| 1 | 
< | 
/* $ANTLR 2.7.7 (20121118): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 1 | 
> | 
/* $ANTLR 2.7.7 (20140107): "MDParser.g" -> "MDParser.cpp"$ */ | 
| 2 | 
  | 
#include "MDParser.hpp" | 
| 3 | 
  | 
#include <antlr/NoViableAltException.hpp> | 
| 4 | 
  | 
#include <antlr/SemanticException.hpp> | 
| 188 | 
  | 
                tmp6_AST = astFactory->create(LT(1)); | 
| 189 | 
  | 
                astFactory->addASTChild(currentAST, tmp6_AST); | 
| 190 | 
  | 
                match(RCURLY); | 
| 191 | 
< | 
#line 75 "MDParser.g" | 
| 191 | 
> | 
#line 77 "MDParser.g" | 
| 192 | 
  | 
                tmp6_AST->setType(ENDBLOCK); | 
| 193 | 
  | 
#line 194 "MDParser.cpp" | 
| 194 | 
  | 
                componentblock_AST = currentAST.root; | 
| 228 | 
  | 
                tmp9_AST = astFactory->create(LT(1)); | 
| 229 | 
  | 
                astFactory->addASTChild(currentAST, tmp9_AST); | 
| 230 | 
  | 
                match(RCURLY); | 
| 231 | 
< | 
#line 93 "MDParser.g" | 
| 231 | 
> | 
#line 95 "MDParser.g" | 
| 232 | 
  | 
                tmp9_AST->setType(ENDBLOCK); | 
| 233 | 
  | 
#line 234 "MDParser.cpp" | 
| 234 | 
  | 
                moleculeblock_AST = currentAST.root; | 
| 268 | 
  | 
                tmp12_AST = astFactory->create(LT(1)); | 
| 269 | 
  | 
                astFactory->addASTChild(currentAST, tmp12_AST); | 
| 270 | 
  | 
                match(RCURLY); | 
| 271 | 
< | 
#line 78 "MDParser.g" | 
| 271 | 
> | 
#line 80 "MDParser.g" | 
| 272 | 
  | 
                tmp12_AST->setType(ENDBLOCK); | 
| 273 | 
  | 
#line 274 "MDParser.cpp" | 
| 274 | 
  | 
                zconstraintblock_AST = currentAST.root; | 
| 308 | 
  | 
                tmp15_AST = astFactory->create(LT(1)); | 
| 309 | 
  | 
                astFactory->addASTChild(currentAST, tmp15_AST); | 
| 310 | 
  | 
                match(RCURLY); | 
| 311 | 
< | 
#line 81 "MDParser.g" | 
| 311 | 
> | 
#line 83 "MDParser.g" | 
| 312 | 
  | 
                tmp15_AST->setType(ENDBLOCK); | 
| 313 | 
  | 
#line 314 "MDParser.cpp" | 
| 314 | 
  | 
                restraintblock_AST = currentAST.root; | 
| 348 | 
  | 
                tmp18_AST = astFactory->create(LT(1)); | 
| 349 | 
  | 
                astFactory->addASTChild(currentAST, tmp18_AST); | 
| 350 | 
  | 
                match(RCURLY); | 
| 351 | 
< | 
#line 84 "MDParser.g" | 
| 351 | 
> | 
#line 86 "MDParser.g" | 
| 352 | 
  | 
                tmp18_AST->setType(ENDBLOCK); | 
| 353 | 
  | 
#line 354 "MDParser.cpp" | 
| 354 | 
  | 
                flucqblock_AST = currentAST.root; | 
| 388 | 
  | 
                tmp21_AST = astFactory->create(LT(1)); | 
| 389 | 
  | 
                astFactory->addASTChild(currentAST, tmp21_AST); | 
| 390 | 
  | 
                match(RCURLY); | 
| 391 | 
< | 
#line 87 "MDParser.g" | 
| 391 | 
> | 
#line 89 "MDParser.g" | 
| 392 | 
  | 
                tmp21_AST->setType(ENDBLOCK); | 
| 393 | 
  | 
#line 394 "MDParser.cpp" | 
| 394 | 
  | 
                rnemdblock_AST = currentAST.root; | 
| 428 | 
  | 
                tmp24_AST = astFactory->create(LT(1)); | 
| 429 | 
  | 
                astFactory->addASTChild(currentAST, tmp24_AST); | 
| 430 | 
  | 
                match(RCURLY); | 
| 431 | 
< | 
#line 90 "MDParser.g" | 
| 431 | 
> | 
#line 92 "MDParser.g" | 
| 432 | 
  | 
                tmp24_AST->setType(ENDBLOCK); | 
| 433 | 
  | 
#line 434 "MDParser.cpp" | 
| 434 | 
  | 
                minimizerblock_AST = currentAST.root; | 
| 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()); | 
| 736 | 
  | 
                tmp39_AST = astFactory->create(LT(1)); | 
| 737 | 
  | 
                astFactory->addASTChild(currentAST, tmp39_AST); | 
| 738 | 
  | 
                match(RCURLY); | 
| 739 | 
< | 
#line 107 "MDParser.g" | 
| 739 | 
> | 
#line 110 "MDParser.g" | 
| 740 | 
  | 
                tmp39_AST->setType(ENDBLOCK); | 
| 741 | 
< | 
#line 735 "MDParser.cpp" | 
| 741 | 
> | 
#line 742 "MDParser.cpp" | 
| 742 | 
  | 
                atomblock_AST = currentAST.root; | 
| 743 | 
  | 
        } | 
| 744 | 
  | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 795 | 
  | 
                tmp44_AST = astFactory->create(LT(1)); | 
