| 188 |  | tmp6_AST = astFactory->create(LT(1)); | 
| 189 |  | astFactory->addASTChild(currentAST, tmp6_AST); | 
| 190 |  | match(RCURLY); | 
| 191 | < | #line 77 "MDParser.g" | 
| 191 | > | #line 95 "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 95 "MDParser.g" | 
| 231 | > | #line 113 "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 80 "MDParser.g" | 
| 271 | > | #line 98 "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 83 "MDParser.g" | 
| 311 | > | #line 101 "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 86 "MDParser.g" | 
| 351 | > | #line 104 "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 89 "MDParser.g" | 
| 391 | > | #line 107 "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 92 "MDParser.g" | 
| 431 | > | #line 110 "MDParser.g" | 
| 432 |  | tmp24_AST->setType(ENDBLOCK); | 
| 433 |  | #line 434 "MDParser.cpp" | 
| 434 |  | minimizerblock_AST = currentAST.root; | 
| 724 |  | tmp37_AST = astFactory->create(LT(1)); | 
| 725 |  | astFactory->addASTChild(currentAST, tmp37_AST); | 
| 726 |  | match(RCURLY); | 
| 727 | < | #line 110 "MDParser.g" | 
| 727 | > | #line 128 "MDParser.g" | 
| 728 |  | tmp37_AST->setType(ENDBLOCK); | 
| 729 |  | #line 730 "MDParser.cpp" | 
| 730 |  | atomblock_AST = currentAST.root; | 
| 768 |  | match(LCURLY); | 
| 769 |  | { // ( ... )* | 
| 770 |  | for (;;) { | 
| 771 | < | if ((LA(1) == MEMBERS || LA(1) == ID)) { | 
| 771 | > | if ((_tokenSet_10.member(LA(1)))) { | 
| 772 |  | bondstatement(); | 
| 773 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 774 |  | } | 
| 783 |  | tmp42_AST = astFactory->create(LT(1)); | 
| 784 |  | astFactory->addASTChild(currentAST, tmp42_AST); | 
| 785 |  | match(RCURLY); | 
| 786 | < | #line 119 "MDParser.g" | 
| 786 | > | #line 138 "MDParser.g" | 
| 787 |  | tmp42_AST->setType(ENDBLOCK); | 
| 788 |  | #line 789 "MDParser.cpp" | 
| 789 |  | bondblock_AST = currentAST.root; | 
| 827 |  | match(LCURLY); | 
| 828 |  | { // ( ... )* | 
| 829 |  | for (;;) { | 
| 830 | < | if ((LA(1) == MEMBERS || LA(1) == ID)) { | 
| 830 | > | if ((_tokenSet_11.member(LA(1)))) { | 
| 831 |  | bendstatement(); | 
| 832 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 833 |  | } | 
| 842 |  | tmp47_AST = astFactory->create(LT(1)); | 
| 843 |  | astFactory->addASTChild(currentAST, tmp47_AST); | 
| 844 |  | match(RCURLY); | 
| 845 | < | #line 126 "MDParser.g" | 
| 845 | > | #line 151 "MDParser.g" | 
| 846 |  | tmp47_AST->setType(ENDBLOCK); | 
| 847 |  | #line 848 "MDParser.cpp" | 
| 848 |  | bendblock_AST = currentAST.root; | 
| 886 |  | match(LCURLY); | 
| 887 |  | { // ( ... )* | 
| 888 |  | for (;;) { | 
| 889 | < | if ((LA(1) == MEMBERS || LA(1) == ID)) { | 
| 889 | > | if ((_tokenSet_12.member(LA(1)))) { | 
| 890 |  | torsionstatement(); | 
| 891 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 892 |  | } | 
| 901 |  | tmp52_AST = astFactory->create(LT(1)); | 
| 902 |  | astFactory->addASTChild(currentAST, tmp52_AST); | 
| 903 |  | match(RCURLY); | 
| 904 | < | #line 133 "MDParser.g" | 
| 904 | > | #line 165 "MDParser.g" | 
| 905 |  | tmp52_AST->setType(ENDBLOCK); | 
| 906 |  | #line 907 "MDParser.cpp" | 
| 907 |  | torsionblock_AST = currentAST.root; | 
| 945 |  | match(LCURLY); | 
| 946 |  | { // ( ... )* | 
| 947 |  | for (;;) { | 
| 948 | < | if ((_tokenSet_10.member(LA(1)))) { | 
| 948 | > | if ((_tokenSet_13.member(LA(1)))) { | 
| 949 |  | inversionstatement(); | 
| 950 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 951 |  | } | 
| 960 |  | tmp57_AST = astFactory->create(LT(1)); | 
| 961 |  | astFactory->addASTChild(currentAST, tmp57_AST); | 
| 962 |  | match(RCURLY); | 
| 963 | < | #line 140 "MDParser.g" | 
| 963 | > | #line 180 "MDParser.g" | 
| 964 |  | tmp57_AST->setType(ENDBLOCK); | 
| 965 |  | #line 966 "MDParser.cpp" | 
| 966 |  | inversionblock_AST = currentAST.root; | 
| 1004 |  | tmp62_AST = astFactory->create(LT(1)); | 
| 1005 |  | astFactory->addASTChild(currentAST, tmp62_AST); | 
| 1006 |  | match(RCURLY); | 
| 1007 | < | #line 148 "MDParser.g" | 
| 1007 | > | #line 193 "MDParser.g" | 
| 1008 |  | tmp62_AST->setType(ENDBLOCK); | 
| 1009 |  | #line 1010 "MDParser.cpp" | 
| 1010 |  | rigidbodyblock_AST = currentAST.root; | 
| 1063 |  | tmp67_AST = astFactory->create(LT(1)); | 
| 1064 |  | astFactory->addASTChild(currentAST, tmp67_AST); | 
| 1065 |  | match(RCURLY); | 
| 1066 | < | #line 155 "MDParser.g" | 
| 1066 | > | #line 200 "MDParser.g" | 
| 1067 |  | tmp67_AST->setType(ENDBLOCK); | 
| 1068 |  | #line 1069 "MDParser.cpp" | 
| 1069 |  | cutoffgroupblock_AST = currentAST.root; | 
| 1107 |  | tmp72_AST = astFactory->create(LT(1)); | 
| 1108 |  | astFactory->addASTChild(currentAST, tmp72_AST); | 
| 1109 |  | match(RCURLY); | 
| 1110 | < | #line 162 "MDParser.g" | 
| 1110 | > | #line 207 "MDParser.g" | 
| 1111 |  | tmp72_AST->setType(ENDBLOCK); | 
| 1112 |  | #line 1113 "MDParser.cpp" | 
| 1113 |  | fragmentblock_AST = currentAST.root; | 
| 1166 |  | tmp77_AST = astFactory->create(LT(1)); | 
| 1167 |  | astFactory->addASTChild(currentAST, tmp77_AST); | 
