| 1 | gezelter | 1902 | /* $ANTLR 2.7.7 (20121118): "MDTreeParser.g" -> "MDTreeParser.cpp"$ */ | 
| 2 | tim | 770 | #include "MDTreeParser.hpp" | 
| 3 |  |  | #include <antlr/Token.hpp> | 
| 4 |  |  | #include <antlr/AST.hpp> | 
| 5 |  |  | #include <antlr/NoViableAltException.hpp> | 
| 6 |  |  | #include <antlr/MismatchedTokenException.hpp> | 
| 7 |  |  | #include <antlr/SemanticException.hpp> | 
| 8 |  |  | #include <antlr/BitSet.hpp> | 
| 9 |  |  | #line 1 "MDTreeParser.g" | 
| 10 |  |  | #line 11 "MDTreeParser.cpp" | 
| 11 |  |  | MDTreeParser::MDTreeParser() | 
| 12 |  |  | : ANTLR_USE_NAMESPACE(antlr)TreeParser() { | 
| 13 |  |  | } | 
| 14 |  |  |  | 
| 15 |  |  | void MDTreeParser::mdfile(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 16 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST mdfile_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 17 | tim | 770 |  | 
| 18 |  |  | try {      // for error handling | 
| 19 |  |  | { // ( ... )* | 
| 20 |  |  | for (;;) { | 
| 21 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 22 |  |  | _t = ASTNULL; | 
| 23 |  |  | if ((_tokenSet_0.member(_t->getType()))) { | 
| 24 |  |  | statement(_t); | 
| 25 |  |  | _t = _retTree; | 
| 26 |  |  | } | 
| 27 |  |  | else { | 
| 28 |  |  | goto _loop3; | 
| 29 |  |  | } | 
| 30 |  |  |  | 
| 31 |  |  | } | 
| 32 |  |  | _loop3:; | 
| 33 |  |  | } // ( ... )* | 
| 34 |  |  | #line 34 "MDTreeParser.g" | 
| 35 |  |  | blockStack.top()->validate(); blockStack.pop(); | 
| 36 |  |  | #line 37 "MDTreeParser.cpp" | 
| 37 |  |  | } | 
| 38 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 39 |  |  | reportError(ex); | 
| 40 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 41 |  |  | _t = _t->getNextSibling(); | 
| 42 |  |  | } | 
| 43 |  |  | _retTree = _t; | 
| 44 |  |  | } | 
| 45 |  |  |  | 
| 46 |  |  | void MDTreeParser::statement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 47 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST statement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 48 | tim | 770 |  | 
| 49 |  |  | try {      // for error handling | 
| 50 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 51 |  |  | _t = ASTNULL; | 
| 52 |  |  | switch ( _t->getType()) { | 
| 53 |  |  | case ASSIGNEQUAL: | 
| 54 |  |  | { | 
| 55 |  |  | assignment(_t); | 
| 56 |  |  | _t = _retTree; | 
| 57 |  |  | break; | 
| 58 |  |  | } | 
| 59 |  |  | case COMPONENT: | 
| 60 |  |  | { | 
| 61 |  |  | componentblock(_t); | 
| 62 |  |  | _t = _retTree; | 
| 63 |  |  | break; | 
| 64 |  |  | } | 
| 65 |  |  | case MOLECULE: | 
| 66 |  |  | { | 
| 67 |  |  | moleculeblock(_t); | 
| 68 |  |  | _t = _retTree; | 
| 69 |  |  | break; | 
| 70 |  |  | } | 
| 71 |  |  | case ZCONSTRAINT: | 
| 72 |  |  | { | 
| 73 |  |  | zconstraintblock(_t); | 
| 74 |  |  | _t = _retTree; | 
| 75 |  |  | break; | 
| 76 |  |  | } | 
| 77 | cli2 | 1360 | case RESTRAINT: | 
| 78 |  |  | { | 
| 79 |  |  | restraintblock(_t); | 
| 80 |  |  | _t = _retTree; | 
| 81 |  |  | break; | 
| 82 |  |  | } | 
| 83 | gezelter | 1782 | case FLUCQ: | 
| 84 |  |  | { | 
| 85 |  |  | flucqblock(_t); | 
| 86 |  |  | _t = _retTree; | 
| 87 |  |  | break; | 
| 88 |  |  | } | 
| 89 |  |  | case RNEMD: | 
| 90 |  |  | { | 
| 91 |  |  | rnemdblock(_t); | 
| 92 |  |  | _t = _retTree; | 
| 93 |  |  | break; | 
| 94 |  |  | } | 
| 95 |  |  | case MINIMIZER: | 
| 96 |  |  | { | 
| 97 |  |  | minimizerblock(_t); | 
| 98 |  |  | _t = _retTree; | 
| 99 |  |  | break; | 
| 100 |  |  | } | 
| 101 | tim | 770 | default: | 
| 102 |  |  | { | 
| 103 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 104 |  |  | } | 
| 105 |  |  | } | 
| 106 |  |  | } | 
| 107 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 108 |  |  | reportError(ex); | 
| 109 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 110 |  |  | _t = _t->getNextSibling(); | 
| 111 |  |  | } | 
| 112 |  |  | _retTree = _t; | 
| 113 |  |  | } | 
| 114 |  |  |  | 
| 115 |  |  | void MDTreeParser::assignment(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 116 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST assignment_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 117 | tim | 770 | ANTLR_USE_NAMESPACE(antlr)RefAST id = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 118 |  |  |  | 
| 119 |  |  | try {      // for error handling | 
| 120 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t6 = _t; | 
| 121 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp1_AST_in = _t; | 
| 122 |  |  | match(_t,ASSIGNEQUAL); | 
| 123 |  |  | _t = _t->getFirstChild(); | 
| 124 |  |  | id = _t; | 
| 125 |  |  | match(_t,ID); | 
| 126 |  |  | _t = _t->getNextSibling(); | 
| 127 |  |  | constant(_t,id); | 
| 128 |  |  | _t = _retTree; | 
| 129 |  |  | _t = __t6; | 
| 130 |  |  | _t = _t->getNextSibling(); | 
| 131 |  |  | } | 
| 132 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 133 |  |  | reportError(ex); | 
| 134 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 135 |  |  | _t = _t->getNextSibling(); | 
| 136 |  |  | } | 
| 137 |  |  | _retTree = _t; | 
| 138 |  |  | } | 
| 139 |  |  |  | 
| 140 |  |  | void MDTreeParser::componentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 141 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST componentblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 142 | tim | 770 |  | 
| 143 |  |  | try {      // for error handling | 
| 144 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t10 = _t; | 
| 145 | tim | 770 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp2_AST_in = _t; | 
| 146 |  |  | match(_t,COMPONENT); | 
| 147 |  |  | _t = _t->getFirstChild(); | 
| 148 | gezelter | 1782 | #line 72 "MDTreeParser.g" | 
| 149 | tim | 770 | Component* currComponet = new Component(); blockStack.push(currComponet); | 
| 150 | gezelter | 1782 | #line 151 "MDTreeParser.cpp" | 
| 151 | tim | 770 | { // ( ... )* | 
| 152 |  |  | for (;;) { | 
| 153 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 154 |  |  | _t = ASTNULL; | 
| 155 |  |  | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 156 |  |  | assignment(_t); | 
| 157 |  |  | _t = _retTree; | 
| 158 |  |  | } | 
| 159 |  |  | else { | 
| 160 | gezelter | 1782 | goto _loop12; | 
| 161 | tim | 770 | } | 
| 162 |  |  |  | 
| 163 |  |  | } | 
| 164 | gezelter | 1782 | _loop12:; | 
| 165 | tim | 770 | } // ( ... )* | 
| 166 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp3_AST_in = _t; | 
| 167 |  |  | match(_t,ENDBLOCK); | 
| 168 |  |  | _t = _t->getNextSibling(); | 
| 169 | gezelter | 1782 | _t = __t10; | 
| 170 | tim | 770 | _t = _t->getNextSibling(); | 
| 171 | gezelter | 1782 | #line 74 "MDTreeParser.g" | 
| 172 | tim | 770 | blockStack.top()->validate();blockStack.pop(); currConf->addComponent(currComponet); | 
| 173 | gezelter | 1782 | #line 174 "MDTreeParser.cpp" | 
| 174 | tim | 770 | } | 
| 175 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 176 |  |  | reportError(ex); | 
| 177 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 178 |  |  | _t = _t->getNextSibling(); | 
| 179 |  |  | } | 
| 180 |  |  | _retTree = _t; | 
| 181 |  |  | } | 
| 182 |  |  |  | 
| 183 |  |  | void MDTreeParser::moleculeblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 184 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST moleculeblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 185 | tim | 770 |  | 
| 186 |  |  | try {      // for error handling | 
| 187 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t34 = _t; | 
| 188 | tim | 770 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp4_AST_in = _t; | 
| 189 |  |  | match(_t,MOLECULE); | 
| 190 |  |  | _t = _t->getFirstChild(); | 
| 191 | gezelter | 1782 | #line 103 "MDTreeParser.g" | 
| 192 | tim | 770 | MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp); | 
| 193 | gezelter | 1782 | #line 194 "MDTreeParser.cpp" | 
| 194 | tim | 770 | { // ( ... )* | 
| 195 |  |  | for (;;) { | 
| 196 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 197 |  |  | _t = ASTNULL; | 
| 198 |  |  | if ((_tokenSet_1.member(_t->getType()))) { | 
| 199 |  |  | moleculestatement(_t); | 
| 200 |  |  | _t = _retTree; | 
| 201 |  |  | } | 
| 202 |  |  | else { | 
| 203 | gezelter | 1782 | goto _loop36; | 
| 204 | tim | 770 | } | 
| 205 |  |  |  | 
| 206 |  |  | } | 
| 207 | gezelter | 1782 | _loop36:; | 
| 208 | tim | 770 | } // ( ... )* | 
| 209 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp5_AST_in = _t; | 
| 210 |  |  | match(_t,ENDBLOCK); | 
| 211 |  |  | _t = _t->getNextSibling(); | 
| 212 | gezelter | 1782 | _t = __t34; | 
| 213 | tim | 770 | _t = _t->getNextSibling(); | 
| 214 | gezelter | 1782 | #line 105 "MDTreeParser.g" | 