| 796 | 
  | 
                astFactory->addASTChild(currentAST, tmp44_AST); | 
| 797 | 
  | 
                match(RCURLY); | 
| 798 | 
< | 
#line 116 "MDParser.g" | 
| 798 | 
> | 
#line 119 "MDParser.g" | 
| 799 | 
  | 
                tmp44_AST->setType(ENDBLOCK); | 
| 800 | 
< | 
#line 794 "MDParser.cpp" | 
| 800 | 
> | 
#line 801 "MDParser.cpp" | 
| 801 | 
  | 
                bondblock_AST = currentAST.root; | 
| 802 | 
  | 
        } | 
| 803 | 
  | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 854 | 
  | 
                tmp49_AST = astFactory->create(LT(1)); | 
| 855 | 
  | 
                astFactory->addASTChild(currentAST, tmp49_AST); | 
| 856 | 
  | 
                match(RCURLY); | 
| 857 | 
< | 
#line 123 "MDParser.g" | 
| 857 | 
> | 
#line 126 "MDParser.g" | 
| 858 | 
  | 
                tmp49_AST->setType(ENDBLOCK); | 
| 859 | 
< | 
#line 853 "MDParser.cpp" | 
| 859 | 
> | 
#line 860 "MDParser.cpp" | 
| 860 | 
  | 
                bendblock_AST = currentAST.root; | 
| 861 | 
  | 
        } | 
| 862 | 
  | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 913 | 
  | 
                tmp54_AST = astFactory->create(LT(1)); | 
| 914 | 
  | 
                astFactory->addASTChild(currentAST, tmp54_AST); | 
| 915 | 
  | 
                match(RCURLY); | 
| 916 | 
< | 
#line 130 "MDParser.g" | 
| 916 | 
> | 
#line 133 "MDParser.g" | 
| 917 | 
  | 
                tmp54_AST->setType(ENDBLOCK); | 
| 918 | 
< | 
#line 912 "MDParser.cpp" | 
| 918 | 
> | 
#line 919 "MDParser.cpp" | 
| 919 | 
  | 
                torsionblock_AST = currentAST.root; | 
| 920 | 
  | 
        } | 
| 921 | 
  | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 972 | 
  | 
                tmp59_AST = astFactory->create(LT(1)); | 
| 973 | 
  | 
                astFactory->addASTChild(currentAST, tmp59_AST); | 
| 974 | 
  | 
                match(RCURLY); | 
| 975 | 
< | 
#line 137 "MDParser.g" | 
| 975 | 
> | 
#line 140 "MDParser.g" | 
| 976 | 
  | 
                tmp59_AST->setType(ENDBLOCK); | 
| 977 | 
< | 
#line 971 "MDParser.cpp" | 
| 977 | 
> | 
#line 978 "MDParser.cpp" | 
| 978 | 
  | 
                inversionblock_AST = currentAST.root; | 
| 979 | 
  | 
        } | 
| 980 | 
  | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1016 | 
  | 
                tmp64_AST = astFactory->create(LT(1)); | 
| 1017 | 
  | 
                astFactory->addASTChild(currentAST, tmp64_AST); | 
| 1018 | 
  | 
                match(RCURLY); | 
| 1019 | 
< | 
#line 145 "MDParser.g" | 
| 1019 | 
> | 
#line 148 "MDParser.g" | 
| 1020 | 
  | 
                tmp64_AST->setType(ENDBLOCK); | 
| 1021 | 
< | 
#line 1015 "MDParser.cpp" | 
| 1021 | 
> | 
#line 1022 "MDParser.cpp" | 
| 1022 | 
  | 
                rigidbodyblock_AST = currentAST.root; | 
| 1023 | 
  | 
        } | 
| 1024 | 
  | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1075 | 
  | 
                tmp69_AST = astFactory->create(LT(1)); | 
| 1076 | 
  | 
                astFactory->addASTChild(currentAST, tmp69_AST); | 
| 1077 | 
  | 
                match(RCURLY); | 
| 1078 | 
< | 
#line 152 "MDParser.g" | 
| 1078 | 
> | 
#line 155 "MDParser.g" | 
| 1079 | 
  | 
                tmp69_AST->setType(ENDBLOCK); | 
| 1080 | 
< | 
#line 1074 "MDParser.cpp" | 
| 1080 | 
> | 
#line 1081 "MDParser.cpp" | 
| 1081 | 
  | 
                cutoffgroupblock_AST = currentAST.root; | 
| 1082 | 
  | 
        } | 
| 1083 | 
  | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1119 | 
  | 
                tmp74_AST = astFactory->create(LT(1)); | 
| 1120 | 
  | 
                astFactory->addASTChild(currentAST, tmp74_AST); | 
| 1121 | 
  | 
                match(RCURLY); | 
| 1122 | 
< | 
#line 159 "MDParser.g" | 
| 1122 | 
> | 
#line 162 "MDParser.g" | 
| 1123 | 
  | 
                tmp74_AST->setType(ENDBLOCK); | 
| 1124 | 
< | 
#line 1118 "MDParser.cpp" | 
| 1124 | 
> | 
#line 1125 "MDParser.cpp" | 
| 1125 | 
  | 
                fragmentblock_AST = currentAST.root; | 
| 1126 | 
  | 
        } | 
| 1127 | 
  | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1129 | 
  | 
                recover(ex,_tokenSet_8); | 
| 1130 | 
  | 
        } | 
