| 1 | < | /* $ANTLR 2.7.5 (20050406): "MDTreeParser.g" -> "MDTreeParser.cpp"$ */ | 
| 1 | > | /* $ANTLR 2.7.7 (20101020): "MDTreeParser.g" -> "MDTreeParser.cpp"$ */ | 
| 2 |  | #include "MDTreeParser.hpp" | 
| 3 |  | #include <antlr/Token.hpp> | 
| 4 |  | #include <antlr/AST.hpp> | 
| 13 |  | } | 
| 14 |  |  | 
| 15 |  | void MDTreeParser::mdfile(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 16 | < | ANTLR_USE_NAMESPACE(antlr)RefAST mdfile_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 16 | > | ANTLR_USE_NAMESPACE(antlr)RefAST mdfile_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 17 |  |  | 
| 18 |  | try {      // for error handling | 
| 19 |  | { // ( ... )* | 
| 44 |  | } | 
| 45 |  |  | 
| 46 |  | void MDTreeParser::statement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 47 | < | ANTLR_USE_NAMESPACE(antlr)RefAST statement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 47 | > | ANTLR_USE_NAMESPACE(antlr)RefAST statement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 48 |  |  | 
| 49 |  | try {      // for error handling | 
| 50 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 74 |  | _t = _retTree; | 
| 75 |  | break; | 
| 76 |  | } | 
| 77 | + | case RESTRAINT: | 
| 78 | + | { | 
| 79 | + | restraintblock(_t); | 
| 80 | + | _t = _retTree; | 
| 81 | + | break; | 
| 82 | + | } | 
| 83 |  | default: | 
| 84 |  | { | 
| 85 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 95 |  | } | 
| 96 |  |  | 
| 97 |  | void MDTreeParser::assignment(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 98 | < | ANTLR_USE_NAMESPACE(antlr)RefAST assignment_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 98 | > | ANTLR_USE_NAMESPACE(antlr)RefAST assignment_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 99 |  | ANTLR_USE_NAMESPACE(antlr)RefAST id = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 100 |  |  | 
| 101 |  | try {      // for error handling | 
| 120 |  | } | 
| 121 |  |  | 
| 122 |  | void MDTreeParser::componentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 123 | < | ANTLR_USE_NAMESPACE(antlr)RefAST componentblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 123 | > | ANTLR_USE_NAMESPACE(antlr)RefAST componentblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 124 |  |  | 
| 125 |  | try {      // for error handling | 
| 126 | < | ANTLR_USE_NAMESPACE(antlr)RefAST __t13 = _t; | 
| 126 | > | ANTLR_USE_NAMESPACE(antlr)RefAST __t9 = _t; | 
| 127 |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp2_AST_in = _t; | 
| 128 |  | match(_t,COMPONENT); | 
| 129 |  | _t = _t->getFirstChild(); | 
| 130 | < | #line 69 "MDTreeParser.g" | 
| 130 | > | #line 63 "MDTreeParser.g" | 
| 131 |  | Component* currComponet = new Component(); blockStack.push(currComponet); | 
| 132 | < | #line 127 "MDTreeParser.cpp" | 
| 132 | > | #line 133 "MDTreeParser.cpp" | 
| 133 |  | { // ( ... )* | 
| 134 |  | for (;;) { | 
| 135 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 139 |  | _t = _retTree; | 
| 140 |  | } | 
| 141 |  | else { | 
| 142 | < | goto _loop15; | 
| 142 | > | goto _loop11; | 
| 143 |  | } | 
| 144 |  |  | 
| 145 |  | } | 
| 146 | < | _loop15:; | 
| 146 | > | _loop11:; | 
| 147 |  | } // ( ... )* | 
| 148 |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp3_AST_in = _t; | 
| 149 |  | match(_t,ENDBLOCK); | 
| 150 |  | _t = _t->getNextSibling(); | 
| 151 | < | _t = __t13; | 
| 151 | > | _t = __t9; | 
| 152 |  | _t = _t->getNextSibling(); | 
| 153 | < | #line 71 "MDTreeParser.g" | 
| 153 | > | #line 65 "MDTreeParser.g" | 
| 154 |  | blockStack.top()->validate();blockStack.pop(); currConf->addComponent(currComponet); | 
| 155 | < | #line 150 "MDTreeParser.cpp" | 
| 155 | > | #line 156 "MDTreeParser.cpp" | 
| 156 |  | } | 
| 157 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 158 |  | reportError(ex); | 
| 163 |  | } | 
| 164 |  |  | 
| 165 |  | void MDTreeParser::moleculeblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 166 | < | ANTLR_USE_NAMESPACE(antlr)RefAST moleculeblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 166 | > | ANTLR_USE_NAMESPACE(antlr)RefAST moleculeblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 167 |  |  | 
| 168 |  | try {      // for error handling | 
| 169 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t21 = _t; | 
| 170 |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp4_AST_in = _t; | 
| 171 |  | match(_t,MOLECULE); | 
| 172 |  | _t = _t->getFirstChild(); | 
| 173 | < | #line 79 "MDTreeParser.g" | 
| 173 | > | #line 78 "MDTreeParser.g" | 
| 174 |  | MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp); | 
| 175 | < | #line 170 "MDTreeParser.cpp" | 
| 175 | > | #line 176 "MDTreeParser.cpp" | 
| 176 |  | { // ( ... )* | 
| 177 |  | for (;;) { | 
| 178 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 193 |  | _t = _t->getNextSibling(); | 
| 194 |  | _t = __t21; | 
| 195 |  | _t = _t->getNextSibling(); | 
| 196 | < | #line 81 "MDTreeParser.g" | 
| 196 | > | #line 80 "MDTreeParser.g" | 
| 197 |  | blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp); | 
| 198 | < | #line 193 "MDTreeParser.cpp" | 
| 198 | > | #line 199 "MDTreeParser.cpp" | 
| 199 |  | } | 
| 200 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 201 |  | reportError(ex); | 
| 206 |  | } | 
| 207 |  |  | 
| 208 |  | void MDTreeParser::zconstraintblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 209 | < | ANTLR_USE_NAMESPACE(antlr)RefAST zconstraintblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 209 | > | ANTLR_USE_NAMESPACE(antlr)RefAST zconstraintblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 210 |  |  | 
| 211 |  | try {      // for error handling | 
| 212 | < | ANTLR_USE_NAMESPACE(antlr)RefAST __t17 = _t; | 
| 212 | > | ANTLR_USE_NAMESPACE(antlr)RefAST __t13 = _t; | 
| 213 |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp6_AST_in = _t; | 
| 214 |  | match(_t,ZCONSTRAINT); | 
| 215 |  | _t = _t->getFirstChild(); | 
| 216 | < | #line 74 "MDTreeParser.g" | 
| 216 | > | #line 68 "MDTreeParser.g" | 
| 217 |  | ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp); | 
| 218 | < | #line 213 "MDTreeParser.cpp" | 
| 218 | > | #line 219 "MDTreeParser.cpp" | 
| 219 |  | { // ( ... )* | 
| 220 |  | for (;;) { | 
| 221 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 225 |  | _t = _retTree; | 
| 226 |  | } | 
| 227 |  | else { | 
| 228 | + | goto _loop15; | 
| 229 | + | } | 
| 230 | + |  | 
| 231 | + | } | 
| 232 | + | _loop15:; | 
| 233 | + | } // ( ... )* | 
| 234 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp7_AST_in = _t; | 
| 235 | + | match(_t,ENDBLOCK); | 
| 236 | + | _t = _t->getNextSibling(); | 
| 237 | + | _t = __t13; | 
| 238 | + | _t = _t->getNextSibling(); | 
| 239 | + | #line 70 "MDTreeParser.g" | 
| 240 | + | blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp); | 
| 241 | + | #line 242 "MDTreeParser.cpp" | 
| 242 | + | } | 
| 243 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 244 | + | reportError(ex); | 
| 245 | + | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 246 | + | _t = _t->getNextSibling(); | 
| 247 | + | } | 
| 248 | + | _retTree = _t; | 
| 249 | + | } | 
| 250 | + |  | 
| 251 | + | void MDTreeParser::restraintblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 252 | + | ANTLR_USE_NAMESPACE(antlr)RefAST restraintblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 253 | + |  | 
| 254 | + | try {      // for error handling | 
| 255 | + | ANTLR_USE_NAMESPACE(antlr)RefAST __t17 = _t; | 
| 256 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp8_AST_in = _t; | 
| 257 | + | match(_t,RESTRAINT); | 
| 258 | + | _t = _t->getFirstChild(); | 