| 215 | tim | 770 | blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp); | 
| 216 | gezelter | 1782 | #line 217 "MDTreeParser.cpp" | 
| 217 | tim | 770 | } | 
| 218 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 219 |  |  | reportError(ex); | 
| 220 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 221 |  |  | _t = _t->getNextSibling(); | 
| 222 |  |  | } | 
| 223 |  |  | _retTree = _t; | 
| 224 |  |  | } | 
| 225 |  |  |  | 
| 226 |  |  | void MDTreeParser::zconstraintblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 227 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST zconstraintblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 228 | tim | 770 |  | 
| 229 |  |  | try {      // for error handling | 
| 230 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t14 = _t; | 
| 231 | tim | 770 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp6_AST_in = _t; | 
| 232 |  |  | match(_t,ZCONSTRAINT); | 
| 233 |  |  | _t = _t->getFirstChild(); | 
| 234 | gezelter | 1782 | #line 77 "MDTreeParser.g" | 
| 235 | tim | 770 | ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp); | 
| 236 | gezelter | 1782 | #line 237 "MDTreeParser.cpp" | 
| 237 | tim | 770 | { // ( ... )* | 
| 238 |  |  | for (;;) { | 
| 239 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 240 |  |  | _t = ASTNULL; | 
| 241 |  |  | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 242 |  |  | assignment(_t); | 
| 243 |  |  | _t = _retTree; | 
| 244 |  |  | } | 
| 245 |  |  | else { | 
| 246 | gezelter | 1782 | goto _loop16; | 
| 247 | tim | 770 | } | 
| 248 |  |  |  | 
| 249 |  |  | } | 
| 250 | gezelter | 1782 | _loop16:; | 
| 251 | tim | 770 | } // ( ... )* | 
| 252 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp7_AST_in = _t; | 
| 253 |  |  | match(_t,ENDBLOCK); | 
| 254 |  |  | _t = _t->getNextSibling(); | 
| 255 | gezelter | 1782 | _t = __t14; | 
| 256 | tim | 770 | _t = _t->getNextSibling(); | 
| 257 | gezelter | 1782 | #line 79 "MDTreeParser.g" | 
| 258 | tim | 770 | blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp); | 
| 259 | gezelter | 1782 | #line 260 "MDTreeParser.cpp" | 
| 260 | tim | 770 | } | 
| 261 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 262 |  |  | reportError(ex); | 
| 263 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 264 |  |  | _t = _t->getNextSibling(); | 
| 265 |  |  | } | 
| 266 |  |  | _retTree = _t; | 
| 267 |  |  | } | 
| 268 |  |  |  | 
| 269 | cli2 | 1360 | void MDTreeParser::restraintblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 270 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST restraintblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 271 |  |  |  | 
| 272 |  |  | try {      // for error handling | 
| 273 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t18 = _t; | 
| 274 | cli2 | 1360 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp8_AST_in = _t; | 
| 275 |  |  | match(_t,RESTRAINT); | 
| 276 |  |  | _t = _t->getFirstChild(); | 
| 277 | gezelter | 1782 | #line 82 "MDTreeParser.g" | 
| 278 | cli2 | 1360 | RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp); | 
| 279 | gezelter | 1782 | #line 280 "MDTreeParser.cpp" | 
| 280 | cli2 | 1360 | { // ( ... )* | 
| 281 |  |  | for (;;) { | 
| 282 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 283 |  |  | _t = ASTNULL; | 
| 284 |  |  | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 285 |  |  | assignment(_t); | 
| 286 |  |  | _t = _retTree; | 
| 287 |  |  | } | 
| 288 |  |  | else { | 
| 289 | gezelter | 1782 | goto _loop20; | 
| 290 | cli2 | 1360 | } | 
| 291 |  |  |  | 
| 292 |  |  | } | 
| 293 | gezelter | 1782 | _loop20:; | 
| 294 | cli2 | 1360 | } // ( ... )* | 
| 295 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST_in = _t; | 
| 296 |  |  | match(_t,ENDBLOCK); | 
| 297 |  |  | _t = _t->getNextSibling(); | 
| 298 | gezelter | 1782 | _t = __t18; | 
| 299 | cli2 | 1360 | _t = _t->getNextSibling(); | 
| 300 | gezelter | 1782 | #line 84 "MDTreeParser.g" | 
| 301 | cli2 | 1360 | blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp); | 
| 302 | gezelter | 1782 | #line 303 "MDTreeParser.cpp" | 
| 303 | cli2 | 1360 | } | 
| 304 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 305 |  |  | reportError(ex); | 
| 306 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 307 |  |  | _t = _t->getNextSibling(); | 
| 308 |  |  | } | 
| 309 |  |  | _retTree = _t; | 
| 310 |  |  | } | 
| 311 |  |  |  | 
| 312 | gezelter | 1782 | void MDTreeParser::flucqblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 313 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST flucqblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 314 |  |  |  | 
| 315 |  |  | try {      // for error handling | 
| 316 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t22 = _t; | 
| 317 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp10_AST_in = _t; | 
| 318 |  |  | match(_t,FLUCQ); | 
| 319 |  |  | _t = _t->getFirstChild(); | 
| 320 |  |  | #line 87 "MDTreeParser.g" | 
| 321 |  |  | FluctuatingChargeParameters* flucQpars = new FluctuatingChargeParameters(); blockStack.push(flucQpars); | 
| 322 |  |  | #line 323 "MDTreeParser.cpp" | 
| 323 |  |  | { // ( ... )* | 
| 324 |  |  | for (;;) { | 
| 325 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 326 |  |  | _t = ASTNULL; | 
| 327 |  |  | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 328 |  |  | assignment(_t); | 
| 329 |  |  | _t = _retTree; | 
| 330 |  |  | } | 
| 331 |  |  | else { | 
| 332 |  |  | goto _loop24; | 
| 333 |  |  | } | 
| 334 |  |  |  | 
| 335 |  |  | } | 
| 336 |  |  | _loop24:; | 
| 337 |  |  | } // ( ... )* | 
| 338 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp11_AST_in = _t; | 
| 339 |  |  | match(_t,ENDBLOCK); | 
| 340 |  |  | _t = _t->getNextSibling(); | 
| 341 |  |  | _t = __t22; | 
| 342 |  |  | _t = _t->getNextSibling(); | 
| 343 |  |  | #line 89 "MDTreeParser.g" | 
| 344 |  |  | blockStack.top()->validate();blockStack.pop(); currConf->addFluctuatingChargeParameters(flucQpars); | 
| 345 |  |  | #line 346 "MDTreeParser.cpp" | 
| 346 |  |  | } | 
| 347 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 348 |  |  | reportError(ex); | 
| 349 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 350 |  |  | _t = _t->getNextSibling(); | 
| 351 |  |  | } | 
| 352 |  |  | _retTree = _t; | 
| 353 |  |  | } | 
| 354 |  |  |  | 
| 355 |  |  | void MDTreeParser::rnemdblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 356 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST rnemdblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 357 |  |  |  | 
| 358 |  |  | try {      // for error handling | 
| 359 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t26 = _t; | 
| 360 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp12_AST_in = _t; | 
| 361 |  |  | match(_t,RNEMD); | 
| 362 |  |  | _t = _t->getFirstChild(); | 
| 363 |  |  | #line 92 "MDTreeParser.g" | 
| 364 |  |  | RNEMDParameters* rnemdPars = new RNEMDParameters(); blockStack.push(rnemdPars); | 
| 365 |  |  | #line 366 "MDTreeParser.cpp" | 
| 366 |  |  | { // ( ... )* | 
| 367 |  |  | for (;;) { | 
| 368 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 369 |  |  | _t = ASTNULL; | 
| 370 |  |  | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 371 |  |  | assignment(_t); | 
| 372 |  |  | _t = _retTree; | 
| 373 |  |  | } | 
| 374 |  |  | else { | 
| 375 |  |  | goto _loop28; | 
| 376 |  |  | } | 
| 377 |  |  |  | 
| 378 |  |  | } | 
| 379 |  |  | _loop28:; | 
| 380 |  |  | } // ( ... )* | 
| 381 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST_in = _t; | 
| 382 |  |  | match(_t,ENDBLOCK); | 
| 383 |  |  | _t = _t->getNextSibling(); | 
| 384 |  |  | _t = __t26; | 
| 385 |  |  | _t = _t->getNextSibling(); | 
| 386 |  |  | #line 94 "MDTreeParser.g" | 
| 387 |  |  | blockStack.top()->validate();blockStack.pop(); currConf->addRNEMDParameters(rnemdPars); | 
| 388 |  |  | #line 389 "MDTreeParser.cpp" | 
| 389 |  |  | } | 
| 390 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 391 |  |  | reportError(ex); | 
| 392 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 393 |  |  | _t = _t->getNextSibling(); | 
| 394 |  |  | } | 
| 395 |  |  | _retTree = _t; | 
| 396 |  |  | } | 
| 397 |  |  |  | 
| 398 |  |  | void MDTreeParser::minimizerblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 399 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST minimizerblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 400 |  |  |  | 
| 401 |  |  | try {      // for error handling | 
| 402 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t30 = _t; | 
| 403 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST_in = _t; | 