| 1168 |  | match(RCURLY); | 
| 1169 | < | #line 168 "MDParser.g" | 
| 1169 | > | #line 213 "MDParser.g" | 
| 1170 |  | tmp77_AST->setType(ENDBLOCK); | 
| 1171 |  | #line 1172 "MDParser.cpp" | 
| 1172 |  | constraintblock_AST = currentAST.root; | 
| 1220 |  | atomstatement_AST = currentAST.root; | 
| 1221 |  | break; | 
| 1222 |  | } | 
| 1223 | + | case CHARGE: | 
| 1224 | + | { | 
| 1225 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp86_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1226 | + | tmp86_AST = astFactory->create(LT(1)); | 
| 1227 | + | astFactory->makeASTRoot(currentAST, tmp86_AST); | 
| 1228 | + | match(CHARGE); | 
| 1229 | + | match(LPAREN); | 
| 1230 | + | floatConst(); | 
| 1231 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1232 | + | match(RPAREN); | 
| 1233 | + | match(SEMICOLON); | 
| 1234 | + | atomstatement_AST = currentAST.root; | 
| 1235 | + | break; | 
| 1236 | + | } | 
| 1237 |  | default: | 
| 1238 |  | { | 
| 1239 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1242 |  | } | 
| 1243 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1244 |  | reportError(ex); | 
| 1245 | < | recover(ex,_tokenSet_11); | 
| 1245 | > | recover(ex,_tokenSet_14); | 
| 1246 |  | } | 
| 1247 |  | returnAST = atomstatement_AST; | 
| 1248 |  | } | 
| 1273 |  | } | 
| 1274 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1275 |  | reportError(ex); | 
| 1276 | < | recover(ex,_tokenSet_12); | 
| 1276 | > | recover(ex,_tokenSet_15); | 
| 1277 |  | } | 
| 1278 |  | returnAST = doubleNumberTuple_AST; | 
| 1279 |  | } | 
| 1294 |  | } | 
| 1295 |  | case MEMBERS: | 
| 1296 |  | { | 
| 1297 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp87_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1298 | < | tmp87_AST = astFactory->create(LT(1)); | 
| 1299 | < | astFactory->makeASTRoot(currentAST, tmp87_AST); | 
| 1297 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp91_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1298 | > | tmp91_AST = astFactory->create(LT(1)); | 
| 1299 | > | astFactory->makeASTRoot(currentAST, tmp91_AST); | 
| 1300 |  | match(MEMBERS); | 
| 1301 |  | match(LPAREN); | 
| 1302 |  | inttuple(); | 
| 1303 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1304 | + | match(RPAREN); | 
| 1305 | + | match(SEMICOLON); | 
| 1306 | + | bondstatement_AST = currentAST.root; | 
| 1307 | + | break; | 
| 1308 | + | } | 
| 1309 | + | case FIXED: | 
| 1310 | + | { | 
| 1311 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp95_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1312 | + | tmp95_AST = astFactory->create(LT(1)); | 
| 1313 | + | astFactory->makeASTRoot(currentAST, tmp95_AST); | 
| 1314 | + | match(FIXED); | 
| 1315 | + | match(LPAREN); | 
| 1316 | + | floatConst(); | 
| 1317 |  | astFactory->addASTChild( currentAST, returnAST ); | 
| 1318 |  | match(RPAREN); | 
| 1319 |  | match(SEMICOLON); | 
| 1320 |  | bondstatement_AST = currentAST.root; | 
| 1321 |  | break; | 
| 1322 |  | } | 
| 1323 | + | case HARMONIC: | 
| 1324 | + | { | 
| 1325 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp99_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1326 | + | tmp99_AST = astFactory->create(LT(1)); | 
| 1327 | + | astFactory->makeASTRoot(currentAST, tmp99_AST); | 
| 1328 | + | match(HARMONIC); | 
| 1329 | + | match(LPAREN); | 
| 1330 | + | doubleNumberTuple(); | 
| 1331 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1332 | + | match(RPAREN); | 
| 1333 | + | match(SEMICOLON); | 
| 1334 | + | bondstatement_AST = currentAST.root; | 
| 1335 | + | break; | 
| 1336 | + | } | 
| 1337 | + | case CUBIC: | 
| 1338 | + | { | 
| 1339 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp103_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1340 | + | tmp103_AST = astFactory->create(LT(1)); | 
| 1341 | + | astFactory->makeASTRoot(currentAST, tmp103_AST); | 
| 1342 | + | match(CUBIC); | 
| 1343 | + | match(LPAREN); | 
| 1344 | + | doubleNumberTuple(); | 
| 1345 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1346 | + | match(RPAREN); | 
| 1347 | + | match(SEMICOLON); | 
| 1348 | + | bondstatement_AST = currentAST.root; | 
| 1349 | + | break; | 
| 1350 | + | } | 
| 1351 | + | case QUARTIC: | 
| 1352 | + | { | 
| 1353 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp107_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1354 | + | tmp107_AST = astFactory->create(LT(1)); | 
| 1355 | + | astFactory->makeASTRoot(currentAST, tmp107_AST); | 
| 1356 | + | match(QUARTIC); | 
| 1357 | + | match(LPAREN); | 
| 1358 | + | doubleNumberTuple(); | 
| 1359 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1360 | + | match(RPAREN); | 
| 1361 | + | match(SEMICOLON); | 
| 1362 | + | bondstatement_AST = currentAST.root; | 
| 1363 | + | break; | 
| 1364 | + | } | 
| 1365 | + | case POLYNOMIAL: | 
| 1366 | + | { | 
| 1367 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp111_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1368 | + | tmp111_AST = astFactory->create(LT(1)); | 
| 1369 | + | astFactory->makeASTRoot(currentAST, tmp111_AST); | 