| 259 | + | #line 73 "MDTreeParser.g" | 
| 260 | + | RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp); | 
| 261 | + | #line 262 "MDTreeParser.cpp" | 
| 262 | + | { // ( ... )* | 
| 263 | + | for (;;) { | 
| 264 | + | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 265 | + | _t = ASTNULL; | 
| 266 | + | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 267 | + | assignment(_t); | 
| 268 | + | _t = _retTree; | 
| 269 | + | } | 
| 270 | + | else { | 
| 271 |  | goto _loop19; | 
| 272 |  | } | 
| 273 |  |  | 
| 274 |  | } | 
| 275 |  | _loop19:; | 
| 276 |  | } // ( ... )* | 
| 277 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp7_AST_in = _t; | 
| 277 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST_in = _t; | 
| 278 |  | match(_t,ENDBLOCK); | 
| 279 |  | _t = _t->getNextSibling(); | 
| 280 |  | _t = __t17; | 
| 281 |  | _t = _t->getNextSibling(); | 
| 282 | < | #line 76 "MDTreeParser.g" | 
| 283 | < | blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp); | 
| 284 | < | #line 236 "MDTreeParser.cpp" | 
| 282 | > | #line 75 "MDTreeParser.g" | 
| 283 | > | blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp); | 
| 284 | > | #line 285 "MDTreeParser.cpp" | 
| 285 |  | } | 
| 286 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 287 |  | reportError(ex); | 
| 294 |  | void MDTreeParser::constant(ANTLR_USE_NAMESPACE(antlr)RefAST _t, | 
| 295 |  | ANTLR_USE_NAMESPACE(antlr)RefAST id | 
| 296 |  | ) { | 
| 297 | < | ANTLR_USE_NAMESPACE(antlr)RefAST constant_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 297 | > | ANTLR_USE_NAMESPACE(antlr)RefAST constant_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 298 |  | ANTLR_USE_NAMESPACE(antlr)RefAST str1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 299 |  | ANTLR_USE_NAMESPACE(antlr)RefAST str2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 300 | + | #line 48 "MDTreeParser.g" | 
| 301 |  |  | 
| 302 | + | int ival; | 
| 303 | + | RealType dval; | 
| 304 | + |  | 
| 305 | + | #line 306 "MDTreeParser.cpp" | 
| 306 | + |  | 
| 307 |  | try {      // for error handling | 
| 308 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 309 |  | _t = ASTNULL; | 
| 310 |  | switch ( _t->getType()) { | 
| 311 | < | case OCTALINT: | 
| 312 | < | case DECIMALINT: | 
| 313 | < | case HEXADECIMALINT: | 
| 314 | < | case MINUS: | 
| 260 | < | case FLOATONE: | 
| 261 | < | case FLOATTWO: | 
| 262 | < | { | 
| 263 | < | signedIntOrFloat(_t,id); | 
| 311 | > | case NUM_INT: | 
| 312 | > | case NUM_LONG: | 
| 313 | > | { | 
| 314 | > | ival=intConst(_t); | 
| 315 |  | _t = _retTree; | 
| 316 | + | #line 53 "MDTreeParser.g" | 
| 317 | + | blockStack.top()->assign(id->getText(), ival); | 
| 318 | + | #line 319 "MDTreeParser.cpp" | 
| 319 |  | break; | 
| 320 |  | } | 
| 321 | + | case NUM_FLOAT: | 
| 322 | + | case NUM_DOUBLE: | 
| 323 | + | { | 
| 324 | + | dval=floatConst(_t); | 
| 325 | + | _t = _retTree; | 
| 326 | + | #line 54 "MDTreeParser.g" | 
| 327 | + | blockStack.top()->assign(id->getText(), dval); | 
| 328 | + | #line 329 "MDTreeParser.cpp" | 
| 329 | + | break; | 
| 330 | + | } | 
| 331 |  | case ID: | 
| 332 |  | { | 
| 333 |  | str1 = _t; | 
| 334 |  | match(_t,ID); | 
| 335 |  | _t = _t->getNextSibling(); | 
| 336 | < | #line 49 "MDTreeParser.g" | 
| 336 | > | #line 55 "MDTreeParser.g" | 
| 337 |  | blockStack.top()->assign(id->getText(), str1->getText()); | 
| 338 | < | #line 275 "MDTreeParser.cpp" | 
| 338 | > | #line 339 "MDTreeParser.cpp" | 
| 339 |  | break; | 
| 340 |  | } | 
| 341 |  | case StringLiteral: | 
| 343 |  | str2 = _t; | 
| 344 |  | match(_t,StringLiteral); | 
| 345 |  | _t = _t->getNextSibling(); | 
| 346 | < | #line 50 "MDTreeParser.g" | 
| 346 | > | #line 56 "MDTreeParser.g" | 
| 347 |  | std::string s =  str2->getText(); | 
| 348 |  | s = s.substr(1, s.length()-2); | 
| 349 |  | blockStack.top()->assign(id->getText(),s); | 
| 350 |  |  | 
| 351 | < | #line 288 "MDTreeParser.cpp" | 
| 351 | > | #line 352 "MDTreeParser.cpp" | 
| 352 |  | break; | 
| 353 |  | } | 
| 354 |  | default: | 
| 365 |  | _retTree = _t; | 
| 366 |  | } | 
| 367 |  |  | 
| 368 | < | void MDTreeParser::signedIntOrFloat(ANTLR_USE_NAMESPACE(antlr)RefAST _t, | 
| 369 | < | ANTLR_USE_NAMESPACE(antlr)RefAST id | 
| 306 | < | ) { | 
| 307 | < | ANTLR_USE_NAMESPACE(antlr)RefAST signedIntOrFloat_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 308 | < | ANTLR_USE_NAMESPACE(antlr)RefAST icMinus = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 309 | < | ANTLR_USE_NAMESPACE(antlr)RefAST fcMinus = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 310 | < | ANTLR_USE_NAMESPACE(antlr)RefAST ic = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 311 | < | ANTLR_USE_NAMESPACE(antlr)RefAST fc = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 312 | < | #line 56 "MDTreeParser.g" | 
| 313 | < |  | 
| 368 | > | int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 369 | > | #line 268 "MDTreeParser.g" | 
| 370 |  | int ival; | 
| 371 | < | double dval; | 
| 371 | > | #line 372 "MDTreeParser.cpp" | 
| 372 | > | ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 373 | > | ANTLR_USE_NAMESPACE(antlr)RefAST i1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 374 | > | ANTLR_USE_NAMESPACE(antlr)RefAST i2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 375 |  |  | 
| 317 | – | #line 318 "MDTreeParser.cpp" | 
| 318 | – |  | 
| 376 |  | try {      // for error handling | 
| 377 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 378 |  | _t = ASTNULL; | 
| 379 |  | switch ( _t->getType()) { | 
| 380 | < | case MINUS: | 
| 380 | > | case NUM_INT: | 
| 381 |  | { | 
| 382 | < | ANTLR_USE_NAMESPACE(antlr)RefAST __t9 = _t; | 
| 383 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp8_AST_in = _t; | 
| 327 | < | match(_t,MINUS); | 
| 328 | < | _t = _t->getFirstChild(); | 
| 329 | < | { | 
| 330 | < | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 331 | < | _t = ASTNULL; | 
| 332 | < | switch ( _t->getType()) { | 
| 333 | < | case OCTALINT: | 
| 334 | < | case DECIMALINT: | 
| 335 | < | case HEXADECIMALINT: | 
| 336 | < | { | 
| 337 | < | icMinus = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 338 | < | intConst(_t); | 
| 339 | < | _t = _retTree; | 
| 340 | < | #line 61 "MDTreeParser.g" | 
| 341 | < | ival = lexi_cast<int>(icMinus->getText()); ival = -ival; blockStack.top()->assign(id->getText(), ival); | 
| 342 | < | #line 343 "MDTreeParser.cpp" | 
| 343 | < | break; | 
| 344 | < | } | 
| 345 | < | case FLOATONE: | 
| 346 | < | case FLOATTWO: | 
| 347 | < | { | 
| 348 | < | fcMinus = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 349 | < | floatConst(_t); | 
| 350 | < | _t = _retTree; | 
| 351 | < | break; | 
| 352 | < | } | 
| 353 | < | default: | 
| 354 | < | { | 
| 355 | < | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 356 | < | } | 
| 357 | < | } | 
| 358 | < | } | 
| 359 | < | #line 62 "MDTreeParser.g" | 
| 360 | < | dval = lexi_cast<double>(fcMinus->getText());dval = -dval;  blockStack.top()->assign(id->getText(), dval); | 
| 361 | < | #line 362 "MDTreeParser.cpp" | 
| 362 | < | _t = __t9; | 
| 382 | > | i1 = _t; | 
| 383 | > | match(_t,NUM_INT); | 
| 384 |  | _t = _t->getNextSibling(); | 
| 385 | + | #line 269 "MDTreeParser.g" | 
| 386 | + | ival = lexi_cast<int>(i1->getText()); | 
| 387 | + | #line 388 "MDTreeParser.cpp" | 
| 388 |  | break; | 
| 389 |  | } | 
| 390 | < | case OCTALINT: | 
| 367 | < | case DECIMALINT: | 
| 368 | < | case HEXADECIMALINT: | 
| 369 | < | case FLOATONE: | 
| 370 | < | case FLOATTWO: | 
| 390 | > | case NUM_LONG: | 
| 391 |  | { | 
| 392 | < | { | 