| 404 |  |  | match(_t,MINIMIZER); | 
| 405 |  |  | _t = _t->getFirstChild(); | 
| 406 |  |  | #line 97 "MDTreeParser.g" | 
| 407 |  |  | MinimizerParameters* minimizerPars = new MinimizerParameters(); blockStack.push(minimizerPars); | 
| 408 |  |  | #line 409 "MDTreeParser.cpp" | 
| 409 |  |  | { // ( ... )* | 
| 410 |  |  | for (;;) { | 
| 411 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 412 |  |  | _t = ASTNULL; | 
| 413 |  |  | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 414 |  |  | assignment(_t); | 
| 415 |  |  | _t = _retTree; | 
| 416 |  |  | } | 
| 417 |  |  | else { | 
| 418 |  |  | goto _loop32; | 
| 419 |  |  | } | 
| 420 |  |  |  | 
| 421 |  |  | } | 
| 422 |  |  | _loop32:; | 
| 423 |  |  | } // ( ... )* | 
| 424 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST_in = _t; | 
| 425 |  |  | match(_t,ENDBLOCK); | 
| 426 |  |  | _t = _t->getNextSibling(); | 
| 427 |  |  | _t = __t30; | 
| 428 |  |  | _t = _t->getNextSibling(); | 
| 429 |  |  | #line 99 "MDTreeParser.g" | 
| 430 |  |  | blockStack.top()->validate();blockStack.pop(); currConf->addMinimizerParameters(minimizerPars); | 
| 431 |  |  | #line 432 "MDTreeParser.cpp" | 
| 432 |  |  | } | 
| 433 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 434 |  |  | reportError(ex); | 
| 435 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 436 |  |  | _t = _t->getNextSibling(); | 
| 437 |  |  | } | 
| 438 |  |  | _retTree = _t; | 
| 439 |  |  | } | 
| 440 |  |  |  | 
| 441 | tim | 770 | void MDTreeParser::constant(ANTLR_USE_NAMESPACE(antlr)RefAST _t, | 
| 442 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST id | 
| 443 |  |  | ) { | 
| 444 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST constant_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 445 | tim | 770 | ANTLR_USE_NAMESPACE(antlr)RefAST str1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 446 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST str2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 447 | gezelter | 1782 | #line 50 "MDTreeParser.g" | 
| 448 | tim | 770 |  | 
| 449 | tim | 814 | int ival; | 
| 450 | gezelter | 1782 | RealType dval, x, y, z; | 
| 451 |  |  | Vector3d dvec; | 
| 452 | tim | 814 |  | 
| 453 | gezelter | 1782 | #line 454 "MDTreeParser.cpp" | 
| 454 | tim | 814 |  | 
| 455 | tim | 770 | try {      // for error handling | 
| 456 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 457 |  |  | _t = ASTNULL; | 
| 458 |  |  | switch ( _t->getType()) { | 
| 459 | tim | 814 | case NUM_INT: | 
| 460 |  |  | case NUM_LONG: | 
| 461 | tim | 770 | { | 
| 462 | tim | 814 | ival=intConst(_t); | 
| 463 | tim | 770 | _t = _retTree; | 
| 464 | gezelter | 1782 | #line 56 "MDTreeParser.g" | 
| 465 | tim | 814 | blockStack.top()->assign(id->getText(), ival); | 
| 466 | gezelter | 1782 | #line 467 "MDTreeParser.cpp" | 
| 467 | tim | 770 | break; | 
| 468 |  |  | } | 
| 469 | tim | 814 | case NUM_FLOAT: | 
| 470 |  |  | case NUM_DOUBLE: | 
| 471 |  |  | { | 
| 472 |  |  | dval=floatConst(_t); | 
| 473 |  |  | _t = _retTree; | 
| 474 | gezelter | 1782 | #line 57 "MDTreeParser.g" | 
| 475 | tim | 814 | blockStack.top()->assign(id->getText(), dval); | 
| 476 | gezelter | 1782 | #line 477 "MDTreeParser.cpp" | 
| 477 | tim | 814 | break; | 
| 478 |  |  | } | 
| 479 | gezelter | 1782 | case LPAREN: | 
| 480 |  |  | { | 
| 481 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t8 = _t; | 
| 482 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST_in = _t; | 
| 483 |  |  | match(_t,LPAREN); | 
| 484 |  |  | _t = _t->getFirstChild(); | 
| 485 |  |  | x=doubleNumber(_t); | 
| 486 |  |  | _t = _retTree; | 
| 487 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST_in = _t; | 
| 488 |  |  | match(_t,COMMA); | 
| 489 |  |  | _t = _t->getNextSibling(); | 
| 490 |  |  | y=doubleNumber(_t); | 
| 491 |  |  | _t = _retTree; | 
| 492 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST_in = _t; | 
| 493 |  |  | match(_t,COMMA); | 
| 494 |  |  | _t = _t->getNextSibling(); | 
| 495 |  |  | z=doubleNumber(_t); | 
| 496 |  |  | _t = _retTree; | 
| 497 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST_in = _t; | 
| 498 |  |  | match(_t,RPAREN); | 
| 499 |  |  | _t = _t->getNextSibling(); | 
| 500 |  |  | _t = __t8; | 
| 501 |  |  | _t = _t->getNextSibling(); | 
| 502 |  |  | #line 59 "MDTreeParser.g" | 
| 503 |  |  | dvec.x() = x; | 
| 504 |  |  | dvec.y() = y; | 
| 505 |  |  | dvec.z() = z; | 
| 506 |  |  | blockStack.top()->assign(id->getText(), dvec); | 
| 507 |  |  |  | 
| 508 |  |  | #line 509 "MDTreeParser.cpp" | 
| 509 |  |  | break; | 
| 510 |  |  | } | 
| 511 | tim | 770 | case ID: | 
| 512 |  |  | { | 
| 513 |  |  | str1 = _t; | 
| 514 |  |  | match(_t,ID); | 
| 515 |  |  | _t = _t->getNextSibling(); | 
| 516 | gezelter | 1782 | #line 64 "MDTreeParser.g" | 
| 517 | tim | 770 | blockStack.top()->assign(id->getText(), str1->getText()); | 
| 518 | gezelter | 1782 | #line 519 "MDTreeParser.cpp" | 
| 519 | tim | 770 | break; | 
| 520 |  |  | } | 
| 521 |  |  | case StringLiteral: | 
| 522 |  |  | { | 
| 523 |  |  | str2 = _t; | 
| 524 |  |  | match(_t,StringLiteral); | 
| 525 |  |  | _t = _t->getNextSibling(); | 
| 526 | gezelter | 1782 | #line 65 "MDTreeParser.g" | 
| 527 | tim | 770 | std::string s =  str2->getText(); | 
| 528 |  |  | s = s.substr(1, s.length()-2); | 
| 529 |  |  | blockStack.top()->assign(id->getText(),s); | 
| 530 |  |  |  | 
| 531 | gezelter | 1782 | #line 532 "MDTreeParser.cpp" | 
| 532 | tim | 770 | break; | 
| 533 |  |  | } | 
| 534 |  |  | default: | 
| 535 |  |  | { | 
| 536 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 537 |  |  | } | 
| 538 |  |  | } | 
| 539 |  |  | } | 
| 540 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 541 |  |  | reportError(ex); | 
| 542 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 543 |  |  | _t = _t->getNextSibling(); | 
| 544 |  |  | } | 
| 545 |  |  | _retTree = _t; | 
| 546 |  |  | } | 
| 547 |  |  |  | 
| 548 |  |  | int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 549 | gezelter | 1902 | #line 296 "MDTreeParser.g" | 
| 550 | tim | 770 | int ival; | 
| 551 | gezelter | 1782 | #line 552 "MDTreeParser.cpp" | 
| 552 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 553 | tim | 814 | ANTLR_USE_NAMESPACE(antlr)RefAST i1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 554 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST i2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 555 | tim | 770 |  | 
| 556 |  |  | try {      // for error handling | 
| 557 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 558 |  |  | _t = ASTNULL; | 
| 559 |  |  | switch ( _t->getType()) { | 
| 560 | tim | 814 | case NUM_INT: | 
| 561 | tim | 770 | { | 
| 562 | tim | 814 | i1 = _t; | 
| 563 |  |  | match(_t,NUM_INT); | 
| 564 | tim | 770 | _t = _t->getNextSibling(); | 
| 565 | gezelter | 1902 | #line 297 "MDTreeParser.g" | 
| 566 | tim | 814 | ival = lexi_cast<int>(i1->getText()); | 
| 567 | gezelter | 1782 | #line 568 "MDTreeParser.cpp" | 
| 568 | tim | 770 | break; | 
| 569 |  |  | } | 
| 570 | tim | 814 | case NUM_LONG: | 
| 571 | tim | 770 | { | 
| 572 | tim | 814 | i2 = _t; | 
| 573 |  |  | match(_t,NUM_LONG); | 
| 574 | tim | 770 | _t = _t->getNextSibling(); | 
| 575 | gezelter | 1902 | #line 298 "MDTreeParser.g" | 
| 576 | tim | 814 | ival = lexi_cast<int>(i2->getText()); | 
| 577 | gezelter | 1782 | #line 578 "MDTreeParser.cpp" | 
| 578 | tim | 770 | break; | 
| 579 |  |  | } | 
| 580 |  |  | default: | 
| 581 |  |  | { | 
| 582 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 583 |  |  | } | 
| 584 |  |  | } | 
| 585 |  |  | } | 
| 586 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 587 |  |  | reportError(ex); | 
| 588 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 589 |  |  | _t = _t->getNextSibling(); | 
| 590 |  |  | } | 
| 591 |  |  | _retTree = _t; | 
| 592 |  |  | return ival; | 
| 593 |  |  | } | 
| 594 |  |  |  | 
| 595 | tim | 963 | RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 596 | gezelter | 1902 | #line 308 "MDTreeParser.g" | 
| 597 | tim | 963 | RealType dval; | 
| 598 | gezelter | 1782 | #line 599 "MDTreeParser.cpp" | 
| 599 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 600 | tim | 770 | ANTLR_USE_NAMESPACE(antlr)RefAST d1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 601 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST d2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 602 |  |  |  | 
| 603 |  |  | try {      // for error handling | 
| 604 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 605 |  |  | _t = ASTNULL; | 
| 606 |  |  | switch ( _t->getType()) { | 
| 607 | tim | 814 | case NUM_FLOAT: | 
| 608 | tim | 770 | { | 
