 |  | match(RCURLY); | 
| 618 | < | #line 98 "MDParser.g" | 
| 618 | > | #line 101 "MDParser.g" | 
| 619 |  | tmp33_AST->setType(ENDBLOCK); | 
| 620 | < | #line 614 "MDParser.cpp" | 
| 620 | > | #line 621 "MDParser.cpp" | 
| 621 |  | bendblock_AST = currentAST.root; | 
| 622 |  | } | 
| 623 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 674 |  | tmp38_AST = astFactory->create(LT(1)); | 
| 675 |  | astFactory->addASTChild(currentAST, tmp38_AST); | 
| 676 |  | match(RCURLY); | 
| 677 | < | #line 105 "MDParser.g" | 
| 677 | > | #line 108 "MDParser.g" | 
| 678 |  | tmp38_AST->setType(ENDBLOCK); | 
| 679 | < | #line 673 "MDParser.cpp" | 
| 679 | > | #line 680 "MDParser.cpp" | 
| 680 |  | torsionblock_AST = currentAST.root; | 
| 681 |  | } | 
| 682 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 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(); | 
| 767 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 768 |  | } | 
| 769 |  | else { | 
| 770 | < | goto _loop38; | 
| 770 | > | goto _loop43; | 
| 771 |  | } | 
| 772 |  |  | 
| 773 |  | } | 
| 774 | < | _loop38:; | 
| 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 112 "MDParser.g" | 
| 781 | < | tmp43_AST->setType(ENDBLOCK); | 
| 782 | < | #line 717 "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) { | 
| 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)) { | 
| 826 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 827 |  | } | 
| 828 |  | else { | 
| 829 | < | goto _loop43; | 
| 829 | > | goto _loop48; | 
| 830 |  | } | 
| 831 |  |  | 
| 832 |  | } | 
| 833 | < | _loop43:; | 
| 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 119 "MDParser.g" | 
| 840 | < | tmp48_AST->setType(ENDBLOCK); | 
| 841 | < | #line 776 "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) { | 
| 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(); | 
| 870 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 871 |  | } | 
| 872 |  | else { | 
| 873 | < | goto _loop47; | 
| 873 | > | goto _loop52; | 
| 874 |  | } | 
| 875 |  |  | 
| 876 |  | } | 
| 877 | < | _loop47:; | 
| 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 126 "MDParser.g" | 
| 884 | < | tmp53_AST->setType(ENDBLOCK); | 
| 885 | < | #line 820 "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) { | 
| 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(); | 
| 963 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 964 |  | } | 
| 965 |  | else { | 
| 966 | < | goto _loop51; | 
| 966 | > | goto _loop56; | 
| 967 |  | } | 
| 968 |  |  | 
| 969 |  | } | 
| 970 | < | _loop51:; | 
| 970 | > | _loop56:; | 
| 971 |  | } // ( ... )* | 
| 972 |  | doubleNumberTuple_AST = currentAST.root; | 
| 973 |  | } | 
| 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(); | 
| 1035 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1036 |  | } | 
| 1037 |  | else { | 
| 1038 | < | goto _loop54; | 
| 1038 | > | goto _loop59; | 
| 1039 |  | } | 
| 1040 |  |  | 
| 1041 |  | } | 
| 1042 | < | _loop54:; | 
| 1042 | > | _loop59:; | 
| 1043 |  | } // ( ... )* | 
| 1044 |  | inttuple_AST = currentAST.root; | 
| 1045 |  | } | 
| 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(); | 
| 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(); | 
| 1132 |  | returnAST = torsionstatement_AST; | 
| 1133 |  | } | 
| 1134 |  |  | 
| 1135 | + | void MDParser::inversionstatement() { | 
| 1136 | + | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1137 | + | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1138 | + | ANTLR_USE_NAMESPACE(antlr)RefAST inversionstatement_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1139 | + |  | 
| 1140 | + | try {      // for error handling | 
| 1141 | + | switch ( LA(1)) { | 
| 1142 | + | case ID: | 