| 393 | < | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 374 | < | _t = ASTNULL; | 
| 375 | < | switch ( _t->getType()) { | 
| 376 | < | case OCTALINT: | 
| 377 | < | case DECIMALINT: | 
| 378 | < | case HEXADECIMALINT: | 
| 379 | < | { | 
| 380 | < | ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 381 | < | intConst(_t); | 
| 382 | < | _t = _retTree; | 
| 383 | < | #line 64 "MDTreeParser.g" | 
| 384 | < | ival = lexi_cast<int>(ic->getText()); blockStack.top()->assign(id->getText(), ival); | 
| 385 | < | #line 386 "MDTreeParser.cpp" | 
| 386 | < | break; | 
| 387 | < | } | 
| 388 | < | case FLOATONE: | 
| 389 | < | case FLOATTWO: | 
| 390 | < | { | 
| 391 | < | fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 392 | < | floatConst(_t); | 
| 393 | < | _t = _retTree; | 
| 394 | < | #line 65 "MDTreeParser.g" | 
| 395 | < | dval = lexi_cast<double>(fc->getText());  blockStack.top()->assign(id->getText(), dval); | 
| 396 | < | #line 397 "MDTreeParser.cpp" | 
| 397 | < | break; | 
| 398 | < | } | 
| 399 | < | default: | 
| 400 | < | { | 
| 401 | < | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 402 | < | } | 
| 403 | < | } | 
| 404 | < | } | 
| 405 | < | break; | 
| 406 | < | } | 
| 407 | < | default: | 
| 408 | < | { | 
| 409 | < | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 410 | < | } | 
| 411 | < | } | 
| 412 | < | } | 
| 413 | < | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 414 | < | reportError(ex); | 
| 415 | < | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 392 | > | i2 = _t; | 
| 393 | > | match(_t,NUM_LONG); | 
| 394 |  | _t = _t->getNextSibling(); | 
| 395 | < | } | 
| 396 | < | _retTree = _t; | 
| 397 | < | } | 
| 420 | < |  | 
| 421 | < | int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 422 | < | #line 249 "MDTreeParser.g" | 
| 423 | < | int ival; | 
| 424 | < | #line 425 "MDTreeParser.cpp" | 
| 425 | < | ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 426 | < | ANTLR_USE_NAMESPACE(antlr)RefAST oival = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 427 | < | ANTLR_USE_NAMESPACE(antlr)RefAST dival = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 428 | < | ANTLR_USE_NAMESPACE(antlr)RefAST hival = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 429 | < |  | 
| 430 | < | try {      // for error handling | 
| 431 | < | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 432 | < | _t = ASTNULL; | 
| 433 | < | switch ( _t->getType()) { | 
| 434 | < | case OCTALINT: | 
| 435 | < | { | 
| 436 | < | oival = _t; | 
| 437 | < | match(_t,OCTALINT); | 
| 438 | < | _t = _t->getNextSibling(); | 
| 439 | < | #line 250 "MDTreeParser.g" | 
| 440 | < | ival = lexi_cast<int>(oival->getText()); | 
| 441 | < | #line 442 "MDTreeParser.cpp" | 
| 395 | > | #line 270 "MDTreeParser.g" | 
| 396 | > | ival = lexi_cast<int>(i2->getText()); | 
| 397 | > | #line 398 "MDTreeParser.cpp" | 
| 398 |  | break; | 
| 399 |  | } | 
| 444 | – | case DECIMALINT: | 
| 445 | – | { | 
| 446 | – | dival = _t; | 
| 447 | – | match(_t,DECIMALINT); | 
| 448 | – | _t = _t->getNextSibling(); | 
| 449 | – | #line 251 "MDTreeParser.g" | 
| 450 | – | ival = lexi_cast<int>(dival->getText()); | 
| 451 | – | #line 452 "MDTreeParser.cpp" | 
| 452 | – | break; | 
| 453 | – | } | 
| 454 | – | case HEXADECIMALINT: | 
| 455 | – | { | 
| 456 | – | hival = _t; | 
| 457 | – | match(_t,HEXADECIMALINT); | 
| 458 | – | _t = _t->getNextSibling(); | 
| 459 | – | #line 252 "MDTreeParser.g" | 
| 460 | – | ival = lexi_cast<int>(hival->getText()); | 
| 461 | – | #line 462 "MDTreeParser.cpp" | 
| 462 | – | break; | 
| 463 | – | } | 
| 400 |  | default: | 
| 401 |  | { | 
| 402 |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 412 |  | return ival; | 
| 413 |  | } | 
| 414 |  |  | 
| 415 | < | double  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 416 | < | #line 266 "MDTreeParser.g" | 
| 417 | < | double dval; | 
| 418 | < | #line 483 "MDTreeParser.cpp" | 
| 419 | < | ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 415 | > | RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 416 | > | #line 282 "MDTreeParser.g" | 
| 417 | > | RealType dval; | 
| 418 | > | #line 419 "MDTreeParser.cpp" | 
| 419 | > | ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 420 |  | ANTLR_USE_NAMESPACE(antlr)RefAST d1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 421 |  | ANTLR_USE_NAMESPACE(antlr)RefAST d2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 422 |  |  | 
| 424 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 425 |  | _t = ASTNULL; | 
| 426 |  | switch ( _t->getType()) { | 
| 427 | < | case FLOATONE: | 
| 427 | > | case NUM_FLOAT: | 
| 428 |  | { | 
| 429 |  | d1 = _t; | 
| 430 | < | match(_t,FLOATONE); | 
| 430 | > | match(_t,NUM_FLOAT); | 
| 431 |  | _t = _t->getNextSibling(); | 
| 432 | < | #line 267 "MDTreeParser.g" | 
| 433 | < | dval = lexi_cast<double>(d1->getText()); | 
| 434 | < | #line 499 "MDTreeParser.cpp" | 
| 432 | > | #line 283 "MDTreeParser.g" | 
| 433 | > | dval = lexi_cast<RealType>(d1->getText()); | 
| 434 | > | #line 435 "MDTreeParser.cpp" | 
| 435 |  | break; | 
| 436 |  | } | 
| 437 | < | case FLOATTWO: | 
| 437 | > | case NUM_DOUBLE: | 
| 438 |  | { | 
| 439 |  | d2 = _t; | 
| 440 | < | match(_t,FLOATTWO); | 
| 440 | > | match(_t,NUM_DOUBLE); | 
| 441 |  | _t = _t->getNextSibling(); | 
| 442 | < | #line 268 "MDTreeParser.g" | 
| 443 | < | dval = lexi_cast<double>(d2->getText()); | 
| 444 | < | #line 509 "MDTreeParser.cpp" | 
| 442 | > | #line 284 "MDTreeParser.g" | 
| 443 | > | dval = lexi_cast<RealType>(d2->getText()); | 
| 444 | > | #line 445 "MDTreeParser.cpp" | 
| 445 |  | break; | 
| 446 |  | } | 
| 447 |  | default: | 
| 460 |  | } | 
| 461 |  |  | 
| 462 |  | void MDTreeParser::moleculestatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 463 | < | ANTLR_USE_NAMESPACE(antlr)RefAST moleculestatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 463 | > | ANTLR_USE_NAMESPACE(antlr)RefAST moleculestatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 464 |  |  | 
| 465 |  | try {      // for error handling | 
| 466 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 496 |  | _t = _retTree; | 
| 497 |  | break; | 
| 498 |  | } | 
| 499 | + | case INVERSION: | 
| 500 | + | { | 
| 501 | + | inversionblock(_t); | 
| 502 | + | _t = _retTree; | 
| 503 | + | break; | 
| 504 | + | } | 
| 505 |  | case RIGIDBODY: | 
| 506 |  | { | 
| 507 |  | rigidbodyblock(_t); | 
| 535 |  | } | 
| 536 |  |  | 
| 537 |  | void MDTreeParser::atomblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 538 | < | ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 538 | > | ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 539 |  | #line 94 "MDTreeParser.g" | 
| 540 |  |  | 
| 541 |  | int index; | 
| 542 |  |  | 
| 543 | < | #line 602 "MDTreeParser.cpp" | 
| 543 | > | #line 544 "MDTreeParser.cpp" | 
| 544 |  |  | 
| 545 |  | try {      // for error handling | 
| 546 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t26 = _t; | 
| 547 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST_in = _t; | 
| 547 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp10_AST_in = _t; | 
| 548 |  | match(_t,ATOM); | 
| 549 |  | _t = _t->getFirstChild(); | 
| 550 |  | index=intConst(_t); | 
| 551 |  | _t = _retTree; | 
| 552 |  | #line 98 "MDTreeParser.g" | 
| 553 |  | AtomStamp* currAtomStamp = new AtomStamp(index); blockStack.push(currAtomStamp); | 
| 554 | < | #line 613 "MDTreeParser.cpp" | 
| 554 | > | #line 555 "MDTreeParser.cpp" | 
| 555 |  | { // ( ... )* | 
| 556 |  | for (;;) { | 
| 557 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 567 |  | } | 
| 568 |  | _loop28:; | 
| 569 |  | } // ( ... )* | 