| 609 |  |  | d1 = _t; | 
| 610 | tim | 814 | match(_t,NUM_FLOAT); | 
| 611 | tim | 770 | _t = _t->getNextSibling(); | 
| 612 | gezelter | 1902 | #line 309 "MDTreeParser.g" | 
| 613 | tim | 963 | dval = lexi_cast<RealType>(d1->getText()); | 
| 614 | gezelter | 1782 | #line 615 "MDTreeParser.cpp" | 
| 615 | tim | 770 | break; | 
| 616 |  |  | } | 
| 617 | tim | 814 | case NUM_DOUBLE: | 
| 618 | tim | 770 | { | 
| 619 |  |  | d2 = _t; | 
| 620 | tim | 814 | match(_t,NUM_DOUBLE); | 
| 621 | tim | 770 | _t = _t->getNextSibling(); | 
| 622 | gezelter | 1902 | #line 310 "MDTreeParser.g" | 
| 623 | tim | 963 | dval = lexi_cast<RealType>(d2->getText()); | 
| 624 | gezelter | 1782 | #line 625 "MDTreeParser.cpp" | 
| 625 | tim | 770 | break; | 
| 626 |  |  | } | 
| 627 |  |  | default: | 
| 628 |  |  | { | 
| 629 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 630 |  |  | } | 
| 631 |  |  | } | 
| 632 |  |  | } | 
| 633 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 634 |  |  | reportError(ex); | 
| 635 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 636 |  |  | _t = _t->getNextSibling(); | 
| 637 |  |  | } | 
| 638 |  |  | _retTree = _t; | 
| 639 |  |  | return dval; | 
| 640 |  |  | } | 
| 641 |  |  |  | 
| 642 | gezelter | 1782 | RealType  MDTreeParser::doubleNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 643 | gezelter | 1902 | #line 302 "MDTreeParser.g" | 
| 644 | gezelter | 1782 | RealType dval; | 
| 645 |  |  | #line 646 "MDTreeParser.cpp" | 
| 646 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumber_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 647 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST ic = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 648 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST fc = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 649 |  |  |  | 
| 650 |  |  | try {      // for error handling | 
| 651 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 652 |  |  | _t = ASTNULL; | 
| 653 |  |  | switch ( _t->getType()) { | 
| 654 |  |  | case NUM_INT: | 
| 655 |  |  | case NUM_LONG: | 
| 656 |  |  | { | 
| 657 |  |  | ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 658 |  |  | intConst(_t); | 
| 659 |  |  | _t = _retTree; | 
| 660 | gezelter | 1902 | #line 303 "MDTreeParser.g" | 
| 661 | gezelter | 1782 | dval = lexi_cast<RealType>(ic->getText()); | 
| 662 |  |  | #line 663 "MDTreeParser.cpp" | 
| 663 |  |  | break; | 
| 664 |  |  | } | 
| 665 |  |  | case NUM_FLOAT: | 
| 666 |  |  | case NUM_DOUBLE: | 
| 667 |  |  | { | 
| 668 |  |  | fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 669 |  |  | floatConst(_t); | 
| 670 |  |  | _t = _retTree; | 
| 671 | gezelter | 1902 | #line 304 "MDTreeParser.g" | 
| 672 | gezelter | 1782 | dval = lexi_cast<RealType>(fc->getText()); | 
| 673 |  |  | #line 674 "MDTreeParser.cpp" | 
| 674 |  |  | break; | 
| 675 |  |  | } | 
| 676 |  |  | default: | 
| 677 |  |  | { | 
| 678 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 679 |  |  | } | 
| 680 |  |  | } | 
| 681 |  |  | } | 
| 682 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 683 |  |  | reportError(ex); | 
| 684 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 685 |  |  | _t = _t->getNextSibling(); | 
| 686 |  |  | } | 
| 687 |  |  | _retTree = _t; | 
| 688 |  |  | return dval; | 
| 689 |  |  | } | 
| 690 |  |  |  | 
| 691 | tim | 770 | void MDTreeParser::moleculestatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 692 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST moleculestatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 693 | tim | 770 |  | 
| 694 |  |  | try {      // for error handling | 
| 695 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 696 |  |  | _t = ASTNULL; | 
| 697 |  |  | switch ( _t->getType()) { | 
| 698 |  |  | case ASSIGNEQUAL: | 
| 699 |  |  | { | 
| 700 |  |  | assignment(_t); | 
| 701 |  |  | _t = _retTree; | 
| 702 |  |  | break; | 
| 703 |  |  | } | 
| 704 |  |  | case ATOM: | 
| 705 |  |  | { | 
| 706 |  |  | atomblock(_t); | 
| 707 |  |  | _t = _retTree; | 
| 708 |  |  | break; | 
| 709 |  |  | } | 
| 710 |  |  | case BOND: | 
| 711 |  |  | { | 
| 712 |  |  | bondblock(_t); | 
| 713 |  |  | _t = _retTree; | 
| 714 |  |  | break; | 
| 715 |  |  | } | 
| 716 |  |  | case BEND: | 
| 717 |  |  | { | 
| 718 |  |  | bendblock(_t); | 
| 719 |  |  | _t = _retTree; | 
| 720 |  |  | break; | 
| 721 |  |  | } | 
| 722 |  |  | case TORSION: | 
| 723 |  |  | { | 
| 724 |  |  | torsionblock(_t); | 
| 725 |  |  | _t = _retTree; | 
| 726 |  |  | break; | 
| 727 |  |  | } | 
| 728 | cli2 | 1275 | case INVERSION: | 
| 729 |  |  | { | 
| 730 |  |  | inversionblock(_t); | 
| 731 |  |  | _t = _retTree; | 
| 732 |  |  | break; | 
| 733 |  |  | } | 
| 734 | tim | 770 | case RIGIDBODY: | 
| 735 |  |  | { | 
| 736 |  |  | rigidbodyblock(_t); | 
| 737 |  |  | _t = _retTree; | 
| 738 |  |  | break; | 
| 739 |  |  | } | 
| 740 |  |  | case CUTOFFGROUP: | 
| 741 |  |  | { | 
| 742 |  |  | cutoffgroupblock(_t); | 
| 743 |  |  | _t = _retTree; | 
| 744 |  |  | break; | 
| 745 |  |  | } | 
| 746 |  |  | case FRAGMENT: | 
| 747 |  |  | { | 
| 748 |  |  | fragmentblock(_t); | 
| 749 |  |  | _t = _retTree; | 
| 750 |  |  | break; | 
| 751 |  |  | } | 
| 752 |  |  | default: | 
| 753 |  |  | { | 
| 754 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 755 |  |  | } | 
| 756 |  |  | } | 
| 757 |  |  | } | 
| 758 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 759 |  |  | reportError(ex); | 
| 760 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 761 |  |  | _t = _t->getNextSibling(); | 
| 762 |  |  | } | 
| 763 |  |  | _retTree = _t; | 
| 764 |  |  | } | 
| 765 |  |  |  | 
| 766 |  |  | void MDTreeParser::atomblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 767 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 768 | gezelter | 1782 | #line 119 "MDTreeParser.g" | 
| 769 | tim | 770 |  | 
| 770 |  |  | int index; | 
| 771 |  |  |  | 
| 772 | gezelter | 1782 | #line 773 "MDTreeParser.cpp" | 
| 773 | tim | 770 |  | 
| 774 |  |  | try {      // for error handling | 
| 775 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t39 = _t; | 
| 776 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST_in = _t; | 
| 777 | tim | 770 | match(_t,ATOM); | 
| 778 |  |  | _t = _t->getFirstChild(); | 
| 779 |  |  | index=intConst(_t); | 
| 780 |  |  | _t = _retTree; | 
| 781 | gezelter | 1782 | #line 123 "MDTreeParser.g" | 
| 782 | tim | 770 | AtomStamp* currAtomStamp = new AtomStamp(index); blockStack.push(currAtomStamp); | 
| 783 | gezelter | 1782 | #line 784 "MDTreeParser.cpp" | 
| 784 | tim | 770 | { // ( ... )* | 
| 785 |  |  | for (;;) { | 
| 786 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 787 |  |  | _t = ASTNULL; | 
| 788 |  |  | if ((_t->getType() == POSITION || _t->getType() == ORIENTATION || _t->getType() == ASSIGNEQUAL)) { | 
| 789 |  |  | atomstatement(_t); | 
| 790 |  |  | _t = _retTree; | 
| 791 |  |  | } | 
| 792 |  |  | else { | 
| 793 | gezelter | 1782 | goto _loop41; | 
| 794 | tim | 770 | } | 
| 795 |  |  |  | 
| 796 |  |  | } | 
| 797 | gezelter | 1782 | _loop41:; | 
| 798 | tim | 770 | } // ( ... )* | 
| 799 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST_in = _t; | 
| 800 | tim | 770 | match(_t,ENDBLOCK); | 
| 801 |  |  | _t = _t->getNextSibling(); | 
| 802 | gezelter | 1782 | _t = __t39; | 
| 803 | tim | 770 | _t = _t->getNextSibling(); | 
| 804 | gezelter | 1782 | #line 125 "MDTreeParser.g" | 
| 805 | tim | 770 |  | 
| 806 |  |  | blockStack.top()->validate(); | 
| 807 |  |  | blockStack.pop(); | 
| 808 |  |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 809 |  |  | currMoleculeStamp->addAtomStamp(currAtomStamp); | 
| 810 |  |  |  | 
| 811 | gezelter | 1782 | #line 812 "MDTreeParser.cpp" | 
| 812 | tim | 770 | } | 
| 813 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 814 |  |  | reportError(ex); | 
| 815 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 816 |  |  | _t = _t->getNextSibling(); | 
| 817 |  |  | } | 
| 818 |  |  | _retTree = _t; | 
| 819 |  |  | } | 
| 820 |  |  |  | 
| 821 |  |  | void MDTreeParser::bondblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 822 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 823 | tim | 770 |  | 
| 824 |  |  | try {      // for error handling | 
| 825 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t46 = _t; | 
| 826 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST_in = _t; | 
| 827 | tim | 770 | match(_t,BOND); | 
| 828 |  |  | _t = _t->getFirstChild(); | 
| 829 | gezelter | 1782 | #line 145 "MDTreeParser.g" | 
| 830 | tim | 770 | BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp); | 