| 1370 | + | match(POLYNOMIAL); | 
| 1371 | + | match(LPAREN); | 
| 1372 | + | doubleNumberTuple(); | 
| 1373 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1374 | + | match(RPAREN); | 
| 1375 | + | match(SEMICOLON); | 
| 1376 | + | bondstatement_AST = currentAST.root; | 
| 1377 | + | break; | 
| 1378 | + | } | 
| 1379 | + | case MORSE: | 
| 1380 | + | { | 
| 1381 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp115_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1382 | + | tmp115_AST = astFactory->create(LT(1)); | 
| 1383 | + | astFactory->makeASTRoot(currentAST, tmp115_AST); | 
| 1384 | + | match(MORSE); | 
| 1385 | + | match(LPAREN); | 
| 1386 | + | doubleNumberTuple(); | 
| 1387 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1388 | + | match(RPAREN); | 
| 1389 | + | match(SEMICOLON); | 
| 1390 | + | bondstatement_AST = currentAST.root; | 
| 1391 | + | break; | 
| 1392 | + | } | 
| 1393 |  | default: | 
| 1394 |  | { | 
| 1395 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1398 |  | } | 
| 1399 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1400 |  | reportError(ex); | 
| 1401 | < | recover(ex,_tokenSet_13); | 
| 1401 | > | recover(ex,_tokenSet_16); | 
| 1402 |  | } | 
| 1403 |  | returnAST = bondstatement_AST; | 
| 1404 |  | } | 
| 1429 |  | } | 
| 1430 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1431 |  | reportError(ex); | 
| 1432 | < | recover(ex,_tokenSet_12); | 
| 1432 | > | recover(ex,_tokenSet_15); | 
| 1433 |  | } | 
| 1434 |  | returnAST = inttuple_AST; | 
| 1435 |  | } | 
| 1450 |  | } | 
| 1451 |  | case MEMBERS: | 
| 1452 |  | { | 
| 1453 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp92_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1454 | < | tmp92_AST = astFactory->create(LT(1)); | 
| 1455 | < | astFactory->makeASTRoot(currentAST, tmp92_AST); | 
| 1453 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp120_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1454 | > | tmp120_AST = astFactory->create(LT(1)); | 
| 1455 | > | astFactory->makeASTRoot(currentAST, tmp120_AST); | 
| 1456 |  | match(MEMBERS); | 
| 1457 |  | match(LPAREN); | 
| 1458 |  | inttuple(); | 
| 1462 |  | bendstatement_AST = currentAST.root; | 
| 1463 |  | break; | 
| 1464 |  | } | 
| 1465 | + | case HARMONIC: | 
| 1466 | + | { | 
| 1467 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp124_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1468 | + | tmp124_AST = astFactory->create(LT(1)); | 
| 1469 | + | astFactory->makeASTRoot(currentAST, tmp124_AST); | 
| 1470 | + | match(HARMONIC); | 
| 1471 | + | match(LPAREN); | 
| 1472 | + | doubleNumberTuple(); | 
| 1473 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1474 | + | match(RPAREN); | 
| 1475 | + | match(SEMICOLON); | 
| 1476 | + | bendstatement_AST = currentAST.root; | 
| 1477 | + | break; | 
| 1478 | + | } | 
| 1479 | + | case GHOSTBEND: | 
| 1480 | + | { | 
| 1481 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp128_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1482 | + | tmp128_AST = astFactory->create(LT(1)); | 
| 1483 | + | astFactory->makeASTRoot(currentAST, tmp128_AST); | 
| 1484 | + | match(GHOSTBEND); | 
| 1485 | + | match(LPAREN); | 
| 1486 | + | doubleNumberTuple(); | 
| 1487 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1488 | + | match(RPAREN); | 
| 1489 | + | match(SEMICOLON); | 
| 1490 | + | bendstatement_AST = currentAST.root; | 
| 1491 | + | break; | 
| 1492 | + | } | 
| 1493 | + | case UREYBRADLEY: | 
| 1494 | + | { | 
| 1495 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp132_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1496 | + | tmp132_AST = astFactory->create(LT(1)); | 
| 1497 | + | astFactory->makeASTRoot(currentAST, tmp132_AST); | 
| 1498 | + | match(UREYBRADLEY); | 
| 1499 | + | match(LPAREN); | 
| 1500 | + | doubleNumberTuple(); | 
| 1501 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1502 | + | match(RPAREN); | 
| 1503 | + | match(SEMICOLON); | 
| 1504 | + | bendstatement_AST = currentAST.root; | 
| 1505 | + | break; | 
| 1506 | + | } | 
| 1507 | + | case CUBIC: | 
| 1508 | + | { | 
| 1509 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp136_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1510 | + | tmp136_AST = astFactory->create(LT(1)); | 
| 1511 | + | astFactory->makeASTRoot(currentAST, tmp136_AST); | 
| 1512 | + | match(CUBIC); | 
| 1513 | + | match(LPAREN); | 
| 1514 | + | doubleNumberTuple(); | 
| 1515 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1516 | + | match(RPAREN); | 
| 1517 | + | match(SEMICOLON); | 
| 1518 | + | bendstatement_AST = currentAST.root; | 
| 1519 | + | break; | 
| 1520 | + | } | 
| 1521 | + | case QUARTIC: | 
| 1522 | + | { | 
| 1523 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp140_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1524 | + | tmp140_AST = astFactory->create(LT(1)); | 
| 1525 | + | astFactory->makeASTRoot(currentAST, tmp140_AST); | 
| 1526 | + | match(QUARTIC); | 
| 1527 | + | match(LPAREN); | 