| 570 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp10_AST_in = _t; | 
| 570 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp11_AST_in = _t; | 
| 571 |  | match(_t,ENDBLOCK); | 
| 572 |  | _t = _t->getNextSibling(); | 
| 573 |  | _t = __t26; | 
| 579 |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 580 |  | currMoleculeStamp->addAtomStamp(currAtomStamp); | 
| 581 |  |  | 
| 582 | < | #line 641 "MDTreeParser.cpp" | 
| 582 | > | #line 583 "MDTreeParser.cpp" | 
| 583 |  | } | 
| 584 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 585 |  | reportError(ex); | 
| 590 |  | } | 
| 591 |  |  | 
| 592 |  | void MDTreeParser::bondblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 593 | < | ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 593 | > | ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 594 |  |  | 
| 595 |  | try {      // for error handling | 
| 596 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t33 = _t; | 
| 597 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp11_AST_in = _t; | 
| 597 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp12_AST_in = _t; | 
| 598 |  | match(_t,BOND); | 
| 599 |  | _t = _t->getFirstChild(); | 
| 600 |  | #line 120 "MDTreeParser.g" | 
| 601 |  | BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp); | 
| 602 | < | #line 661 "MDTreeParser.cpp" | 
| 602 | > | #line 603 "MDTreeParser.cpp" | 
| 603 |  | { // ( ... )* | 
| 604 |  | for (;;) { | 
| 605 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 615 |  | } | 
| 616 |  | _loop35:; | 
| 617 |  | } // ( ... )* | 
| 618 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp12_AST_in = _t; | 
| 618 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST_in = _t; | 
| 619 |  | match(_t,ENDBLOCK); | 
| 620 |  | _t = _t->getNextSibling(); | 
| 621 |  | _t = __t33; | 
| 626 |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 627 |  | currMoleculeStamp->addBondStamp(currBondStamp); | 
| 628 |  |  | 
| 629 | < | #line 688 "MDTreeParser.cpp" | 
| 629 | > | #line 630 "MDTreeParser.cpp" | 
| 630 |  | } | 
| 631 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 632 |  | reportError(ex); | 
| 637 |  | } | 
| 638 |  |  | 
| 639 |  | void MDTreeParser::bendblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 640 | < | ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 640 | > | ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 641 |  |  | 
| 642 |  | try {      // for error handling | 
| 643 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t39 = _t; | 
| 644 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST_in = _t; | 
| 644 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST_in = _t; | 
| 645 |  | match(_t,BEND); | 
| 646 |  | _t = _t->getFirstChild(); | 
| 647 |  | #line 138 "MDTreeParser.g" | 
| 648 |  | BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp); | 
| 649 | < | #line 708 "MDTreeParser.cpp" | 
| 649 | > | #line 650 "MDTreeParser.cpp" | 
| 650 |  | { // ( ... )* | 
| 651 |  | for (;;) { | 
| 652 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 662 |  | } | 
| 663 |  | _loop41:; | 
| 664 |  | } // ( ... )* | 
| 665 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST_in = _t; | 
| 665 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST_in = _t; | 
| 666 |  | match(_t,ENDBLOCK); | 
| 667 |  | _t = _t->getNextSibling(); | 
| 668 |  | _t = __t39; | 
| 674 |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 675 |  | currMoleculeStamp->addBendStamp(currBendStamp); | 
| 676 |  |  | 
| 677 | < | #line 736 "MDTreeParser.cpp" | 
| 677 | > | #line 678 "MDTreeParser.cpp" | 
| 678 |  | } | 
| 679 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 680 |  | reportError(ex); | 
| 685 |  | } | 
| 686 |  |  | 
| 687 |  | void MDTreeParser::torsionblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 688 | < | ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 688 | > | ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 689 |  |  | 
| 690 |  | try {      // for error handling | 
| 691 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t45 = _t; | 
| 692 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST_in = _t; | 
| 692 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST_in = _t; | 
| 693 |  | match(_t,TORSION); | 
| 694 |  | _t = _t->getFirstChild(); | 
| 695 |  | #line 157 "MDTreeParser.g" | 
| 696 |  | TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp); | 
| 697 | < | #line 756 "MDTreeParser.cpp" | 
| 697 | > | #line 698 "MDTreeParser.cpp" | 
| 698 |  | { // ( ... )* | 
| 699 |  | for (;;) { | 
| 700 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 710 |  | } | 
| 711 |  | _loop47:; | 
| 712 |  | } // ( ... )* | 
| 713 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST_in = _t; | 
| 713 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST_in = _t; | 
| 714 |  | match(_t,ENDBLOCK); | 
| 715 |  | _t = _t->getNextSibling(); | 
| 716 |  | _t = __t45; | 
| 722 |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 723 |  | currMoleculeStamp->addTorsionStamp(currTorsionStamp); | 
| 724 |  |  | 
| 725 | < | #line 784 "MDTreeParser.cpp" | 
| 725 | > | #line 726 "MDTreeParser.cpp" | 
| 726 |  | } | 
| 727 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 728 |  | reportError(ex); | 
| 732 |  | _retTree = _t; | 
| 733 |  | } | 
| 734 |  |  | 
| 735 | < | void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 736 | < | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 795 | < | #line 176 "MDTreeParser.g" | 
| 796 | < |  | 
| 797 | < | int index; | 
| 798 | < |  | 
| 799 | < | #line 800 "MDTreeParser.cpp" | 
| 735 | > | void MDTreeParser::inversionblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 736 | > | ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 737 |  |  | 
| 738 |  | try {      // for error handling | 
| 739 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t51 = _t; | 
| 740 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST_in = _t; | 
| 741 | < | match(_t,RIGIDBODY); | 
| 740 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST_in = _t; | 
| 741 | > | match(_t,INVERSION); | 
| 742 |  | _t = _t->getFirstChild(); | 
| 743 | < | index=intConst(_t); | 
| 744 | < | _t = _retTree; | 
| 745 | < | #line 180 "MDTreeParser.g" | 
| 809 | < | RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp); | 
| 810 | < | #line 811 "MDTreeParser.cpp" | 
| 743 | > | #line 176 "MDTreeParser.g" | 
| 744 | > | InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp); | 
| 745 | > | #line 746 "MDTreeParser.cpp" | 
| 746 |  | { // ( ... )* | 
| 747 |  | for (;;) { | 
| 748 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 749 |  | _t = ASTNULL; | 
| 750 | < | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 751 | < | rigidbodystatement(_t); | 
| 750 | > | if ((_t->getType() == CENTER || _t->getType() == ASSIGNEQUAL)) { | 
| 751 | > | inversionstatement(_t); | 
| 752 |  | _t = _retTree; | 
| 753 |  | } | 
| 754 |  | else { | 
| 758 |  | } | 
| 759 |  | _loop53:; | 
| 760 |  | } // ( ... )* | 
| 761 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST_in = _t; | 
| 761 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST_in = _t; | 
| 762 |  | match(_t,ENDBLOCK); | 
| 763 |  | _t = _t->getNextSibling(); | 
| 764 |  | _t = __t51; | 
| 765 |  | _t = _t->getNextSibling(); | 
| 766 | < | #line 182 "MDTreeParser.g" | 
| 766 | > | #line 178 "MDTreeParser.g" | 
| 767 |  |  | 
| 768 |  | blockStack.top()->validate(); | 
| 769 |  | blockStack.pop(); | 
| 770 |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 771 | < | currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp); | 