| 831 | gezelter | 1782 | #line 832 "MDTreeParser.cpp" | 
| 832 | tim | 770 | { // ( ... )* | 
| 833 |  |  | for (;;) { | 
| 834 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 835 |  |  | _t = ASTNULL; | 
| 836 |  |  | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 837 |  |  | bondstatement(_t); | 
| 838 |  |  | _t = _retTree; | 
| 839 |  |  | } | 
| 840 |  |  | else { | 
| 841 | gezelter | 1782 | goto _loop48; | 
| 842 | tim | 770 | } | 
| 843 |  |  |  | 
| 844 |  |  | } | 
| 845 | gezelter | 1782 | _loop48:; | 
| 846 | tim | 770 | } // ( ... )* | 
| 847 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST_in = _t; | 
| 848 | tim | 770 | match(_t,ENDBLOCK); | 
| 849 |  |  | _t = _t->getNextSibling(); | 
| 850 | gezelter | 1782 | _t = __t46; | 
| 851 | tim | 770 | _t = _t->getNextSibling(); | 
| 852 | gezelter | 1782 | #line 147 "MDTreeParser.g" | 
| 853 | tim | 770 |  | 
| 854 |  |  | blockStack.pop(); | 
| 855 |  |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 856 |  |  | currMoleculeStamp->addBondStamp(currBondStamp); | 
| 857 |  |  |  | 
| 858 | gezelter | 1782 | #line 859 "MDTreeParser.cpp" | 
| 859 | tim | 770 | } | 
| 860 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 861 |  |  | reportError(ex); | 
| 862 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 863 |  |  | _t = _t->getNextSibling(); | 
| 864 |  |  | } | 
| 865 |  |  | _retTree = _t; | 
| 866 |  |  | } | 
| 867 |  |  |  | 
| 868 |  |  | void MDTreeParser::bendblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 869 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 870 | tim | 770 |  | 
| 871 |  |  | try {      // for error handling | 
| 872 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t52 = _t; | 
| 873 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST_in = _t; | 
| 874 | tim | 770 | match(_t,BEND); | 
| 875 |  |  | _t = _t->getFirstChild(); | 
| 876 | gezelter | 1782 | #line 163 "MDTreeParser.g" | 
| 877 | tim | 770 | BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp); | 
| 878 | gezelter | 1782 | #line 879 "MDTreeParser.cpp" | 
| 879 | tim | 770 | { // ( ... )* | 
| 880 |  |  | for (;;) { | 
| 881 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 882 |  |  | _t = ASTNULL; | 
| 883 |  |  | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 884 |  |  | bendstatement(_t); | 
| 885 |  |  | _t = _retTree; | 
| 886 |  |  | } | 
| 887 |  |  | else { | 
| 888 | gezelter | 1782 | goto _loop54; | 
| 889 | tim | 770 | } | 
| 890 |  |  |  | 
| 891 |  |  | } | 
| 892 | gezelter | 1782 | _loop54:; | 
| 893 | tim | 770 | } // ( ... )* | 
| 894 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST_in = _t; | 
| 895 | tim | 770 | match(_t,ENDBLOCK); | 
| 896 |  |  | _t = _t->getNextSibling(); | 
| 897 | gezelter | 1782 | _t = __t52; | 
| 898 | tim | 770 | _t = _t->getNextSibling(); | 
| 899 | gezelter | 1782 | #line 165 "MDTreeParser.g" | 
| 900 | tim | 770 |  | 
| 901 |  |  | blockStack.top()->validate(); | 
| 902 |  |  | blockStack.pop(); | 
| 903 |  |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 904 |  |  | currMoleculeStamp->addBendStamp(currBendStamp); | 
| 905 |  |  |  | 
| 906 | gezelter | 1782 | #line 907 "MDTreeParser.cpp" | 
| 907 | tim | 770 | } | 
| 908 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 909 |  |  | reportError(ex); | 
| 910 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 911 |  |  | _t = _t->getNextSibling(); | 
| 912 |  |  | } | 
| 913 |  |  | _retTree = _t; | 
| 914 |  |  | } | 
| 915 |  |  |  | 
| 916 |  |  | void MDTreeParser::torsionblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 917 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 918 | tim | 770 |  | 
| 919 |  |  | try {      // for error handling | 
| 920 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t58 = _t; | 
| 921 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST_in = _t; | 
| 922 | tim | 770 | match(_t,TORSION); | 
| 923 |  |  | _t = _t->getFirstChild(); | 
| 924 | gezelter | 1782 | #line 182 "MDTreeParser.g" | 
| 925 | tim | 770 | TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp); | 
| 926 | gezelter | 1782 | #line 927 "MDTreeParser.cpp" | 
| 927 | tim | 770 | { // ( ... )* | 
| 928 |  |  | for (;;) { | 
| 929 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 930 |  |  | _t = ASTNULL; | 
| 931 |  |  | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 932 |  |  | torsionstatement(_t); | 
| 933 |  |  | _t = _retTree; | 
| 934 |  |  | } | 
| 935 |  |  | else { | 
| 936 | gezelter | 1782 | goto _loop60; | 
| 937 | tim | 770 | } | 
| 938 |  |  |  | 
| 939 |  |  | } | 
| 940 | gezelter | 1782 | _loop60:; | 
| 941 | tim | 770 | } // ( ... )* | 
| 942 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST_in = _t; | 
| 943 | tim | 770 | match(_t,ENDBLOCK); | 
| 944 |  |  | _t = _t->getNextSibling(); | 
| 945 | gezelter | 1782 | _t = __t58; | 
| 946 | tim | 770 | _t = _t->getNextSibling(); | 
| 947 | gezelter | 1782 | #line 184 "MDTreeParser.g" | 
| 948 | tim | 770 |  | 
| 949 |  |  | blockStack.top()->validate(); | 
| 950 |  |  | blockStack.pop(); | 
| 951 |  |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 952 |  |  | currMoleculeStamp->addTorsionStamp(currTorsionStamp); | 
| 953 |  |  |  | 
| 954 | gezelter | 1782 | #line 955 "MDTreeParser.cpp" | 
| 955 | tim | 770 | } | 
| 956 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 957 |  |  | reportError(ex); | 
| 958 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 959 |  |  | _t = _t->getNextSibling(); | 
| 960 |  |  | } | 
| 961 |  |  | _retTree = _t; | 
| 962 |  |  | } | 
| 963 |  |  |  | 
| 964 | cli2 | 1275 | void MDTreeParser::inversionblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 965 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 966 | cli2 | 1275 |  | 
| 967 |  |  | try {      // for error handling | 
| 968 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t64 = _t; | 
| 969 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST_in = _t; | 
| 970 | cli2 | 1275 | match(_t,INVERSION); | 
| 971 |  |  | _t = _t->getFirstChild(); | 
| 972 | gezelter | 1782 | #line 201 "MDTreeParser.g" | 
| 973 | cli2 | 1275 | InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp); | 
| 974 | gezelter | 1782 | #line 975 "MDTreeParser.cpp" | 
| 975 | cli2 | 1275 | { // ( ... )* | 
| 976 |  |  | for (;;) { | 
| 977 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 978 |  |  | _t = ASTNULL; | 
| 979 | gezelter | 1902 | if ((_t->getType() == CENTER || _t->getType() == SATELLITES || _t->getType() == ASSIGNEQUAL)) { | 
| 980 | cli2 | 1275 | inversionstatement(_t); | 
| 981 |  |  | _t = _retTree; | 
| 982 |  |  | } | 
| 983 |  |  | else { | 
| 984 | gezelter | 1782 | goto _loop66; | 
| 985 | cli2 | 1275 | } | 
| 986 |  |  |  | 
| 987 |  |  | } | 
| 988 | gezelter | 1782 | _loop66:; | 
| 989 | cli2 | 1275 | } // ( ... )* | 
| 990 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST_in = _t; | 
| 991 | cli2 | 1275 | match(_t,ENDBLOCK); | 
| 992 |  |  | _t = _t->getNextSibling(); | 
| 993 | gezelter | 1782 | _t = __t64; | 
| 994 | cli2 | 1275 | _t = _t->getNextSibling(); | 
| 995 | gezelter | 1782 | #line 203 "MDTreeParser.g" | 
| 996 | cli2 | 1275 |  | 
| 997 |  |  | blockStack.top()->validate(); | 
| 998 |  |  | blockStack.pop(); | 
| 999 |  |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 1000 |  |  | currMoleculeStamp->addInversionStamp(currInversionStamp); | 
| 1001 |  |  |  | 
| 1002 | gezelter | 1782 | #line 1003 "MDTreeParser.cpp" | 
| 1003 | cli2 | 1275 | } | 
| 1004 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1005 |  |  | reportError(ex); | 
| 1006 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1007 |  |  | _t = _t->getNextSibling(); | 
| 1008 |  |  | } | 
| 1009 |  |  | _retTree = _t; | 
| 1010 |  |  | } | 
| 1011 |  |  |  | 
| 1012 | tim | 770 | void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1013 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1014 | gezelter | 1902 | #line 222 "MDTreeParser.g" | 
| 1015 | tim | 770 |  | 
| 1016 |  |  | int index; | 
| 1017 |  |  |  | 
| 1018 | gezelter | 1782 | #line 1019 "MDTreeParser.cpp" | 
| 1019 | tim | 770 |  | 
| 1020 |  |  | try {      // for error handling | 
| 1021 | gezelter | 1902 | ANTLR_USE_NAMESPACE(antlr)RefAST __t71 = _t; | 
| 1022 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST_in = _t; | 
| 1023 | tim | 770 | match(_t,RIGIDBODY); | 
| 1024 |  |  | _t = _t->getFirstChild(); | 
| 1025 |  |  | index=intConst(_t); | 
| 1026 |  |  | _t = _retTree; | 
| 1027 | gezelter | 1902 | #line 226 "MDTreeParser.g" | 
| 1028 | tim | 770 | RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp); | 
| 1029 | gezelter | 1782 | #line 1030 "MDTreeParser.cpp" | 