| 1143 | + | { | 
| 1144 | + | assignment(); | 
| 1145 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1146 | + | inversionstatement_AST = currentAST.root; | 
| 1147 | + | break; | 
| 1148 | + | } | 
| 1149 | + | case CENTER: | 
| 1150 | + | { | 
| 1151 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp81_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1152 | + | tmp81_AST = astFactory->create(LT(1)); | 
| 1153 | + | astFactory->makeASTRoot(currentAST, tmp81_AST); | 
| 1154 | + | match(CENTER); | 
| 1155 | + | match(LPAREN); | 
| 1156 | + | intConst(); | 
| 1157 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1158 | + | match(RPAREN); | 
| 1159 | + | match(SEMICOLON); | 
| 1160 | + | inversionstatement_AST = currentAST.root; | 
| 1161 | + | break; | 
| 1162 | + | } | 
| 1163 | + | default: | 
| 1164 | + | { | 
| 1165 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1166 | + | } | 
| 1167 | + | } | 
| 1168 | + | } | 
| 1169 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1170 | + | reportError(ex); | 
| 1171 | + | recover(ex,_tokenSet_13); | 
| 1172 | + | } | 
| 1173 | + | returnAST = inversionstatement_AST; | 
| 1174 | + | } | 
| 1175 | + |  | 
| 1176 |  | void MDParser::rigidbodystatement() { | 
| 1177 |  | returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1178 |  | ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; | 
| 1189 |  | } | 
| 1190 |  | case MEMBERS: | 
| 1191 |  | { | 
| 1192 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp76_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1193 | < | tmp76_AST = astFactory->create(LT(1)); | 
| 1194 | < | astFactory->makeASTRoot(currentAST, tmp76_AST); | 
| 1192 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp85_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1193 | > | tmp85_AST = astFactory->create(LT(1)); | 
| 1194 | > | astFactory->makeASTRoot(currentAST, tmp85_AST); | 
| 1195 |  | match(MEMBERS); | 
| 1196 |  | match(LPAREN); | 
| 1197 |  | inttuple(); | 
| 1230 |  | } | 
| 1231 |  | case MEMBERS: | 
| 1232 |  | { | 
| 1233 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1234 | < | tmp80_AST = astFactory->create(LT(1)); | 
| 1235 | < | astFactory->makeASTRoot(currentAST, tmp80_AST); | 
| 1233 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp89_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1234 | > | tmp89_AST = astFactory->create(LT(1)); | 
| 1235 | > | astFactory->makeASTRoot(currentAST, tmp89_AST); | 
| 1236 |  | match(MEMBERS); | 
| 1237 |  | match(LPAREN); | 
| 1238 |  | inttuple(); | 
| 1267 |  | } | 
| 1268 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1269 |  | reportError(ex); | 
| 1270 | < | recover(ex,_tokenSet_13); | 
| 1270 | > | recover(ex,_tokenSet_14); | 
| 1271 |  | } | 
| 1272 |  | returnAST = fragmentstatement_AST; | 
| 1273 |  | } | 
| 1304 |  | } | 
| 1305 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1306 |  | reportError(ex); | 
| 1307 | < | recover(ex,_tokenSet_14); | 
| 1307 | > | recover(ex,_tokenSet_15); | 
| 1308 |  | } | 
| 1309 |  | returnAST = doubleNumber_AST; | 
| 1310 |  | } | 
| 1311 |  |  | 
| 1312 |  | void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) | 
| 1313 |  | { | 
| 1314 | < | factory.setMaxNodeType(50); | 
| 1314 | > | factory.setMaxNodeType(52); | 
| 1315 |  | } | 
| 1316 |  | const char* MDParser::tokenNames[] = { | 
| 1317 |  | "<0>", | 
| 1325 |  | "\"bond\"", | 
| 1326 |  | "\"bend\"", | 
| 1327 |  | "\"torsion\"", | 
| 1328 | + | "\"inversion\"", | 
| 1329 |  | "\"rigidBody\"", | 
| 1330 |  | "\"cutoffGroup\"", | 
| 1331 |  | "\"fragment\"", | 
| 1332 |  | "\"members\"", | 
| 1333 | + | "\"center\"", | 
| 1334 |  | "\"position\"", | 
| 1335 |  | "\"orientation\"", | 