| 771 | > | currMoleculeStamp->addInversionStamp(currInversionStamp); | 
| 772 |  |  | 
| 773 | < | #line 839 "MDTreeParser.cpp" | 
| 773 | > | #line 774 "MDTreeParser.cpp" | 
| 774 |  | } | 
| 775 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 776 |  | reportError(ex); | 
| 780 |  | _retTree = _t; | 
| 781 |  | } | 
| 782 |  |  | 
| 783 | < | void MDTreeParser::cutoffgroupblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 784 | < | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 783 | > | void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 784 | > | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 785 | > | #line 195 "MDTreeParser.g" | 
| 786 |  |  | 
| 787 | + | int index; | 
| 788 | + |  | 
| 789 | + | #line 790 "MDTreeParser.cpp" | 
| 790 | + |  | 
| 791 |  | try {      // for error handling | 
| 792 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t57 = _t; | 
| 793 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST_in = _t; | 
| 794 | < | match(_t,CUTOFFGROUP); | 
| 793 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST_in = _t; | 
| 794 | > | match(_t,RIGIDBODY); | 
| 795 |  | _t = _t->getFirstChild(); | 
| 796 | + | index=intConst(_t); | 
| 797 | + | _t = _retTree; | 
| 798 |  | #line 199 "MDTreeParser.g" | 
| 799 | < | CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp); | 
| 800 | < | #line 859 "MDTreeParser.cpp" | 
| 799 | > | RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp); | 
| 800 | > | #line 801 "MDTreeParser.cpp" | 
| 801 |  | { // ( ... )* | 
| 802 |  | for (;;) { | 
| 803 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 804 |  | _t = ASTNULL; | 
| 805 |  | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 806 | < | cutoffgroupstatement(_t); | 
| 806 | > | rigidbodystatement(_t); | 
| 807 |  | _t = _retTree; | 
| 808 |  | } | 
| 809 |  | else { | 
| 813 |  | } | 
| 814 |  | _loop59:; | 
| 815 |  | } // ( ... )* | 
| 816 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST_in = _t; | 
| 816 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST_in = _t; | 
| 817 |  | match(_t,ENDBLOCK); | 
| 818 |  | _t = _t->getNextSibling(); | 
| 819 |  | _t = __t57; | 
| 823 |  | blockStack.top()->validate(); | 
| 824 |  | blockStack.pop(); | 
| 825 |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 826 | + | currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp); | 
| 827 | + |  | 
| 828 | + | #line 829 "MDTreeParser.cpp" | 
| 829 | + | } | 
| 830 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 831 | + | reportError(ex); | 
| 832 | + | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 833 | + | _t = _t->getNextSibling(); | 
| 834 | + | } | 
| 835 | + | _retTree = _t; | 
| 836 | + | } | 
| 837 | + |  | 
| 838 | + | void MDTreeParser::cutoffgroupblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 839 | + | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 840 | + |  | 
| 841 | + | try {      // for error handling | 
| 842 | + | ANTLR_USE_NAMESPACE(antlr)RefAST __t63 = _t; | 
| 843 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST_in = _t; | 
| 844 | + | match(_t,CUTOFFGROUP); | 
| 845 | + | _t = _t->getFirstChild(); | 
| 846 | + | #line 218 "MDTreeParser.g" | 
| 847 | + | CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp); | 
| 848 | + | #line 849 "MDTreeParser.cpp" | 
| 849 | + | { // ( ... )* | 
| 850 | + | for (;;) { | 
| 851 | + | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 852 | + | _t = ASTNULL; | 
| 853 | + | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 854 | + | cutoffgroupstatement(_t); | 
| 855 | + | _t = _retTree; | 
| 856 | + | } | 
| 857 | + | else { | 
| 858 | + | goto _loop65; | 
| 859 | + | } | 
| 860 | + |  | 
| 861 | + | } | 
| 862 | + | _loop65:; | 
| 863 | + | } // ( ... )* | 
| 864 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST_in = _t; | 
| 865 | + | match(_t,ENDBLOCK); | 
| 866 | + | _t = _t->getNextSibling(); | 
| 867 | + | _t = __t63; | 
| 868 | + | _t = _t->getNextSibling(); | 
| 869 | + | #line 220 "MDTreeParser.g" | 
| 870 | + |  | 
| 871 | + | blockStack.top()->validate(); | 
| 872 | + | blockStack.pop(); | 
| 873 | + | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 874 |  | currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp); | 
| 875 |  |  | 
| 876 | < | #line 887 "MDTreeParser.cpp" | 
| 876 | > | #line 877 "MDTreeParser.cpp" | 
| 877 |  | } | 
| 878 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 879 |  | reportError(ex); | 
| 884 |  | } | 
| 885 |  |  | 
| 886 |  | void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 887 | < | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 888 | < | #line 218 "MDTreeParser.g" | 
| 887 | > | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 888 | > | #line 237 "MDTreeParser.g" | 
| 889 |  | int ival; | 
| 890 | < | #line 901 "MDTreeParser.cpp" | 
| 890 | > | #line 891 "MDTreeParser.cpp" | 
| 891 |  |  | 
| 892 |  | try {      // for error handling | 
| 893 | < | ANTLR_USE_NAMESPACE(antlr)RefAST __t63 = _t; | 
| 894 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST_in = _t; | 
| 893 | > | ANTLR_USE_NAMESPACE(antlr)RefAST __t69 = _t; | 
| 894 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST_in = _t; | 
| 895 |  | match(_t,FRAGMENT); | 
| 896 |  | _t = _t->getFirstChild(); | 
| 897 |  | ival=intConst(_t); | 
| 898 |  | _t = _retTree; | 
| 899 | < | #line 219 "MDTreeParser.g" | 
| 899 | > | #line 238 "MDTreeParser.g" | 
| 900 |  | FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp); | 
| 901 | < | #line 912 "MDTreeParser.cpp" | 
| 901 | > | #line 902 "MDTreeParser.cpp" | 
| 902 |  | { // ( ... )* | 
| 903 |  | for (;;) { | 
| 904 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 908 |  | _t = _retTree; | 
| 909 |  | } | 
| 910 |  | else { | 
| 911 | < | goto _loop65; | 
| 911 | > | goto _loop71; | 
| 912 |  | } | 
| 913 |  |  | 
| 914 |  | } | 
| 915 | < | _loop65:; | 
| 915 | > | _loop71:; | 
| 916 |  | } // ( ... )* | 
| 917 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST_in = _t; | 
| 917 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST_in = _t; | 
| 918 |  | match(_t,ENDBLOCK); | 
| 919 |  | _t = _t->getNextSibling(); | 
| 920 | < | _t = __t63; | 
| 920 | > | _t = __t69; | 
| 921 |  | _t = _t->getNextSibling(); | 
| 922 | < | #line 221 "MDTreeParser.g" | 
| 922 | > | #line 240 "MDTreeParser.g" | 
| 923 |  |  | 
| 924 |  | blockStack.top()->validate(); | 
| 925 |  | blockStack.pop(); | 
| 926 |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 927 |  | currMoleculeStamp->addFragmentStamp(currFragmentStamp); | 
| 928 |  |  | 
| 929 | < | #line 940 "MDTreeParser.cpp" | 
| 929 | > | #line 930 "MDTreeParser.cpp" | 
| 930 |  | } | 
| 931 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 932 |  | reportError(ex); | 
| 937 |  | } | 
| 938 |  |  | 
| 939 |  | void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 940 | < | ANTLR_USE_NAMESPACE(antlr)RefAST atomstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 940 | > | ANTLR_USE_NAMESPACE(antlr)RefAST atomstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 941 |  | #line 108 "MDTreeParser.g" | 
| 942 |  |  | 
| 943 | < | vector<double> dvec; | 
| 943 | > | vector<RealType> dvec; | 
| 944 |  | AtomStamp* currAtomStamp =  static_cast<AtomStamp*>(blockStack.top()); | 
| 945 |  |  | 
| 946 |  |  | 
| 947 | < | #line 958 "MDTreeParser.cpp" | 
| 947 | > | #line 948 "MDTreeParser.cpp" | 
| 948 |  |  | 
| 949 |  | try {      // for error handling | 
| 950 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 959 |  | case POSITION: | 
| 960 |  | { | 
| 961 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t30 = _t; | 