| 1528 | + | doubleNumberTuple(); | 
| 1529 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1530 | + | match(RPAREN); | 
| 1531 | + | match(SEMICOLON); | 
| 1532 | + | bendstatement_AST = currentAST.root; | 
| 1533 | + | break; | 
| 1534 | + | } | 
| 1535 | + | case POLYNOMIAL: | 
| 1536 | + | { | 
| 1537 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp144_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1538 | + | tmp144_AST = astFactory->create(LT(1)); | 
| 1539 | + | astFactory->makeASTRoot(currentAST, tmp144_AST); | 
| 1540 | + | match(POLYNOMIAL); | 
| 1541 | + | match(LPAREN); | 
| 1542 | + | doubleNumberTuple(); | 
| 1543 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1544 | + | match(RPAREN); | 
| 1545 | + | match(SEMICOLON); | 
| 1546 | + | bendstatement_AST = currentAST.root; | 
| 1547 | + | break; | 
| 1548 | + | } | 
| 1549 | + | case COSINE: | 
| 1550 | + | { | 
| 1551 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp148_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1552 | + | tmp148_AST = astFactory->create(LT(1)); | 
| 1553 | + | astFactory->makeASTRoot(currentAST, tmp148_AST); | 
| 1554 | + | match(COSINE); | 
| 1555 | + | match(LPAREN); | 
| 1556 | + | doubleNumberTuple(); | 
| 1557 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1558 | + | match(RPAREN); | 
| 1559 | + | match(SEMICOLON); | 
| 1560 | + | bendstatement_AST = currentAST.root; | 
| 1561 | + | break; | 
| 1562 | + | } | 
| 1563 |  | default: | 
| 1564 |  | { | 
| 1565 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1568 |  | } | 
| 1569 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1570 |  | reportError(ex); | 
| 1571 | < | recover(ex,_tokenSet_13); | 
| 1571 | > | recover(ex,_tokenSet_17); | 
| 1572 |  | } | 
| 1573 |  | returnAST = bendstatement_AST; | 
| 1574 |  | } | 
| 1589 |  | } | 
| 1590 |  | case MEMBERS: | 
| 1591 |  | { | 
| 1592 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp96_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1593 | < | tmp96_AST = astFactory->create(LT(1)); | 
| 1594 | < | astFactory->makeASTRoot(currentAST, tmp96_AST); | 
| 1592 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp152_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1593 | > | tmp152_AST = astFactory->create(LT(1)); | 
| 1594 | > | astFactory->makeASTRoot(currentAST, tmp152_AST); | 
| 1595 |  | match(MEMBERS); | 
| 1596 |  | match(LPAREN); | 
| 1597 |  | inttuple(); | 
| 1601 |  | torsionstatement_AST = currentAST.root; | 
| 1602 |  | break; | 
| 1603 |  | } | 
| 1604 | + | case GHOSTTORSION: | 
| 1605 | + | { | 
| 1606 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp156_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1607 | + | tmp156_AST = astFactory->create(LT(1)); | 
| 1608 | + | astFactory->makeASTRoot(currentAST, tmp156_AST); | 
| 1609 | + | match(GHOSTTORSION); | 
| 1610 | + | match(LPAREN); | 
| 1611 | + | doubleNumberTuple(); | 
| 1612 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1613 | + | match(RPAREN); | 
| 1614 | + | match(SEMICOLON); | 
| 1615 | + | torsionstatement_AST = currentAST.root; | 
| 1616 | + | break; | 
| 1617 | + | } | 
| 1618 | + | case CUBIC: | 
| 1619 | + | { | 
| 1620 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp160_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1621 | + | tmp160_AST = astFactory->create(LT(1)); | 
| 1622 | + | astFactory->makeASTRoot(currentAST, tmp160_AST); | 
| 1623 | + | match(CUBIC); | 
| 1624 | + | match(LPAREN); | 
| 1625 | + | doubleNumberTuple(); | 
| 1626 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1627 | + | match(RPAREN); | 
| 1628 | + | match(SEMICOLON); | 
| 1629 | + | torsionstatement_AST = currentAST.root; | 
| 1630 | + | break; | 
| 1631 | + | } | 
| 1632 | + | case QUARTIC: | 
| 1633 | + | { | 
| 1634 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp164_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1635 | + | tmp164_AST = astFactory->create(LT(1)); | 
| 1636 | + | astFactory->makeASTRoot(currentAST, tmp164_AST); | 
| 1637 | + | match(QUARTIC); | 
| 1638 | + | match(LPAREN); | 
| 1639 | + | doubleNumberTuple(); | 
| 1640 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1641 | + | match(RPAREN); | 
| 1642 | + | match(SEMICOLON); | 
| 1643 | + | torsionstatement_AST = currentAST.root; | 
| 1644 | + | break; | 
| 1645 | + | } | 
| 1646 | + | case POLYNOMIAL: | 
| 1647 | + | { | 
| 1648 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp168_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1649 | + | tmp168_AST = astFactory->create(LT(1)); | 
| 1650 | + | astFactory->makeASTRoot(currentAST, tmp168_AST); | 
| 1651 | + | match(POLYNOMIAL); | 
| 1652 | + | match(LPAREN); | 
| 1653 | + | doubleNumberTuple(); | 
| 1654 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1655 | + | match(RPAREN); | 
| 1656 | + | match(SEMICOLON); | 
| 1657 | + | torsionstatement_AST = currentAST.root; | 
| 1658 | + | break; | 
| 1659 | + | } | 
| 1660 | + | case CHARMM: | 
| 1661 | + | { | 