| 1030 | tim | 770 | { // ( ... )* | 
| 1031 |  |  | for (;;) { | 
| 1032 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1033 |  |  | _t = ASTNULL; | 
| 1034 |  |  | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 1035 |  |  | rigidbodystatement(_t); | 
| 1036 |  |  | _t = _retTree; | 
| 1037 |  |  | } | 
| 1038 |  |  | else { | 
| 1039 | gezelter | 1902 | goto _loop73; | 
| 1040 | tim | 770 | } | 
| 1041 |  |  |  | 
| 1042 |  |  | } | 
| 1043 | gezelter | 1902 | _loop73:; | 
| 1044 | tim | 770 | } // ( ... )* | 
| 1045 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST_in = _t; | 
| 1046 | tim | 770 | match(_t,ENDBLOCK); | 
| 1047 |  |  | _t = _t->getNextSibling(); | 
| 1048 | gezelter | 1902 | _t = __t71; | 
| 1049 | tim | 770 | _t = _t->getNextSibling(); | 
| 1050 | gezelter | 1902 | #line 228 "MDTreeParser.g" | 
| 1051 | tim | 770 |  | 
| 1052 |  |  | blockStack.top()->validate(); | 
| 1053 |  |  | blockStack.pop(); | 
| 1054 |  |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 1055 |  |  | currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp); | 
| 1056 |  |  |  | 
| 1057 | gezelter | 1782 | #line 1058 "MDTreeParser.cpp" | 
| 1058 | tim | 770 | } | 
| 1059 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1060 |  |  | reportError(ex); | 
| 1061 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1062 |  |  | _t = _t->getNextSibling(); | 
| 1063 |  |  | } | 
| 1064 |  |  | _retTree = _t; | 
| 1065 |  |  | } | 
| 1066 |  |  |  | 
| 1067 |  |  | void MDTreeParser::cutoffgroupblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1068 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1069 | tim | 770 |  | 
| 1070 |  |  | try {      // for error handling | 
| 1071 | gezelter | 1902 | ANTLR_USE_NAMESPACE(antlr)RefAST __t77 = _t; | 
| 1072 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST_in = _t; | 
| 1073 | tim | 770 | match(_t,CUTOFFGROUP); | 
| 1074 |  |  | _t = _t->getFirstChild(); | 
| 1075 | gezelter | 1902 | #line 245 "MDTreeParser.g" | 
| 1076 | tim | 770 | CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp); | 
| 1077 | gezelter | 1782 | #line 1078 "MDTreeParser.cpp" | 
| 1078 | tim | 770 | { // ( ... )* | 
| 1079 |  |  | for (;;) { | 
| 1080 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1081 |  |  | _t = ASTNULL; | 
| 1082 |  |  | if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 1083 |  |  | cutoffgroupstatement(_t); | 
| 1084 |  |  | _t = _retTree; | 
| 1085 |  |  | } | 
| 1086 |  |  | else { | 
| 1087 | gezelter | 1902 | goto _loop79; | 
| 1088 | tim | 770 | } | 
| 1089 |  |  |  | 
| 1090 |  |  | } | 
| 1091 | gezelter | 1902 | _loop79:; | 
| 1092 | tim | 770 | } // ( ... )* | 
| 1093 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST_in = _t; | 
| 1094 | tim | 770 | match(_t,ENDBLOCK); | 
| 1095 |  |  | _t = _t->getNextSibling(); | 
| 1096 | gezelter | 1902 | _t = __t77; | 
| 1097 | tim | 770 | _t = _t->getNextSibling(); | 
| 1098 | gezelter | 1902 | #line 247 "MDTreeParser.g" | 
| 1099 | tim | 770 |  | 
| 1100 |  |  | blockStack.top()->validate(); | 
| 1101 |  |  | blockStack.pop(); | 
| 1102 |  |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 1103 |  |  | currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp); | 
| 1104 |  |  |  | 
| 1105 | gezelter | 1782 | #line 1106 "MDTreeParser.cpp" | 
| 1106 | tim | 770 | } | 
| 1107 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1108 |  |  | reportError(ex); | 
| 1109 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1110 |  |  | _t = _t->getNextSibling(); | 
| 1111 |  |  | } | 
| 1112 |  |  | _retTree = _t; | 
| 1113 |  |  | } | 
| 1114 |  |  |  | 
| 1115 |  |  | void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1116 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1117 | gezelter | 1902 | #line 264 "MDTreeParser.g" | 
| 1118 | tim | 770 | int ival; | 
| 1119 | gezelter | 1782 | #line 1120 "MDTreeParser.cpp" | 
| 1120 | tim | 770 |  | 
| 1121 |  |  | try {      // for error handling | 
| 1122 | gezelter | 1902 | ANTLR_USE_NAMESPACE(antlr)RefAST __t83 = _t; | 
| 1123 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST_in = _t; | 
| 1124 | tim | 770 | match(_t,FRAGMENT); | 
| 1125 |  |  | _t = _t->getFirstChild(); | 
| 1126 |  |  | ival=intConst(_t); | 
| 1127 |  |  | _t = _retTree; | 
| 1128 | gezelter | 1902 | #line 265 "MDTreeParser.g" | 
| 1129 | tim | 770 | FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp); | 
| 1130 | gezelter | 1782 | #line 1131 "MDTreeParser.cpp" | 
| 1131 | tim | 770 | { // ( ... )* | 
| 1132 |  |  | for (;;) { | 
| 1133 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1134 |  |  | _t = ASTNULL; | 
| 1135 |  |  | if ((_t->getType() == ASSIGNEQUAL)) { | 
| 1136 |  |  | fragmentstatement(_t); | 
| 1137 |  |  | _t = _retTree; | 
| 1138 |  |  | } | 
| 1139 |  |  | else { | 
| 1140 | gezelter | 1902 | goto _loop85; | 
| 1141 | tim | 770 | } | 
| 1142 |  |  |  | 
| 1143 |  |  | } | 
| 1144 | gezelter | 1902 | _loop85:; | 
| 1145 | tim | 770 | } // ( ... )* | 
| 1146 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST tmp35_AST_in = _t; | 
| 1147 | tim | 770 | match(_t,ENDBLOCK); | 
| 1148 |  |  | _t = _t->getNextSibling(); | 
| 1149 | gezelter | 1902 | _t = __t83; | 
| 1150 | tim | 770 | _t = _t->getNextSibling(); | 
| 1151 | gezelter | 1902 | #line 267 "MDTreeParser.g" | 
| 1152 | tim | 770 |  | 
| 1153 |  |  | blockStack.top()->validate(); | 
| 1154 |  |  | blockStack.pop(); | 
| 1155 |  |  | MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 1156 |  |  | currMoleculeStamp->addFragmentStamp(currFragmentStamp); | 
| 1157 |  |  |  | 
| 1158 | gezelter | 1782 | #line 1159 "MDTreeParser.cpp" | 
| 1159 | tim | 770 | } | 
| 1160 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1161 |  |  | reportError(ex); | 
| 1162 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1163 |  |  | _t = _t->getNextSibling(); | 
| 1164 |  |  | } | 
| 1165 |  |  | _retTree = _t; | 
| 1166 |  |  | } | 
| 1167 |  |  |  | 
| 1168 |  |  | void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1169 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST atomstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1170 | gezelter | 1782 | #line 133 "MDTreeParser.g" | 
| 1171 | tim | 770 |  | 
| 1172 | tim | 963 | vector<RealType> dvec; | 
| 1173 | tim | 770 | AtomStamp* currAtomStamp =  static_cast<AtomStamp*>(blockStack.top()); | 
| 1174 |  |  |  | 
| 1175 |  |  |  | 
| 1176 | gezelter | 1782 | #line 1177 "MDTreeParser.cpp" | 
| 1177 | tim | 770 |  | 
| 1178 |  |  | try {      // for error handling | 
| 1179 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1180 |  |  | _t = ASTNULL; | 
| 1181 |  |  | switch ( _t->getType()) { | 
| 1182 |  |  | case ASSIGNEQUAL: | 
| 1183 |  |  | { | 
| 1184 |  |  | assignment(_t); | 
| 1185 |  |  | _t = _retTree; | 
| 1186 |  |  | break; | 
| 1187 |  |  | } | 
| 1188 |  |  | case POSITION: | 
| 1189 |  |  | { | 
| 1190 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t43 = _t; | 
| 1191 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp36_AST_in = _t; | 
| 1192 | tim | 770 | match(_t,POSITION); | 
| 1193 |  |  | _t = _t->getFirstChild(); | 
| 1194 | tim | 814 | dvec=doubleNumberTuple(_t); | 
| 1195 | tim | 770 | _t = _retTree; | 
| 1196 | gezelter | 1782 | _t = __t43; | 
| 1197 | tim | 770 | _t = _t->getNextSibling(); | 
| 1198 | gezelter | 1782 | #line 140 "MDTreeParser.g" | 
| 1199 | tim | 770 | currAtomStamp->setPosition(dvec); | 
| 1200 | gezelter | 1782 | #line 1201 "MDTreeParser.cpp" | 
| 1201 | tim | 770 | break; | 
| 1202 |  |  | } | 
| 1203 |  |  | case ORIENTATION: | 
| 1204 |  |  | { | 
| 1205 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t44 = _t; | 
| 1206 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp37_AST_in = _t; | 
| 1207 | tim | 770 | match(_t,ORIENTATION); | 
| 1208 |  |  | _t = _t->getFirstChild(); | 
| 1209 | tim | 814 | dvec=doubleNumberTuple(_t); | 
| 1210 | tim | 770 | _t = _retTree; | 
| 1211 | gezelter | 1782 | _t = __t44; | 
| 1212 | tim | 770 | _t = _t->getNextSibling(); | 
| 1213 | gezelter | 1782 | #line 141 "MDTreeParser.g" | 
| 1214 | tim | 770 | currAtomStamp->setOrientation(dvec); | 
| 1215 | gezelter | 1782 | #line 1216 "MDTreeParser.cpp" | 
| 1216 | tim | 770 | break; | 
| 1217 |  |  | } | 
| 1218 |  |  | default: | 
| 1219 |  |  | { | 
| 1220 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1221 |  |  | } | 
| 1222 |  |  | } | 
| 1223 |  |  | } | 
| 1224 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1225 |  |  | reportError(ex); | 
| 1226 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1227 |  |  | _t = _t->getNextSibling(); | 
| 1228 |  |  | } | 
| 1229 |  |  | _retTree = _t; | 