| 962 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST_in = _t; | 
| 962 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST_in = _t; | 
| 963 |  | match(_t,POSITION); | 
| 964 |  | _t = _t->getFirstChild(); | 
| 965 | < | dvec=signedNumberTuple(_t); | 
| 965 | > | dvec=doubleNumberTuple(_t); | 
| 966 |  | _t = _retTree; | 
| 967 |  | _t = __t30; | 
| 968 |  | _t = _t->getNextSibling(); | 
| 969 |  | #line 115 "MDTreeParser.g" | 
| 970 |  | currAtomStamp->setPosition(dvec); | 
| 971 | < | #line 982 "MDTreeParser.cpp" | 
| 971 | > | #line 972 "MDTreeParser.cpp" | 
| 972 |  | break; | 
| 973 |  | } | 
| 974 |  | case ORIENTATION: | 
| 975 |  | { | 
| 976 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t31 = _t; | 
| 977 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST_in = _t; | 
| 977 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST_in = _t; | 
| 978 |  | match(_t,ORIENTATION); | 
| 979 |  | _t = _t->getFirstChild(); | 
| 980 | < | dvec=signedNumberTuple(_t); | 
| 980 | > | dvec=doubleNumberTuple(_t); | 
| 981 |  | _t = _retTree; | 
| 982 |  | _t = __t31; | 
| 983 |  | _t = _t->getNextSibling(); | 
| 984 |  | #line 116 "MDTreeParser.g" | 
| 985 |  | currAtomStamp->setOrientation(dvec); | 
| 986 | < | #line 997 "MDTreeParser.cpp" | 
| 986 | > | #line 987 "MDTreeParser.cpp" | 
| 987 |  | break; | 
| 988 |  | } | 
| 989 |  | default: | 
| 1000 |  | _retTree = _t; | 
| 1001 |  | } | 
| 1002 |  |  | 
| 1003 | < | vector<double>  MDTreeParser::signedNumberTuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1004 | < | #line 234 "MDTreeParser.g" | 
| 1005 | < | vector<double> dvec; | 
| 1006 | < | #line 1017 "MDTreeParser.cpp" | 
| 1007 | < | ANTLR_USE_NAMESPACE(antlr)RefAST signedNumberTuple_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1008 | < | #line 234 "MDTreeParser.g" | 
| 1003 | > | vector<RealType>  MDTreeParser::doubleNumberTuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1004 | > | #line 253 "MDTreeParser.g" | 
| 1005 | > | vector<RealType> dvec; | 
| 1006 | > | #line 1007 "MDTreeParser.cpp" | 
| 1007 | > | ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumberTuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1008 | > | #line 253 "MDTreeParser.g" | 
| 1009 |  |  | 
| 1010 | < | double dval; | 
| 1010 | > | RealType dval; | 
| 1011 |  |  | 
| 1012 | < | #line 1023 "MDTreeParser.cpp" | 
| 1012 | > | #line 1013 "MDTreeParser.cpp" | 
| 1013 |  |  | 
| 1014 |  | try {      // for error handling | 
| 1015 |  | { // ( ... )+ | 
| 1016 | < | int _cnt69=0; | 
| 1016 | > | int _cnt75=0; | 
| 1017 |  | for (;;) { | 
| 1018 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1019 |  | _t = ASTNULL; | 
| 1020 | < | if ((_tokenSet_2.member(_t->getType()))) { | 
| 1021 | < | dval=signedNumber(_t); | 
| 1020 | > | if (((_t->getType() >= NUM_INT && _t->getType() <= NUM_DOUBLE))) { | 
| 1021 | > | dval=doubleNumber(_t); | 
| 1022 |  | _t = _retTree; | 
| 1023 | < | #line 238 "MDTreeParser.g" | 
| 1023 | > | #line 257 "MDTreeParser.g" | 
| 1024 |  | dvec.push_back(dval); | 
| 1025 | < | #line 1036 "MDTreeParser.cpp" | 
| 1025 | > | #line 1026 "MDTreeParser.cpp" | 
| 1026 |  | } | 
| 1027 |  | else { | 
| 1028 | < | if ( _cnt69>=1 ) { goto _loop69; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} | 
| 1028 | > | if ( _cnt75>=1 ) { goto _loop75; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} | 
| 1029 |  | } | 
| 1030 |  |  | 
| 1031 | < | _cnt69++; | 
| 1031 | > | _cnt75++; | 
| 1032 |  | } | 
| 1033 | < | _loop69:; | 
| 1033 | > | _loop75:; | 
| 1034 |  | }  // ( ... )+ | 
| 1035 |  | } | 
| 1036 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1043 |  | } | 
| 1044 |  |  | 
| 1045 |  | void MDTreeParser::bondstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1046 | < | ANTLR_USE_NAMESPACE(antlr)RefAST bondstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1046 | > | ANTLR_USE_NAMESPACE(antlr)RefAST bondstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1047 |  | #line 129 "MDTreeParser.g" | 
| 1048 |  |  | 
| 1049 |  | vector<int> ivec; | 
| 1050 |  | BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top()); | 
| 1051 |  |  | 
| 1052 | < | #line 1063 "MDTreeParser.cpp" | 
| 1052 | > | #line 1053 "MDTreeParser.cpp" | 
| 1053 |  |  | 
| 1054 |  | try {      // for error handling | 
| 1055 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1064 |  | case MEMBERS: | 
| 1065 |  | { | 
| 1066 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t37 = _t; | 
| 1067 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST_in = _t; | 
| 1067 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST_in = _t; | 
| 1068 |  | match(_t,MEMBERS); | 
| 1069 |  | _t = _t->getFirstChild(); | 
| 1070 |  | ivec=inttuple(_t); | 
| 1073 |  | _t = _t->getNextSibling(); | 
| 1074 |  | #line 135 "MDTreeParser.g" | 
| 1075 |  | currBondStamp->setMembers(ivec); | 
| 1076 | < | #line 1087 "MDTreeParser.cpp" | 
| 1076 | > | #line 1077 "MDTreeParser.cpp" | 
| 1077 |  | break; | 
| 1078 |  | } | 
| 1079 |  | default: | 
| 1091 |  | } | 
| 1092 |  |  | 
| 1093 |  | vector<int>  MDTreeParser::inttuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1094 | < | #line 241 "MDTreeParser.g" | 
| 1094 | > | #line 260 "MDTreeParser.g" | 
| 1095 |  | vector<int> ivec; | 
| 1096 | < | #line 1107 "MDTreeParser.cpp" | 
| 1097 | < | ANTLR_USE_NAMESPACE(antlr)RefAST inttuple_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1098 | < | #line 241 "MDTreeParser.g" | 
| 1096 | > | #line 1097 "MDTreeParser.cpp" | 
| 1097 | > | ANTLR_USE_NAMESPACE(antlr)RefAST inttuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1098 | > | #line 260 "MDTreeParser.g" | 
| 1099 |  |  | 
| 1100 |  | int ival; | 
| 1101 |  |  | 
| 1102 | < | #line 1113 "MDTreeParser.cpp" | 
| 1102 | > | #line 1103 "MDTreeParser.cpp" | 
| 1103 |  |  | 
| 1104 |  | try {      // for error handling | 
| 1105 |  | { // ( ... )+ | 
| 1106 | < | int _cnt72=0; | 
| 1106 | > | int _cnt78=0; | 
| 1107 |  | for (;;) { | 
| 1108 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1109 |  | _t = ASTNULL; | 
| 1110 | < | if (((_t->getType() >= OCTALINT && _t->getType() <= HEXADECIMALINT))) { | 
| 1110 | > | if ((_t->getType() == NUM_INT || _t->getType() == NUM_LONG)) { | 
| 1111 |  | ival=intConst(_t); | 
| 1112 |  | _t = _retTree; | 
| 1113 | < | #line 245 "MDTreeParser.g" | 
| 1113 | > | #line 264 "MDTreeParser.g" | 
| 1114 |  | ivec.push_back(ival); | 
| 1115 | < | #line 1126 "MDTreeParser.cpp" | 
| 1115 | > | #line 1116 "MDTreeParser.cpp" | 
| 1116 |  | } | 
| 1117 |  | else { | 
| 1118 | < | if ( _cnt72>=1 ) { goto _loop72; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} | 
| 1118 | > | if ( _cnt78>=1 ) { goto _loop78; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} | 
| 1119 |  | } | 
| 1120 |  |  | 
| 1121 | < | _cnt72++; | 
| 1121 | > | _cnt78++; | 
| 1122 |  | } | 
| 1123 | < | _loop72:; | 
| 1123 | > | _loop78:; | 
| 1124 |  | }  // ( ... )+ | 
| 1125 |  | } | 
| 1126 |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1133 |  | } | 
| 1134 |  |  | 
| 1135 |  | void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1136 | < | ANTLR_USE_NAMESPACE(antlr)RefAST bendstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1136 | > | ANTLR_USE_NAMESPACE(antlr)RefAST bendstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1137 |  | #line 148 "MDTreeParser.g" | 
| 1138 |  |  | 
| 1139 |  | vector<int> ivec; | 
| 1140 |  | BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top()); | 
| 1141 |  |  | 
| 1142 | < | #line 1153 "MDTreeParser.cpp" | 
| 1142 | > | #line 1143 "MDTreeParser.cpp" | 
| 1143 |  |  | 
| 1144 |  | try {      // for error handling | 