| 1662 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp172_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1663 | + | tmp172_AST = astFactory->create(LT(1)); | 
| 1664 | + | astFactory->makeASTRoot(currentAST, tmp172_AST); | 
| 1665 | + | match(CHARMM); | 
| 1666 | + | match(LPAREN); | 
| 1667 | + | doubleNumberTuple(); | 
| 1668 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1669 | + | match(RPAREN); | 
| 1670 | + | match(SEMICOLON); | 
| 1671 | + | torsionstatement_AST = currentAST.root; | 
| 1672 | + | break; | 
| 1673 | + | } | 
| 1674 | + | case OPLS: | 
| 1675 | + | { | 
| 1676 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp176_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1677 | + | tmp176_AST = astFactory->create(LT(1)); | 
| 1678 | + | astFactory->makeASTRoot(currentAST, tmp176_AST); | 
| 1679 | + | match(OPLS); | 
| 1680 | + | match(LPAREN); | 
| 1681 | + | doubleNumberTuple(); | 
| 1682 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1683 | + | match(RPAREN); | 
| 1684 | + | match(SEMICOLON); | 
| 1685 | + | torsionstatement_AST = currentAST.root; | 
| 1686 | + | break; | 
| 1687 | + | } | 
| 1688 | + | case TRAPPE: | 
| 1689 | + | { | 
| 1690 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp180_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1691 | + | tmp180_AST = astFactory->create(LT(1)); | 
| 1692 | + | astFactory->makeASTRoot(currentAST, tmp180_AST); | 
| 1693 | + | match(TRAPPE); | 
| 1694 | + | match(LPAREN); | 
| 1695 | + | doubleNumberTuple(); | 
| 1696 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1697 | + | match(RPAREN); | 
| 1698 | + | match(SEMICOLON); | 
| 1699 | + | torsionstatement_AST = currentAST.root; | 
| 1700 | + | break; | 
| 1701 | + | } | 
| 1702 | + | case HARMONIC: | 
| 1703 | + | { | 
| 1704 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp184_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1705 | + | tmp184_AST = astFactory->create(LT(1)); | 
| 1706 | + | astFactory->makeASTRoot(currentAST, tmp184_AST); | 
| 1707 | + | match(HARMONIC); | 
| 1708 | + | match(LPAREN); | 
| 1709 | + | doubleNumberTuple(); | 
| 1710 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1711 | + | match(RPAREN); | 
| 1712 | + | match(SEMICOLON); | 
| 1713 | + | torsionstatement_AST = currentAST.root; | 
| 1714 | + | break; | 
| 1715 | + | } | 
| 1716 |  | default: | 
| 1717 |  | { | 
| 1718 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1721 |  | } | 
| 1722 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1723 |  | reportError(ex); | 
| 1724 | < | recover(ex,_tokenSet_13); | 
| 1724 | > | recover(ex,_tokenSet_18); | 
| 1725 |  | } | 
| 1726 |  | returnAST = torsionstatement_AST; | 
| 1727 |  | } | 
| 1742 |  | } | 
| 1743 |  | case CENTER: | 
| 1744 |  | { | 
| 1745 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp100_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1746 | < | tmp100_AST = astFactory->create(LT(1)); | 
| 1747 | < | astFactory->makeASTRoot(currentAST, tmp100_AST); | 
| 1745 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp188_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1746 | > | tmp188_AST = astFactory->create(LT(1)); | 
| 1747 | > | astFactory->makeASTRoot(currentAST, tmp188_AST); | 
| 1748 |  | match(CENTER); | 
| 1749 |  | match(LPAREN); | 
| 1750 |  | intConst(); | 
| 1756 |  | } | 
| 1757 |  | case SATELLITES: | 
| 1758 |  | { | 
| 1759 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp104_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1760 | < | tmp104_AST = astFactory->create(LT(1)); | 
| 1761 | < | astFactory->makeASTRoot(currentAST, tmp104_AST); | 
| 1759 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp192_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1760 | > | tmp192_AST = astFactory->create(LT(1)); | 
| 1761 | > | astFactory->makeASTRoot(currentAST, tmp192_AST); | 
| 1762 |  | match(SATELLITES); | 
| 1763 |  | match(LPAREN); | 
| 1764 |  | inttuple(); | 
| 1768 |  | inversionstatement_AST = currentAST.root; | 
| 1769 |  | break; | 
| 1770 |  | } | 
| 1771 | + | case AMBERIMPROPER: | 
| 1772 | + | { | 
| 1773 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp196_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1774 | + | tmp196_AST = astFactory->create(LT(1)); | 
| 1775 | + | astFactory->makeASTRoot(currentAST, tmp196_AST); | 
| 1776 | + | match(AMBERIMPROPER); | 
| 1777 | + | match(LPAREN); | 
| 1778 | + | doubleNumberTuple(); | 
| 1779 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1780 | + | match(RPAREN); | 
| 1781 | + | match(SEMICOLON); | 
| 1782 | + | inversionstatement_AST = currentAST.root; | 
| 1783 | + | break; | 
| 1784 | + | } | 
| 1785 | + | case IMPROPERCOSINE: | 
| 1786 | + | { | 
| 1787 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp200_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1788 | + | tmp200_AST = astFactory->create(LT(1)); | 
| 1789 | + | astFactory->makeASTRoot(currentAST, tmp200_AST); | 
| 1790 | + | match(IMPROPERCOSINE); | 
| 1791 | + | match(LPAREN); | 
| 1792 | + | doubleNumberTuple(); | 