| 1230 |  |  | } | 
| 1231 |  |  |  | 
| 1232 | tim | 963 | vector<RealType>  MDTreeParser::doubleNumberTuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1233 | gezelter | 1902 | #line 280 "MDTreeParser.g" | 
| 1234 | tim | 963 | vector<RealType> dvec; | 
| 1235 | gezelter | 1782 | #line 1236 "MDTreeParser.cpp" | 
| 1236 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumberTuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1237 | gezelter | 1902 | #line 280 "MDTreeParser.g" | 
| 1238 | tim | 770 |  | 
| 1239 | tim | 963 | RealType dval; | 
| 1240 | tim | 770 |  | 
| 1241 | gezelter | 1782 | #line 1242 "MDTreeParser.cpp" | 
| 1242 | tim | 770 |  | 
| 1243 |  |  | try {      // for error handling | 
| 1244 |  |  | { // ( ... )+ | 
| 1245 | gezelter | 1902 | int _cnt89=0; | 
| 1246 | tim | 770 | for (;;) { | 
| 1247 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1248 |  |  | _t = ASTNULL; | 
| 1249 | tim | 814 | if (((_t->getType() >= NUM_INT && _t->getType() <= NUM_DOUBLE))) { | 
| 1250 |  |  | dval=doubleNumber(_t); | 
| 1251 | tim | 770 | _t = _retTree; | 
| 1252 | gezelter | 1902 | #line 284 "MDTreeParser.g" | 
| 1253 | tim | 770 | dvec.push_back(dval); | 
| 1254 | gezelter | 1782 | #line 1255 "MDTreeParser.cpp" | 
| 1255 | tim | 770 | } | 
| 1256 |  |  | else { | 
| 1257 | gezelter | 1902 | if ( _cnt89>=1 ) { goto _loop89; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} | 
| 1258 | tim | 770 | } | 
| 1259 |  |  |  | 
| 1260 | gezelter | 1902 | _cnt89++; | 
| 1261 | tim | 770 | } | 
| 1262 | gezelter | 1902 | _loop89:; | 
| 1263 | tim | 770 | }  // ( ... )+ | 
| 1264 |  |  | } | 
| 1265 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1266 |  |  | reportError(ex); | 
| 1267 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1268 |  |  | _t = _t->getNextSibling(); | 
| 1269 |  |  | } | 
| 1270 |  |  | _retTree = _t; | 
| 1271 |  |  | return dvec; | 
| 1272 |  |  | } | 
| 1273 |  |  |  | 
| 1274 |  |  | void MDTreeParser::bondstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1275 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST bondstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1276 | gezelter | 1782 | #line 154 "MDTreeParser.g" | 
| 1277 | tim | 770 |  | 
| 1278 |  |  | vector<int> ivec; | 
| 1279 |  |  | BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top()); | 
| 1280 |  |  |  | 
| 1281 | gezelter | 1782 | #line 1282 "MDTreeParser.cpp" | 
| 1282 | tim | 770 |  | 
| 1283 |  |  | try {      // for error handling | 
| 1284 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1285 |  |  | _t = ASTNULL; | 
| 1286 |  |  | switch ( _t->getType()) { | 
| 1287 |  |  | case ASSIGNEQUAL: | 
| 1288 |  |  | { | 
| 1289 |  |  | assignment(_t); | 
| 1290 |  |  | _t = _retTree; | 
| 1291 |  |  | break; | 
| 1292 |  |  | } | 
| 1293 |  |  | case MEMBERS: | 
| 1294 |  |  | { | 
| 1295 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t50 = _t; | 
| 1296 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST_in = _t; | 
| 1297 | tim | 770 | match(_t,MEMBERS); | 
| 1298 |  |  | _t = _t->getFirstChild(); | 
| 1299 |  |  | ivec=inttuple(_t); | 
| 1300 |  |  | _t = _retTree; | 
| 1301 | gezelter | 1782 | _t = __t50; | 
| 1302 | tim | 770 | _t = _t->getNextSibling(); | 
| 1303 | gezelter | 1782 | #line 160 "MDTreeParser.g" | 
| 1304 | tim | 770 | currBondStamp->setMembers(ivec); | 
| 1305 | gezelter | 1782 | #line 1306 "MDTreeParser.cpp" | 
| 1306 | tim | 770 | break; | 
| 1307 |  |  | } | 
| 1308 |  |  | default: | 
| 1309 |  |  | { | 
| 1310 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1311 |  |  | } | 
| 1312 |  |  | } | 
| 1313 |  |  | } | 
| 1314 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1315 |  |  | reportError(ex); | 
| 1316 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1317 |  |  | _t = _t->getNextSibling(); | 
| 1318 |  |  | } | 
| 1319 |  |  | _retTree = _t; | 
| 1320 |  |  | } | 
| 1321 |  |  |  | 
| 1322 |  |  | vector<int>  MDTreeParser::inttuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1323 | gezelter | 1902 | #line 288 "MDTreeParser.g" | 
| 1324 | tim | 770 | vector<int> ivec; | 
| 1325 | gezelter | 1782 | #line 1326 "MDTreeParser.cpp" | 
| 1326 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST inttuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1327 | gezelter | 1902 | #line 288 "MDTreeParser.g" | 
| 1328 | tim | 770 |  | 
| 1329 |  |  | int ival; | 
| 1330 |  |  |  | 
| 1331 | gezelter | 1782 | #line 1332 "MDTreeParser.cpp" | 
| 1332 | tim | 770 |  | 
| 1333 |  |  | try {      // for error handling | 
| 1334 |  |  | { // ( ... )+ | 
| 1335 | gezelter | 1902 | int _cnt92=0; | 
| 1336 | tim | 770 | for (;;) { | 
| 1337 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1338 |  |  | _t = ASTNULL; | 
| 1339 | tim | 814 | if ((_t->getType() == NUM_INT || _t->getType() == NUM_LONG)) { | 
| 1340 | tim | 770 | ival=intConst(_t); | 
| 1341 |  |  | _t = _retTree; | 
| 1342 | gezelter | 1902 | #line 292 "MDTreeParser.g" | 
| 1343 | tim | 770 | ivec.push_back(ival); | 
| 1344 | gezelter | 1782 | #line 1345 "MDTreeParser.cpp" | 
| 1345 | tim | 770 | } | 
| 1346 |  |  | else { | 
| 1347 | gezelter | 1902 | if ( _cnt92>=1 ) { goto _loop92; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} | 
| 1348 | tim | 770 | } | 
| 1349 |  |  |  | 
| 1350 | gezelter | 1902 | _cnt92++; | 
| 1351 | tim | 770 | } | 
| 1352 | gezelter | 1902 | _loop92:; | 
| 1353 | tim | 770 | }  // ( ... )+ | 
| 1354 |  |  | } | 
| 1355 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1356 |  |  | reportError(ex); | 
| 1357 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1358 |  |  | _t = _t->getNextSibling(); | 
| 1359 |  |  | } | 
| 1360 |  |  | _retTree = _t; | 
| 1361 |  |  | return ivec; | 
| 1362 |  |  | } | 
| 1363 |  |  |  | 
| 1364 |  |  | void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1365 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST bendstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1366 | gezelter | 1782 | #line 173 "MDTreeParser.g" | 
| 1367 | tim | 770 |  | 
| 1368 |  |  | vector<int> ivec; | 
| 1369 |  |  | BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top()); | 
| 1370 |  |  |  | 
| 1371 | gezelter | 1782 | #line 1372 "MDTreeParser.cpp" | 
| 1372 | tim | 770 |  | 
| 1373 |  |  | try {      // for error handling | 
| 1374 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1375 |  |  | _t = ASTNULL; | 
| 1376 |  |  | switch ( _t->getType()) { | 
| 1377 |  |  | case ASSIGNEQUAL: | 
| 1378 |  |  | { | 
| 1379 |  |  | assignment(_t); | 
| 1380 |  |  | _t = _retTree; | 
| 1381 |  |  | break; | 
| 1382 |  |  | } | 
| 1383 |  |  | case MEMBERS: | 
| 1384 |  |  | { | 
| 1385 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t56 = _t; | 
| 1386 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST_in = _t; | 
| 1387 | tim | 770 | match(_t,MEMBERS); | 
| 1388 |  |  | _t = _t->getFirstChild(); | 
| 1389 |  |  | ivec=inttuple(_t); | 
| 1390 |  |  | _t = _retTree; | 
| 1391 | gezelter | 1782 | _t = __t56; | 
| 1392 | tim | 770 | _t = _t->getNextSibling(); | 
| 1393 | gezelter | 1782 | #line 179 "MDTreeParser.g" | 
| 1394 | tim | 770 | currBendStamp->setMembers(ivec); | 
| 1395 | gezelter | 1782 | #line 1396 "MDTreeParser.cpp" | 
| 1396 | tim | 770 | break; | 
| 1397 |  |  | } | 
| 1398 |  |  | default: | 
| 1399 |  |  | { | 
| 1400 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1401 |  |  | } | 
| 1402 |  |  | } | 
| 1403 |  |  | } | 
| 1404 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1405 |  |  | reportError(ex); | 
| 1406 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1407 |  |  | _t = _t->getNextSibling(); | 
| 1408 |  |  | } | 
| 1409 |  |  | _retTree = _t; | 
| 1410 |  |  | } | 
| 1411 |  |  |  | 
| 1412 |  |  | void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1413 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST torsionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1414 | gezelter | 1782 | #line 192 "MDTreeParser.g" | 
| 1415 | tim | 770 |  | 
| 1416 |  |  | vector<int> ivec; | 
| 1417 |  |  | TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top()); | 
| 1418 |  |  |  | 
| 1419 | gezelter | 1782 | #line 1420 "MDTreeParser.cpp" | 
| 1420 | tim | 770 |  | 
| 1421 |  |  | try {      // for error handling | 
| 1422 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1423 |  |  | _t = ASTNULL; | 
| 1424 |  |  | switch ( _t->getType()) { | 
| 1425 |  |  | case ASSIGNEQUAL: | 
| 1426 |  |  | { | 
| 1427 |  |  | assignment(_t); | 
| 1428 |  |  | _t = _retTree; | 
| 1429 |  |  | break; | 
| 1430 |  |  | } | 
| 1431 |  |  | case MEMBERS: | 
| 1432 |  |  | { | 