| 1145 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1154 |  | case MEMBERS: | 
| 1155 |  | { | 
| 1156 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t43 = _t; | 
| 1157 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST_in = _t; | 
| 1157 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST_in = _t; | 
| 1158 |  | match(_t,MEMBERS); | 
| 1159 |  | _t = _t->getFirstChild(); | 
| 1160 |  | ivec=inttuple(_t); | 
| 1163 |  | _t = _t->getNextSibling(); | 
| 1164 |  | #line 154 "MDTreeParser.g" | 
| 1165 |  | currBendStamp->setMembers(ivec); | 
| 1166 | < | #line 1177 "MDTreeParser.cpp" | 
| 1166 | > | #line 1167 "MDTreeParser.cpp" | 
| 1167 |  | break; | 
| 1168 |  | } | 
| 1169 |  | default: | 
| 1181 |  | } | 
| 1182 |  |  | 
| 1183 |  | void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1184 | < | ANTLR_USE_NAMESPACE(antlr)RefAST torsionstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1184 | > | ANTLR_USE_NAMESPACE(antlr)RefAST torsionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1185 |  | #line 167 "MDTreeParser.g" | 
| 1186 |  |  | 
| 1187 |  | vector<int> ivec; | 
| 1188 |  | TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top()); | 
| 1189 |  |  | 
| 1190 | < | #line 1201 "MDTreeParser.cpp" | 
| 1190 | > | #line 1191 "MDTreeParser.cpp" | 
| 1191 |  |  | 
| 1192 |  | try {      // for error handling | 
| 1193 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1202 |  | case MEMBERS: | 
| 1203 |  | { | 
| 1204 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t49 = _t; | 
| 1205 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST_in = _t; | 
| 1205 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST_in = _t; | 
| 1206 |  | match(_t,MEMBERS); | 
| 1207 |  | _t = _t->getFirstChild(); | 
| 1208 |  | ivec=inttuple(_t); | 
| 1211 |  | _t = _t->getNextSibling(); | 
| 1212 |  | #line 173 "MDTreeParser.g" | 
| 1213 |  | currTorsionStamp->setMembers(ivec); | 
| 1214 | < | #line 1225 "MDTreeParser.cpp" | 
| 1214 | > | #line 1215 "MDTreeParser.cpp" | 
| 1215 |  | break; | 
| 1216 |  | } | 
| 1217 |  | default: | 
| 1228 |  | _retTree = _t; | 
| 1229 |  | } | 
| 1230 |  |  | 
| 1231 | < | void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1232 | < | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodystatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1233 | < | #line 190 "MDTreeParser.g" | 
| 1231 | > | void MDTreeParser::inversionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1232 | > | ANTLR_USE_NAMESPACE(antlr)RefAST inversionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1233 | > | #line 186 "MDTreeParser.g" | 
| 1234 |  |  | 
| 1235 | < | vector<int> ivec; | 
| 1236 | < | RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top()); | 
| 1235 | > | int icent; | 
| 1236 | > | InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top()); | 
| 1237 |  |  | 
| 1238 | < | #line 1249 "MDTreeParser.cpp" | 
| 1238 | > | #line 1239 "MDTreeParser.cpp" | 
| 1239 |  |  | 
| 1240 |  | try {      // for error handling | 
| 1241 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1247 |  | _t = _retTree; | 
| 1248 |  | break; | 
| 1249 |  | } | 
| 1250 | < | case MEMBERS: | 
| 1250 | > | case CENTER: | 
| 1251 |  | { | 
| 1252 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t55 = _t; | 
| 1253 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST_in = _t; | 
| 1254 | < | match(_t,MEMBERS); | 
| 1253 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST_in = _t; | 
| 1254 | > | match(_t,CENTER); | 
| 1255 |  | _t = _t->getFirstChild(); | 
| 1256 | < | ivec=inttuple(_t); | 
| 1256 | > | icent=intConst(_t); | 
| 1257 |  | _t = _retTree; | 
| 1258 |  | _t = __t55; | 
| 1259 |  | _t = _t->getNextSibling(); | 
| 1260 | < | #line 196 "MDTreeParser.g" | 
| 1261 | < | currRigidBodyStamp->setMembers(ivec); | 
| 1262 | < | #line 1273 "MDTreeParser.cpp" | 
| 1260 | > | #line 192 "MDTreeParser.g" | 
| 1261 | > | currInversionStamp->setCenter(icent); | 
| 1262 | > | #line 1263 "MDTreeParser.cpp" | 
| 1263 |  | break; | 
| 1264 |  | } | 
| 1265 |  | default: | 
| 1276 |  | _retTree = _t; | 
| 1277 |  | } | 
| 1278 |  |  | 
| 1279 | < | void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1280 | < | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1279 | > | void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1280 | > | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodystatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1281 |  | #line 209 "MDTreeParser.g" | 
| 1282 |  |  | 
| 1283 |  | vector<int> ivec; | 
| 1284 | < | CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top()); | 
| 1284 | > | RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top()); | 
| 1285 |  |  | 
| 1286 | < | #line 1297 "MDTreeParser.cpp" | 
| 1286 | > | #line 1287 "MDTreeParser.cpp" | 
| 1287 |  |  | 
| 1288 |  | try {      // for error handling | 
| 1289 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1298 |  | case MEMBERS: | 
| 1299 |  | { | 
| 1300 |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t61 = _t; | 
| 1301 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST_in = _t; | 
| 1301 | > | ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST_in = _t; | 
| 1302 |  | match(_t,MEMBERS); | 
| 1303 |  | _t = _t->getFirstChild(); | 
| 1304 |  | ivec=inttuple(_t); | 
| 1306 |  | _t = __t61; | 
| 1307 |  | _t = _t->getNextSibling(); | 
| 1308 |  | #line 215 "MDTreeParser.g" | 
| 1309 | + | currRigidBodyStamp->setMembers(ivec); | 
| 1310 | + | #line 1311 "MDTreeParser.cpp" | 
| 1311 | + | break; | 
| 1312 | + | } | 
| 1313 | + | default: | 
| 1314 | + | { | 
| 1315 | + | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1316 | + | } | 
| 1317 | + | } | 
| 1318 | + | } | 
| 1319 | + | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1320 | + | reportError(ex); | 
| 1321 | + | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1322 | + | _t = _t->getNextSibling(); | 
| 1323 | + | } | 
| 1324 | + | _retTree = _t; | 
| 1325 | + | } | 
| 1326 | + |  | 
| 1327 | + | void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1328 | + | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1329 | + | #line 228 "MDTreeParser.g" | 
| 1330 | + |  | 
| 1331 | + | vector<int> ivec; | 
| 1332 | + | CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top()); | 
| 1333 | + |  | 
| 1334 | + | #line 1335 "MDTreeParser.cpp" | 
| 1335 | + |  | 
| 1336 | + | try {      // for error handling | 
| 1337 | + | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1338 | + | _t = ASTNULL; | 
| 1339 | + | switch ( _t->getType()) { | 
| 1340 | + | case ASSIGNEQUAL: | 
| 1341 | + | { | 
| 1342 | + | assignment(_t); | 
| 1343 | + | _t = _retTree; | 
| 1344 | + | break; | 
| 1345 | + | } | 
| 1346 | + | case MEMBERS: | 
| 1347 | + | { | 
| 1348 | + | ANTLR_USE_NAMESPACE(antlr)RefAST __t67 = _t; | 
| 1349 | + | ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST_in = _t; | 
| 1350 | + | match(_t,MEMBERS); | 
| 1351 | + | _t = _t->getFirstChild(); | 
| 1352 | + | ivec=inttuple(_t); | 
| 1353 | + | _t = _retTree; | 
| 1354 | + | _t = __t67; | 
| 1355 | + | _t = _t->getNextSibling(); | 
| 1356 | + | #line 234 "MDTreeParser.g" | 
| 1357 |  | currCutoffGroupStamp->setMembers(ivec); | 
| 1358 | < | #line 1321 "MDTreeParser.cpp" | 
| 1358 | > | #line 1359 "MDTreeParser.cpp" | 
| 1359 |  | break; | 
| 1360 |  | } | 
| 1361 |  | default: | 
| 1373 |  | } | 
| 1374 |  |  | 
| 1375 |  | void MDTreeParser::fragmentstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1376 | < | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1376 | > | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1377 |  |  | 