| 1793 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1794 | + | match(RPAREN); | 
| 1795 | + | match(SEMICOLON); | 
| 1796 | + | inversionstatement_AST = currentAST.root; | 
| 1797 | + | break; | 
| 1798 | + | } | 
| 1799 | + | case HARMONIC: | 
| 1800 | + | { | 
| 1801 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp204_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1802 | + | tmp204_AST = astFactory->create(LT(1)); | 
| 1803 | + | astFactory->makeASTRoot(currentAST, tmp204_AST); | 
| 1804 | + | match(HARMONIC); | 
| 1805 | + | match(LPAREN); | 
| 1806 | + | doubleNumberTuple(); | 
| 1807 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1808 | + | match(RPAREN); | 
| 1809 | + | match(SEMICOLON); | 
| 1810 | + | inversionstatement_AST = currentAST.root; | 
| 1811 | + | break; | 
| 1812 | + | } | 
| 1813 | + | case CENTRALATOMHEIGHT: | 
| 1814 | + | { | 
| 1815 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp208_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1816 | + | tmp208_AST = astFactory->create(LT(1)); | 
| 1817 | + | astFactory->makeASTRoot(currentAST, tmp208_AST); | 
| 1818 | + | match(CENTRALATOMHEIGHT); | 
| 1819 | + | match(LPAREN); | 
| 1820 | + | doubleNumberTuple(); | 
| 1821 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1822 | + | match(RPAREN); | 
| 1823 | + | match(SEMICOLON); | 
| 1824 | + | inversionstatement_AST = currentAST.root; | 
| 1825 | + | break; | 
| 1826 | + | } | 
| 1827 | + | case DREIDING: | 
| 1828 | + | { | 
| 1829 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp212_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1830 | + | tmp212_AST = astFactory->create(LT(1)); | 
| 1831 | + | astFactory->makeASTRoot(currentAST, tmp212_AST); | 
| 1832 | + | match(DREIDING); | 
| 1833 | + | match(LPAREN); | 
| 1834 | + | doubleNumberTuple(); | 
| 1835 | + | astFactory->addASTChild( currentAST, returnAST ); | 
| 1836 | + | match(RPAREN); | 
| 1837 | + | match(SEMICOLON); | 
| 1838 | + | inversionstatement_AST = currentAST.root; | 
| 1839 | + | break; | 
| 1840 | + | } | 
| 1841 |  | default: | 
| 1842 |  | { | 
| 1843 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); | 
| 1846 |  | } | 
| 1847 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1848 |  | reportError(ex); | 
| 1849 | < | recover(ex,_tokenSet_14); | 
| 1849 | > | recover(ex,_tokenSet_19); | 
| 1850 |  | } | 
| 1851 |  | returnAST = inversionstatement_AST; | 
| 1852 |  | } | 
| 1867 |  | } | 
| 1868 |  | case MEMBERS: | 
| 1869 |  | { | 
| 1870 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp108_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1871 | < | tmp108_AST = astFactory->create(LT(1)); | 
| 1872 | < | astFactory->makeASTRoot(currentAST, tmp108_AST); | 
| 1870 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp216_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1871 | > | tmp216_AST = astFactory->create(LT(1)); | 
| 1872 | > | astFactory->makeASTRoot(currentAST, tmp216_AST); | 
| 1873 |  | match(MEMBERS); | 
| 1874 |  | match(LPAREN); | 
| 1875 |  | inttuple(); | 
| 1887 |  | } | 
| 1888 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1889 |  | reportError(ex); | 
| 1890 | < | recover(ex,_tokenSet_13); | 
| 1890 | > | recover(ex,_tokenSet_20); | 
| 1891 |  | } | 
| 1892 |  | returnAST = rigidbodystatement_AST; | 
| 1893 |  | } | 
| 1908 |  | } | 
| 1909 |  | case MEMBERS: | 
| 1910 |  | { | 
| 1911 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp112_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1912 | < | tmp112_AST = astFactory->create(LT(1)); | 
| 1913 | < | astFactory->makeASTRoot(currentAST, tmp112_AST); | 
| 1911 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp220_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1912 | > | tmp220_AST = astFactory->create(LT(1)); | 
| 1913 | > | astFactory->makeASTRoot(currentAST, tmp220_AST); | 
| 1914 |  | match(MEMBERS); | 
| 1915 |  | match(LPAREN); | 
| 1916 |  | inttuple(); | 
| 1928 |  | } | 
| 1929 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1930 |  | reportError(ex); | 
| 1931 | < | recover(ex,_tokenSet_13); | 
| 1931 | > | recover(ex,_tokenSet_20); | 
| 1932 |  | } | 
| 1933 |  | returnAST = cutoffgroupstatement_AST; | 
| 1934 |  | } | 
| 1945 |  | } | 
| 1946 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1947 |  | reportError(ex); | 
| 1948 | < | recover(ex,_tokenSet_15); | 
| 1948 | > | recover(ex,_tokenSet_21); | 
| 1949 |  | } | 
| 1950 |  | returnAST = fragmentstatement_AST; | 
| 1951 |  | } | 
| 1966 |  | } | 
| 1967 |  | case MEMBERS: | 
| 1968 |  | { | 
| 1969 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp116_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1970 | < | tmp116_AST = astFactory->create(LT(1)); | 
| 1971 | < | astFactory->makeASTRoot(currentAST, tmp116_AST); | 
| 1969 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp224_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1970 | > | tmp224_AST = astFactory->create(LT(1)); | 
| 1971 | > | astFactory->makeASTRoot(currentAST, tmp224_AST); | 
| 1972 |  | match(MEMBERS); | 