| 1336 |  | "ENDBLOCK", | 
| 1370 |  | 0 | 
| 1371 |  | }; | 
| 1372 |  |  | 
| 1373 | < | const unsigned long MDParser::_tokenSet_0_data_[] = { 262256UL, 0UL, 0UL, 0UL }; | 
| 1373 | > | const unsigned long MDParser::_tokenSet_0_data_[] = { 1048688UL, 0UL, 0UL, 0UL }; | 
| 1374 |  | // "component" "molecule" "zconstraint" ID | 
| 1375 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 1376 |  | const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL }; | 
| 1377 |  | // EOF | 
| 1378 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 1379 | < | const unsigned long MDParser::_tokenSet_2_data_[] = { 262258UL, 0UL, 0UL, 0UL }; | 
| 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_[] = { 8781810UL, 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" "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_[] = { 278400UL, 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_[] = { 1048576UL, 0UL, 0UL, 0UL }; | 
| 1391 | > | const unsigned long MDParser::_tokenSet_5_data_[] = { 4194304UL, 0UL, 0UL, 0UL }; | 
| 1392 |  | // SEMICOLON | 
| 1393 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4); | 
| 1394 | < | const unsigned long MDParser::_tokenSet_6_data_[] = { 437256192UL, 0UL, 0UL, 0UL }; | 
| 1394 | > | const unsigned long MDParser::_tokenSet_6_data_[] = { 1749024768UL, 0UL, 0UL, 0UL }; | 
| 1395 |  | // SEMICOLON RBRACKET RPAREN COMMA | 
| 1396 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4); | 
| 1397 | < | const unsigned long MDParser::_tokenSet_7_data_[] = { 403701760UL, 0UL, 0UL, 0UL }; | 
| 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_[] = { 8667008UL, 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_[] = { 360448UL, 0UL, 0UL, 0UL }; | 
| 1404 | > | const unsigned long MDParser::_tokenSet_9_data_[] = { 1441792UL, 0UL, 0UL, 0UL }; | 
| 1405 |  | // "position" "orientation" ID | 
| 1406 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4); | 
| 1407 | < | const unsigned long MDParser::_tokenSet_10_data_[] = { 8749056UL, 0UL, 0UL, 0UL }; | 
| 1407 | > | const unsigned long MDParser::_tokenSet_10_data_[] = { 34996224UL, 0UL, 0UL, 0UL }; | 
| 1408 |  | // "position" "orientation" ID RCURLY | 
| 1409 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4); | 
| 1410 | < | const unsigned long MDParser::_tokenSet_11_data_[] = { 134217728UL, 0UL, 0UL, 0UL }; | 
| 1410 | > | const unsigned long MDParser::_tokenSet_11_data_[] = { 536870912UL, 0UL, 0UL, 0UL }; | 
| 1411 |  | // RPAREN | 
| 1412 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4); | 
| 1413 | < | const unsigned long MDParser::_tokenSet_12_data_[] = { 8667136UL, 0UL, 0UL, 0UL }; | 
| 1413 | > | const unsigned long MDParser::_tokenSet_12_data_[] = { 34635776UL, 0UL, 0UL, 0UL }; | 
| 1414 |  | // "members" ID RCURLY | 
| 1415 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4); | 
| 1416 | < | const unsigned long MDParser::_tokenSet_13_data_[] = { 8650752UL, 0UL, 0UL, 0UL }; | 
| 1417 | < | // ID RCURLY | 
| 1416 | > | const unsigned long MDParser::_tokenSet_13_data_[] = { 34668544UL, 0UL, 0UL, 0UL }; | 
| 1417 | > | // "center" ID RCURLY | 
| 1418 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4); | 
| 1419 | < | const unsigned long MDParser::_tokenSet_14_data_[] = { 402653184UL, 0UL, 0UL, 0UL }; | 
| 1420 | < | // RPAREN COMMA | 
| 1419 | > | const unsigned long MDParser::_tokenSet_14_data_[] = { 34603008UL, 0UL, 0UL, 0UL }; | 
| 1420 | > | // ID RCURLY | 
| 1421 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4); | 
| 1422 | + | const unsigned long MDParser::_tokenSet_15_data_[] = { 1610612736UL, 0UL, 0UL, 0UL }; | 
| 1423 | + | // RPAREN COMMA | 
| 1424 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4); | 
| 1425 |  |  | 
| 1426 |  |  |