| 1378 |  | try {      // for error handling | 
| 1379 |  | assignment(_t); | 
| 1387 |  | _retTree = _t; | 
| 1388 |  | } | 
| 1389 |  |  | 
| 1390 | < | double  MDTreeParser::signedNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1391 | < | #line 256 "MDTreeParser.g" | 
| 1392 | < | double dval; | 
| 1393 | < | #line 1356 "MDTreeParser.cpp" | 
| 1394 | < | ANTLR_USE_NAMESPACE(antlr)RefAST signedNumber_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1357 | < | ANTLR_USE_NAMESPACE(antlr)RefAST icMinus = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1358 | < | ANTLR_USE_NAMESPACE(antlr)RefAST fcMinus = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1390 | > | RealType  MDTreeParser::doubleNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1391 | > | #line 274 "MDTreeParser.g" | 
| 1392 | > | RealType dval; | 
| 1393 | > | #line 1394 "MDTreeParser.cpp" | 
| 1394 | > | ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumber_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1395 |  | ANTLR_USE_NAMESPACE(antlr)RefAST ic = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1396 |  | ANTLR_USE_NAMESPACE(antlr)RefAST fc = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1397 |  |  | 
| 1399 |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1400 |  | _t = ASTNULL; | 
| 1401 |  | switch ( _t->getType()) { | 
| 1402 | < | case MINUS: | 
| 1402 | > | case NUM_INT: | 
| 1403 | > | case NUM_LONG: | 
| 1404 |  | { | 
| 1405 | < | ANTLR_USE_NAMESPACE(antlr)RefAST __t75 = _t; | 
| 1406 | < | ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST_in = _t; | 
| 1407 | < | match(_t,MINUS); | 
| 1408 | < | _t = _t->getFirstChild(); | 
| 1409 | < | { | 
| 1410 | < | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1374 | < | _t = ASTNULL; | 
| 1375 | < | switch ( _t->getType()) { | 
| 1376 | < | case OCTALINT: | 
| 1377 | < | case DECIMALINT: | 
| 1378 | < | case HEXADECIMALINT: | 
| 1379 | < | { | 
| 1380 | < | icMinus = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1381 | < | intConst(_t); | 
| 1382 | < | _t = _retTree; | 
| 1383 | < | #line 257 "MDTreeParser.g" | 
| 1384 | < | dval = lexi_cast<double>(icMinus->getText()); dval = -dval; | 
| 1385 | < | #line 1386 "MDTreeParser.cpp" | 
| 1386 | < | break; | 
| 1387 | < | } | 
| 1388 | < | case FLOATONE: | 
| 1389 | < | case FLOATTWO: | 
| 1390 | < | { | 
| 1391 | < | fcMinus = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1392 | < | floatConst(_t); | 
| 1393 | < | _t = _retTree; | 
| 1394 | < | break; | 
| 1395 | < | } | 
| 1396 | < | default: | 
| 1397 | < | { | 
| 1398 | < | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1399 | < | } | 
| 1400 | < | } | 
| 1401 | < | } | 
| 1402 | < | #line 258 "MDTreeParser.g" | 
| 1403 | < | dval = lexi_cast<double>(fcMinus->getText());dval = -dval; | 
| 1404 | < | #line 1405 "MDTreeParser.cpp" | 
| 1405 | < | _t = __t75; | 
| 1406 | < | _t = _t->getNextSibling(); | 
| 1405 | > | ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1406 | > | intConst(_t); | 
| 1407 | > | _t = _retTree; | 
| 1408 | > | #line 276 "MDTreeParser.g" | 
| 1409 | > | dval = lexi_cast<RealType>(ic->getText()); | 
| 1410 | > | #line 1411 "MDTreeParser.cpp" | 
| 1411 |  | break; | 
| 1412 |  | } | 
| 1413 | < | case OCTALINT: | 
| 1414 | < | case DECIMALINT: | 
| 1411 | < | case HEXADECIMALINT: | 
| 1412 | < | case FLOATONE: | 
| 1413 | < | case FLOATTWO: | 
| 1413 | > | case NUM_FLOAT: | 
| 1414 | > | case NUM_DOUBLE: | 
| 1415 |  | { | 
| 1416 | < | { | 
| 1417 | < | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1418 | < | _t = ASTNULL; | 
| 1419 | < | switch ( _t->getType()) { | 
| 1420 | < | case OCTALINT: | 
| 1421 | < | case DECIMALINT: | 
| 1421 | < | case HEXADECIMALINT: | 
| 1422 | < | { | 
| 1423 | < | ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1424 | < | intConst(_t); | 
| 1425 | < | _t = _retTree; | 
| 1426 | < | #line 260 "MDTreeParser.g" | 
| 1427 | < | dval = lexi_cast<double>(ic->getText()); | 
| 1428 | < | #line 1429 "MDTreeParser.cpp" | 
| 1429 | < | break; | 
| 1430 | < | } | 
| 1431 | < | case FLOATONE: | 
| 1432 | < | case FLOATTWO: | 
| 1433 | < | { | 
| 1434 | < | fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1435 | < | floatConst(_t); | 
| 1436 | < | _t = _retTree; | 
| 1437 | < | #line 261 "MDTreeParser.g" | 
| 1438 | < | dval = lexi_cast<double>(fc->getText()); | 
| 1439 | < | #line 1440 "MDTreeParser.cpp" | 
| 1440 | < | break; | 
| 1441 | < | } | 
| 1442 | < | default: | 
| 1443 | < | { | 
| 1444 | < | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1445 | < | } | 
| 1446 | < | } | 
| 1447 | < | } | 
| 1416 | > | fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1417 | > | floatConst(_t); | 
| 1418 | > | _t = _retTree; | 
| 1419 | > | #line 277 "MDTreeParser.g" | 
| 1420 | > | dval = lexi_cast<RealType>(fc->getText()); | 
| 1421 | > | #line 1422 "MDTreeParser.cpp" | 
| 1422 |  | break; | 
| 1423 |  | } | 
| 1424 |  | default: | 
| 1447 |  | "\"component\"", | 
| 1448 |  | "\"molecule\"", | 
| 1449 |  | "\"zconstraint\"", | 
| 1450 | + | "\"restraint\"", | 
| 1451 |  | "\"atom\"", | 
| 1452 |  | "\"bond\"", | 
| 1453 |  | "\"bend\"", | 
| 1454 |  | "\"torsion\"", | 
| 1455 | + | "\"inversion\"", | 
| 1456 |  | "\"rigidBody\"", | 
| 1457 |  | "\"cutoffGroup\"", | 
| 1458 |  | "\"fragment\"", | 
| 1459 |  | "\"members\"", | 
| 1460 | + | "\"center\"", | 
| 1461 |  | "\"position\"", | 
| 1462 |  | "\"orientation\"", | 
| 1463 |  | "ENDBLOCK", | 
| 1472 |  | "LPAREN", | 
| 1473 |  | "RPAREN", | 
| 1474 |  | "COMMA", | 
| 1475 | < | "OCTALINT", | 
| 1476 | < | "DECIMALINT", | 
| 1477 | < | "HEXADECIMALINT", | 
| 1478 | < | "PLUS", | 
| 1502 | < | "MINUS", | 
| 1503 | < | "FLOATONE", | 
| 1504 | < | "FLOATTWO", | 
| 1475 | > | "NUM_INT", | 
| 1476 | > | "NUM_LONG", | 
| 1477 | > | "NUM_FLOAT", | 
| 1478 | > | "NUM_DOUBLE", | 
| 1479 |  | "DOT", | 
| 1480 |  | "COLON", | 
| 1481 |  | "QUESTIONMARK", | 
| 1488 |  | "CharLiteral", | 
| 1489 |  | "EndOfLine", | 
| 1490 |  | "Escape", | 
| 1491 | + | "Vocabulary", | 
| 1492 |  | "Digit", | 
| 1493 |  | "Decimal", | 
| 1494 | < | "LongSuffix", | 
| 1495 | < | "UnsignedSuffix", | 
| 1496 | < | "FloatSuffix", | 
| 1522 | < | "Exponent", | 
| 1523 | < | "Vocabulary", | 
| 1524 | < | "Number", | 
| 1494 | > | "HEX_DIGIT", | 
| 1495 | > | "EXPONENT", | 
| 1496 | > | "FLOAT_SUFFIX", | 
| 1497 |  | 0 | 
| 1498 |  | }; | 
| 1499 |  |  | 
| 1500 | < | const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 524400UL, 0UL, 0UL, 0UL }; | 
| 1501 | < | // "component" "molecule" "zconstraint" ASSIGNEQUAL | 
| 1500 | > | const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 4194544UL, 0UL, 0UL, 0UL }; | 
| 1501 | > | // "component" "molecule" "zconstraint" "restraint" ASSIGNEQUAL | 
| 1502 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 1503 | < | const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 540544UL, 0UL, 0UL, 0UL }; | 
| 1504 | < | // "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" | 
| 1505 | < | // ASSIGNEQUAL | 
| 1503 | > | const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 4259584UL, 0UL, 0UL, 0UL }; | 
| 1504 | > | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1505 | > | // "fragment" ASSIGNEQUAL | 
| 1506 |  | const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 1535 | – | const unsigned long MDTreeParser::_tokenSet_2_data_[] = { 3758096384UL, 14UL, 0UL, 0UL }; | 
| 1536 | – | // OCTALINT DECIMALINT HEXADECIMALINT MINUS FLOATONE FLOATTWO | 
| 1537 | – | const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_2(_tokenSet_2_data_,4); | 
| 1507 |  |  | 
| 1508 |  |  |