| 1973 |  | match(LPAREN); | 
| 1974 |  | inttuple(); | 
| 1986 |  | } | 
| 1987 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1988 |  | reportError(ex); | 
| 1989 | < | recover(ex,_tokenSet_13); | 
| 1989 | > | recover(ex,_tokenSet_20); | 
| 1990 |  | } | 
| 1991 |  | returnAST = constraintstatement_AST; | 
| 1992 |  | } | 
| 2023 |  | } | 
| 2024 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 2025 |  | reportError(ex); | 
| 2026 | < | recover(ex,_tokenSet_16); | 
| 2026 | > | recover(ex,_tokenSet_22); | 
| 2027 |  | } | 
| 2028 |  | returnAST = doubleNumber_AST; | 
| 2029 |  | } | 
| 2030 |  |  | 
| 2031 |  | void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) | 
| 2032 |  | { | 
| 2033 | < | factory.setMaxNodeType(59); | 
| 2033 | > | factory.setMaxNodeType(77); | 
| 2034 |  | } | 
| 2035 |  | const char* MDParser::tokenNames[] = { | 
| 2036 |  | "<0>", | 
| 2059 |  | "\"flucQ\"", | 
| 2060 |  | "\"RNEMD\"", | 
| 2061 |  | "\"minimizer\"", | 
| 2062 | + | "\"Fixed\"", | 
| 2063 | + | "\"Harmonic\"", | 
| 2064 | + | "\"Cubic\"", | 
| 2065 | + | "\"Quartic\"", | 
| 2066 | + | "\"Polynomial\"", | 
| 2067 | + | "\"Morse\"", | 
| 2068 | + | "\"GhostBend\"", | 
| 2069 | + | "\"UreyBradley\"", | 
| 2070 | + | "\"Cosine\"", | 
| 2071 | + | "\"GhostTorsion\"", | 
| 2072 | + | "\"Charmm\"", | 
| 2073 | + | "\"Opls\"", | 
| 2074 | + | "\"Trappe\"", | 
| 2075 | + | "\"AmberImproper\"", | 
| 2076 | + | "\"ImproperCosine\"", | 
| 2077 | + | "\"CentralAtomHeight\"", | 
| 2078 | + | "\"Dreiding\"", | 
| 2079 | + | "\"charge\"", | 
| 2080 |  | "ENDBLOCK", | 
| 2081 |  | "ID", | 
| 2082 |  | "ASSIGNEQUAL", | 
| 2114 |  | 0 | 
| 2115 |  | }; | 
| 2116 |  |  | 
| 2117 | < | const unsigned long MDParser::_tokenSet_0_data_[] = { 192938224UL, 0UL, 0UL, 0UL }; | 
| 2117 | > | const unsigned long MDParser::_tokenSet_0_data_[] = { 58720496UL, 8192UL, 0UL, 0UL }; | 
| 2118 |  | // "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer" | 
| 2119 |  | // ID | 
| 2120 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 2121 |  | const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL }; | 
| 2122 |  | // EOF | 
| 2123 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 2124 | < | const unsigned long MDParser::_tokenSet_2_data_[] = { 192938226UL, 0UL, 0UL, 0UL }; | 
| 2124 | > | const unsigned long MDParser::_tokenSet_2_data_[] = { 58720498UL, 8192UL, 0UL, 0UL }; | 
| 2125 |  | // EOF "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" | 
| 2126 |  | // "minimizer" ID | 
| 2127 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4); | 
| 2128 | < | const unsigned long MDParser::_tokenSet_3_data_[] = { 201261042UL, 1UL, 0UL, 0UL }; | 
| 2128 | > | const unsigned long MDParser::_tokenSet_3_data_[] = { 4294901746UL, 274431UL, 0UL, 0UL }; | 
| 2129 |  | // EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend" | 
| 2130 |  | // "torsion" "inversion" "rigidBody" "cutoffGroup" "constraint" "fragment" | 
| 2131 |  | // "members" "center" "satellites" "position" "orientation" "flucQ" "RNEMD" | 
| 2132 | < | // "minimizer" ID RCURLY | 
| 2132 | > | // "minimizer" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse" | 
| 2133 | > | // "GhostBend" "UreyBradley" "Cosine" "GhostTorsion" "Charmm" "Opls" "Trappe" | 
| 2134 | > | // "AmberImproper" "ImproperCosine" "CentralAtomHeight" "Dreiding" "charge" | 
| 2135 | > | // ID RCURLY | 
| 2136 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4); | 
| 2137 | < | const unsigned long MDParser::_tokenSet_4_data_[] = { 134414080UL, 0UL, 0UL, 0UL }; | 
| 2137 | > | const unsigned long MDParser::_tokenSet_4_data_[] = { 196352UL, 8192UL, 0UL, 0UL }; | 
| 2138 |  | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 2139 |  | // "constraint" "fragment" ID | 
| 2140 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4); | 
| 2141 | < | const unsigned long MDParser::_tokenSet_5_data_[] = { 536870912UL, 0UL, 0UL, 0UL }; | 
| 2141 | > | const unsigned long MDParser::_tokenSet_5_data_[] = { 0UL, 32768UL, 0UL, 0UL }; | 
| 2142 |  | // SEMICOLON | 
| 2143 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4); | 
| 2144 | < | const unsigned long MDParser::_tokenSet_6_data_[] = { 536870912UL, 52UL, 0UL, 0UL }; | 
| 2144 | > | const unsigned long MDParser::_tokenSet_6_data_[] = { 0UL, 13664256UL, 0UL, 0UL }; | 
| 2145 |  | // SEMICOLON RBRACKET RPAREN COMMA | 
| 2146 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4); | 
| 2147 | < | const unsigned long MDParser::_tokenSet_7_data_[] = { 536870912UL, 48UL, 0UL, 0UL }; | 
| 2147 | > | const unsigned long MDParser::_tokenSet_7_data_[] = { 0UL, 12615680UL, 0UL, 0UL }; | 
| 2148 |  | // SEMICOLON RPAREN COMMA | 
| 2149 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4); | 
| 2150 | < | const unsigned long MDParser::_tokenSet_8_data_[] = { 134414080UL, 1UL, 0UL, 0UL }; | 
| 2150 | > | const unsigned long MDParser::_tokenSet_8_data_[] = { 196352UL, 270336UL, 0UL, 0UL }; | 
| 2151 |  | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 2152 |  | // "constraint" "fragment" ID RCURLY | 