| 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() { | 
| 1206 | 
  | 
                } | 
| 1207 | 
  | 
                case POSITION: | 
| 1208 | 
  | 
                { | 
| 1209 | 
< | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp75_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1210 | 
< | 
                        tmp75_AST = astFactory->create(LT(1)); | 
| 1211 | 
< | 
                        astFactory->makeASTRoot(currentAST, tmp75_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 tmp79_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1224 | 
< | 
                        tmp79_AST = astFactory->create(LT(1)); | 
| 1225 | 
< | 
                        astFactory->makeASTRoot(currentAST, tmp79_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(); | 
| 1261 | 
  | 
                                astFactory->addASTChild( currentAST, returnAST ); | 
| 1262 | 
  | 
                        } | 
| 1263 | 
  | 
                        else { | 
| 1264 | 
< | 
                                goto _loop68; | 
| 1264 | 
> | 
                                goto _loop73; | 
| 1265 | 
  | 
                        } | 
| 1266 | 
  | 
                         | 
| 1267 | 
  | 
                } | 
| 1268 | 
< | 
                _loop68:; | 
| 1268 | 
> | 
                _loop73:; | 
| 1269 | 
  | 
                } // ( ... )* | 
| 1270 | 
  | 
                doubleNumberTuple_AST = currentAST.root; | 
| 1271 | 
  | 
        } | 
| 1292 | 
  | 
                } | 
| 1293 | 
  | 
                case MEMBERS: | 
| 1294 | 
  | 
                { | 
| 1295 | 
< | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp84_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1296 | 
< | 
                        tmp84_AST = astFactory->create(LT(1)); | 
| 1297 | 
< | 
                        astFactory->makeASTRoot(currentAST, tmp84_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(); | 
| 1333 | 
  | 
                                astFactory->addASTChild( currentAST, returnAST ); | 
| 1334 | 
  | 
                        } | 
| 1335 | 
  | 
                        else { | 
| 1336 | 
< | 
                                goto _loop71; | 
| 1336 | 
> | 
                                goto _loop76; | 
| 1337 | 
  | 
                        } | 
| 1338 | 
  | 
                         | 
| 1339 | 
  | 
                } | 
| 1340 | 
< | 
                _loop71:; | 
| 1340 | 
> | 
                _loop76:; | 
| 1341 | 
  | 
                } // ( ... )* | 
| 1342 | 
  | 
                inttuple_AST = currentAST.root; | 
| 1343 | 
  | 
        } | 
| 1364 | 
  | 
                } | 
| 1365 | 
  | 
                case MEMBERS: | 
| 1366 | 
  | 
                { | 
| 1367 | 
< | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp89_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1368 | 
< | 
                        tmp89_AST = astFactory->create(LT(1)); | 
| 1369 | 
< | 
                        astFactory->makeASTRoot(currentAST, tmp89_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(); | 
| 1405 | 
  | 
                } | 
| 1406 | 
  | 
                case MEMBERS: | 
| 1407 | 
  | 
                { | 
| 1408 | 
< | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp93_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1409 | 
< | 
                        tmp93_AST = astFactory->create(LT(1)); | 
| 1410 | 
< | 
                        astFactory->makeASTRoot(currentAST, tmp93_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(); | 
| 1446 | 
  | 
                } | 
| 1447 | 
  | 
                case CENTER: | 
| 1448 | 
  | 
                { | 
| 1449 | 
< | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp97_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1450 | 
< | 
                        tmp97_AST = astFactory->create(LT(1)); | 
| 1451 | 
< | 
                        astFactory->makeASTRoot(currentAST, tmp97_AST); | 
| 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(); | 
| 1460 | 
  | 
                } | 
| 1461 | 
  | 
                case SATELLITES: | 
| 1462 | 
  | 
                { | 
| 1463 | 
< | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp101_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1464 | 
< | 
                        tmp101_AST = astFactory->create(LT(1)); | 
| 1465 | 
< | 
                        astFactory->makeASTRoot(currentAST, tmp101_AST); | 
| 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(); | 
| 1501 | 
  | 
                } | 
| 1502 | 
  | 
                case MEMBERS: | 
| 1503 | 
  | 
                { | 
| 1504 | 
< | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp105_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1505 | 
< | 
                        tmp105_AST = astFactory->create(LT(1)); | 
| 1506 | 
< | 
                        astFactory->makeASTRoot(currentAST, tmp105_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(); | 
| 1542 | 
  | 
                } | 
| 1543 | 
  | 
                case MEMBERS: | 
| 1544 | 
  | 
                { | 
| 1545 | 
< | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp109_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1546 | 
< | 
                        tmp109_AST = astFactory->create(LT(1)); | 
| 1547 | 
< | 
                        astFactory->makeASTRoot(currentAST, tmp109_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(); | 
| 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; | 
| 1664 | 
  | 
 | 
| 1665 | 
  | 
void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) | 
| 1666 | 
  | 
{ | 
| 1667 | 
< | 
        factory.setMaxNodeType(57); | 
| 1667 | 
> | 
        factory.setMaxNodeType(59); | 
| 1668 | 
  | 
} | 
| 1669 | 
  | 
const char* MDParser::tokenNames[] = { | 
| 1670 | 
  | 
        "<0>", | 
| 1682 | 
  | 
        "\"inversion\"", | 
| 1683 | 
  | 
        "\"rigidBody\"", | 
| 1684 | 
  | 
        "\"cutoffGroup\"", | 
| 1685 | 
+ | 
        "\"constraint\"", | 
| 1686 | 
+ | 
        "\"distance\"", | 
| 1687 | 
  | 
        "\"fragment\"", | 
| 1688 | 
  | 
        "\"members\"", | 
| 1689 | 
  | 
        "\"center\"", | 
| 1730 | 
  | 
        0 | 
| 1731 | 
  | 
}; | 
| 1732 | 
  | 
 | 
| 1733 | 
< | 
const unsigned long MDParser::_tokenSet_0_data_[] = { 48234736UL, 0UL, 0UL, 0UL }; | 
| 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_[] = { 48234738UL, 0UL, 0UL, 0UL }; | 
| 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_[] = { 1124073458UL, 0UL, 0UL, 0UL }; | 
| 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" "fragment" "members"  | 
| 1747 | 
< | 
// "center" "satellites" "position" "orientation" "flucQ" "RNEMD" "minimizer"  | 
| 1748 | 
< | 
// ID RCURLY  | 
| 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_[] = { 33619712UL, 0UL, 0UL, 0UL }; | 
| 1750 | 
> | 
const unsigned long MDParser::_tokenSet_4_data_[] = { 134414080UL, 0UL, 0UL, 0UL }; | 
| 1751 | 
  | 
// "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup"  | 
| 1752 | 
< | 
// "fragment" ID  | 
| 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_[] = { 134217728UL, 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_[] = { 134217728UL, 13UL, 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_[] = { 134217728UL, 12UL, 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_[] = { 1107361536UL, 0UL, 0UL, 0UL }; | 
| 1763 | 
> | 
const unsigned long MDParser::_tokenSet_8_data_[] = { 134414080UL, 1UL, 0UL, 0UL }; | 
| 1764 | 
  | 
// "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup"  | 
| 1765 | 
< | 
// "fragment" ID RCURLY  | 
| 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_[] = { 35127296UL, 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_[] = { 33947648UL, 0UL, 0UL, 0UL }; | 
| 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_[] = { 1108869120UL, 0UL, 0UL, 0UL }; | 
| 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_[] = { 0UL, 4UL, 0UL, 0UL }; | 
| 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_[] = { 1107361792UL, 0UL, 0UL, 0UL }; | 
| 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_[] = { 1107689472UL, 0UL, 0UL, 0UL }; | 
| 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_[] = { 1107296256UL, 0UL, 0UL, 0UL }; | 
| 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, 12UL, 0UL, 0UL }; | 
| 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 | 
  | 
 |