| 2153 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4); | 
| 2154 | < | const unsigned long MDParser::_tokenSet_9_data_[] = { 140509184UL, 0UL, 0UL, 0UL }; | 
| 2155 | < | // "position" "orientation" ID | 
| 2154 | > | const unsigned long MDParser::_tokenSet_9_data_[] = { 6291456UL, 10240UL, 0UL, 0UL }; | 
| 2155 | > | // "position" "orientation" "charge" ID | 
| 2156 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4); | 
| 2157 | < | const unsigned long MDParser::_tokenSet_10_data_[] = { 135790592UL, 0UL, 0UL, 0UL }; | 
| 2158 | < | // "center" "satellites" ID | 
| 2157 | > | const unsigned long MDParser::_tokenSet_10_data_[] = { 4228120576UL, 8192UL, 0UL, 0UL }; | 
| 2158 | > | // "members" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse" | 
| 2159 | > | // ID | 
| 2160 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4); | 
| 2161 | < | const unsigned long MDParser::_tokenSet_11_data_[] = { 140509184UL, 1UL, 0UL, 0UL }; | 
| 2162 | < | // "position" "orientation" ID RCURLY | 
| 2161 | > | const unsigned long MDParser::_tokenSet_11_data_[] = { 2013528064UL, 8199UL, 0UL, 0UL }; | 
| 2162 | > | // "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostBend" "UreyBradley" | 
| 2163 | > | // "Cosine" ID | 
| 2164 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4); | 
| 2165 | < | const unsigned long MDParser::_tokenSet_12_data_[] = { 0UL, 16UL, 0UL, 0UL }; | 
| 2166 | < | // RPAREN | 
| 2165 | > | const unsigned long MDParser::_tokenSet_12_data_[] = { 2013528064UL, 8312UL, 0UL, 0UL }; | 
| 2166 | > | // "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostTorsion" "Charmm" | 
| 2167 | > | // "Opls" "Trappe" ID | 
| 2168 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4); | 
| 2169 | < | const unsigned long MDParser::_tokenSet_13_data_[] = { 134479872UL, 1UL, 0UL, 0UL }; | 
| 2170 | < | // "members" ID RCURLY | 
| 2169 | > | const unsigned long MDParser::_tokenSet_13_data_[] = { 135790592UL, 10112UL, 0UL, 0UL }; | 
| 2170 | > | // "center" "satellites" "Harmonic" "AmberImproper" "ImproperCosine" "CentralAtomHeight" | 
| 2171 | > | // "Dreiding" ID | 
| 2172 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4); | 
| 2173 | < | const unsigned long MDParser::_tokenSet_14_data_[] = { 135790592UL, 1UL, 0UL, 0UL }; | 
| 2174 | < | // "center" "satellites" ID RCURLY | 
| 2173 | > | const unsigned long MDParser::_tokenSet_14_data_[] = { 6291456UL, 272384UL, 0UL, 0UL }; | 
| 2174 | > | // "position" "orientation" "charge" ID RCURLY | 
| 2175 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4); | 
| 2176 | < | const unsigned long MDParser::_tokenSet_15_data_[] = { 134217728UL, 1UL, 0UL, 0UL }; | 
| 2177 | < | // ID RCURLY | 
| 2176 | > | const unsigned long MDParser::_tokenSet_15_data_[] = { 0UL, 4194304UL, 0UL, 0UL }; | 
| 2177 | > | // RPAREN | 
| 2178 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4); | 
| 2179 | < | const unsigned long MDParser::_tokenSet_16_data_[] = { 0UL, 48UL, 0UL, 0UL }; | 
| 2180 | < | // RPAREN COMMA | 
| 2179 | > | const unsigned long MDParser::_tokenSet_16_data_[] = { 4228120576UL, 270336UL, 0UL, 0UL }; | 
| 2180 | > | // "members" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse" | 
| 2181 | > | // ID RCURLY | 
| 2182 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_16(_tokenSet_16_data_,4); | 
| 2183 | + | const unsigned long MDParser::_tokenSet_17_data_[] = { 2013528064UL, 270343UL, 0UL, 0UL }; | 
| 2184 | + | // "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostBend" "UreyBradley" | 
| 2185 | + | // "Cosine" ID RCURLY | 
| 2186 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_17(_tokenSet_17_data_,4); | 
| 2187 | + | const unsigned long MDParser::_tokenSet_18_data_[] = { 2013528064UL, 270456UL, 0UL, 0UL }; | 
| 2188 | + | // "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostTorsion" "Charmm" | 
| 2189 | + | // "Opls" "Trappe" ID RCURLY | 
| 2190 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_18(_tokenSet_18_data_,4); | 
| 2191 | + | const unsigned long MDParser::_tokenSet_19_data_[] = { 135790592UL, 272256UL, 0UL, 0UL }; | 
| 2192 | + | // "center" "satellites" "Harmonic" "AmberImproper" "ImproperCosine" "CentralAtomHeight" | 
| 2193 | + | // "Dreiding" ID RCURLY | 
| 2194 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_19(_tokenSet_19_data_,4); | 
| 2195 | + | const unsigned long MDParser::_tokenSet_20_data_[] = { 262144UL, 270336UL, 0UL, 0UL }; | 
| 2196 | + | // "members" ID RCURLY | 
| 2197 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_20(_tokenSet_20_data_,4); | 
| 2198 | + | const unsigned long MDParser::_tokenSet_21_data_[] = { 0UL, 270336UL, 0UL, 0UL }; | 
| 2199 | + | // ID RCURLY | 
| 2200 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_21(_tokenSet_21_data_,4); | 
| 2201 | + | const unsigned long MDParser::_tokenSet_22_data_[] = { 0UL, 12582912UL, 0UL, 0UL }; | 
| 2202 | + | // RPAREN COMMA | 
| 2203 | + | const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_22(_tokenSet_22_data_,4); | 
| 2204 |  |  | 
| 2205 |  |  |