| 1433 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t62 = _t; | 
| 1434 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST_in = _t; | 
| 1435 | tim | 770 | match(_t,MEMBERS); | 
| 1436 |  |  | _t = _t->getFirstChild(); | 
| 1437 |  |  | ivec=inttuple(_t); | 
| 1438 |  |  | _t = _retTree; | 
| 1439 | gezelter | 1782 | _t = __t62; | 
| 1440 | tim | 770 | _t = _t->getNextSibling(); | 
| 1441 | gezelter | 1782 | #line 198 "MDTreeParser.g" | 
| 1442 | tim | 770 | currTorsionStamp->setMembers(ivec); | 
| 1443 | gezelter | 1782 | #line 1444 "MDTreeParser.cpp" | 
| 1444 | tim | 770 | break; | 
| 1445 |  |  | } | 
| 1446 |  |  | default: | 
| 1447 |  |  | { | 
| 1448 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1449 |  |  | } | 
| 1450 |  |  | } | 
| 1451 |  |  | } | 
| 1452 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1453 |  |  | reportError(ex); | 
| 1454 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1455 |  |  | _t = _t->getNextSibling(); | 
| 1456 |  |  | } | 
| 1457 |  |  | _retTree = _t; | 
| 1458 |  |  | } | 
| 1459 |  |  |  | 
| 1460 | cli2 | 1275 | void MDTreeParser::inversionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1461 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST inversionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1462 | gezelter | 1782 | #line 211 "MDTreeParser.g" | 
| 1463 | cli2 | 1275 |  | 
| 1464 |  |  | int icent; | 
| 1465 | gezelter | 1902 | vector<int> ivec; | 
| 1466 | cli2 | 1275 | InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top()); | 
| 1467 |  |  |  | 
| 1468 | gezelter | 1902 | #line 1469 "MDTreeParser.cpp" | 
| 1469 | cli2 | 1275 |  | 
| 1470 |  |  | try {      // for error handling | 
| 1471 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1472 |  |  | _t = ASTNULL; | 
| 1473 |  |  | switch ( _t->getType()) { | 
| 1474 |  |  | case ASSIGNEQUAL: | 
| 1475 |  |  | { | 
| 1476 |  |  | assignment(_t); | 
| 1477 |  |  | _t = _retTree; | 
| 1478 |  |  | break; | 
| 1479 |  |  | } | 
| 1480 |  |  | case CENTER: | 
| 1481 |  |  | { | 
| 1482 | gezelter | 1782 | ANTLR_USE_NAMESPACE(antlr)RefAST __t68 = _t; | 
| 1483 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp41_AST_in = _t; | 
| 1484 | cli2 | 1275 | match(_t,CENTER); | 
| 1485 |  |  | _t = _t->getFirstChild(); | 
| 1486 |  |  | icent=intConst(_t); | 
| 1487 |  |  | _t = _retTree; | 
| 1488 | gezelter | 1782 | _t = __t68; | 
| 1489 | cli2 | 1275 | _t = _t->getNextSibling(); | 
| 1490 | gezelter | 1902 | #line 218 "MDTreeParser.g" | 
| 1491 | cli2 | 1275 | currInversionStamp->setCenter(icent); | 
| 1492 | gezelter | 1902 | #line 1493 "MDTreeParser.cpp" | 
| 1493 | cli2 | 1275 | break; | 
| 1494 |  |  | } | 
| 1495 | gezelter | 1902 | case SATELLITES: | 
| 1496 |  |  | { | 
| 1497 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST __t69 = _t; | 
| 1498 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST_in = _t; | 
| 1499 |  |  | match(_t,SATELLITES); | 
| 1500 |  |  | _t = _t->getFirstChild(); | 
| 1501 |  |  | ivec=inttuple(_t); | 
| 1502 |  |  | _t = _retTree; | 
| 1503 |  |  | _t = __t69; | 
| 1504 |  |  | _t = _t->getNextSibling(); | 
| 1505 |  |  | #line 219 "MDTreeParser.g" | 
| 1506 |  |  | currInversionStamp->setSatellites(ivec); | 
| 1507 |  |  | #line 1508 "MDTreeParser.cpp" | 
| 1508 |  |  | break; | 
| 1509 |  |  | } | 
| 1510 | cli2 | 1275 | default: | 
| 1511 |  |  | { | 
| 1512 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1513 |  |  | } | 
| 1514 |  |  | } | 
| 1515 |  |  | } | 
| 1516 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1517 |  |  | reportError(ex); | 
| 1518 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1519 |  |  | _t = _t->getNextSibling(); | 
| 1520 |  |  | } | 
| 1521 |  |  | _retTree = _t; | 
| 1522 |  |  | } | 
| 1523 |  |  |  | 
| 1524 | tim | 770 | void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1525 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodystatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1526 | gezelter | 1902 | #line 236 "MDTreeParser.g" | 
| 1527 | tim | 770 |  | 
| 1528 |  |  | vector<int> ivec; | 
| 1529 |  |  | RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top()); | 
| 1530 |  |  |  | 
| 1531 | gezelter | 1902 | #line 1532 "MDTreeParser.cpp" | 
| 1532 | tim | 770 |  | 
| 1533 |  |  | try {      // for error handling | 
| 1534 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1535 |  |  | _t = ASTNULL; | 
| 1536 |  |  | switch ( _t->getType()) { | 
| 1537 |  |  | case ASSIGNEQUAL: | 
| 1538 |  |  | { | 
| 1539 |  |  | assignment(_t); | 
| 1540 |  |  | _t = _retTree; | 
| 1541 |  |  | break; | 
| 1542 |  |  | } | 
| 1543 |  |  | case MEMBERS: | 
| 1544 |  |  | { | 
| 1545 | gezelter | 1902 | ANTLR_USE_NAMESPACE(antlr)RefAST __t75 = _t; | 
| 1546 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST_in = _t; | 
| 1547 | tim | 770 | match(_t,MEMBERS); | 
| 1548 |  |  | _t = _t->getFirstChild(); | 
| 1549 |  |  | ivec=inttuple(_t); | 
| 1550 |  |  | _t = _retTree; | 
| 1551 | gezelter | 1902 | _t = __t75; | 
| 1552 | tim | 770 | _t = _t->getNextSibling(); | 
| 1553 | gezelter | 1902 | #line 242 "MDTreeParser.g" | 
| 1554 | tim | 770 | currRigidBodyStamp->setMembers(ivec); | 
| 1555 | gezelter | 1902 | #line 1556 "MDTreeParser.cpp" | 
| 1556 | tim | 770 | break; | 
| 1557 |  |  | } | 
| 1558 |  |  | default: | 
| 1559 |  |  | { | 
| 1560 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1561 |  |  | } | 
| 1562 |  |  | } | 
| 1563 |  |  | } | 
| 1564 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1565 |  |  | reportError(ex); | 
| 1566 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1567 |  |  | _t = _t->getNextSibling(); | 
| 1568 |  |  | } | 
| 1569 |  |  | _retTree = _t; | 
| 1570 |  |  | } | 
| 1571 |  |  |  | 
| 1572 |  |  | void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1573 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1574 | gezelter | 1902 | #line 255 "MDTreeParser.g" | 
| 1575 | tim | 770 |  | 
| 1576 |  |  | vector<int> ivec; | 
| 1577 |  |  | CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top()); | 
| 1578 |  |  |  | 
| 1579 | gezelter | 1902 | #line 1580 "MDTreeParser.cpp" | 
| 1580 | tim | 770 |  | 
| 1581 |  |  | try {      // for error handling | 
| 1582 |  |  | if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1583 |  |  | _t = ASTNULL; | 
| 1584 |  |  | switch ( _t->getType()) { | 
| 1585 |  |  | case ASSIGNEQUAL: | 
| 1586 |  |  | { | 
| 1587 |  |  | assignment(_t); | 
| 1588 |  |  | _t = _retTree; | 
| 1589 |  |  | break; | 
| 1590 |  |  | } | 
| 1591 |  |  | case MEMBERS: | 
| 1592 |  |  | { | 
| 1593 | gezelter | 1902 | ANTLR_USE_NAMESPACE(antlr)RefAST __t81 = _t; | 
| 1594 |  |  | ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST_in = _t; | 
| 1595 | tim | 770 | match(_t,MEMBERS); | 
| 1596 |  |  | _t = _t->getFirstChild(); | 
| 1597 |  |  | ivec=inttuple(_t); | 
| 1598 |  |  | _t = _retTree; | 
| 1599 | gezelter | 1902 | _t = __t81; | 
| 1600 | tim | 770 | _t = _t->getNextSibling(); | 
| 1601 | gezelter | 1902 | #line 261 "MDTreeParser.g" | 
| 1602 | tim | 770 | currCutoffGroupStamp->setMembers(ivec); | 
| 1603 | gezelter | 1902 | #line 1604 "MDTreeParser.cpp" | 
| 1604 | tim | 770 | break; | 
| 1605 |  |  | } | 
| 1606 |  |  | default: | 
| 1607 |  |  | { | 
| 1608 |  |  | throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1609 |  |  | } | 
| 1610 |  |  | } | 
| 1611 |  |  | } | 
| 1612 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1613 |  |  | reportError(ex); | 
| 1614 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1615 |  |  | _t = _t->getNextSibling(); | 
| 1616 |  |  | } | 
| 1617 |  |  | _retTree = _t; | 
| 1618 |  |  | } | 
| 1619 |  |  |  | 
| 1620 |  |  | void MDTreeParser::fragmentstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1621 | gezelter | 1277 | ANTLR_USE_NAMESPACE(antlr)RefAST fragmentstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1622 | tim | 770 |  | 
| 1623 |  |  | try {      // for error handling | 
| 1624 |  |  | assignment(_t); | 
| 1625 |  |  | _t = _retTree; | 
| 1626 |  |  | } | 
| 1627 |  |  | catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1628 |  |  | reportError(ex); | 
| 1629 |  |  | if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1630 |  |  | _t = _t->getNextSibling(); | 
| 1631 |  |  | } | 
| 1632 |  |  | _retTree = _t; | 
| 1633 |  |  | } | 
| 1634 |  |  |  | 
| 1635 |  |  | void MDTreeParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& ) | 
| 1636 |  |  | { | 
| 1637 |  |  | } | 
| 1638 |  |  | const char* MDTreeParser::tokenNames[] = { | 
| 1639 |  |  | "<0>", | 
| 1640 |  |  | "EOF", | 
| 1641 |  |  | "<2>", | 
| 1642 |  |  | "NULL_TREE_LOOKAHEAD", | 
| 1643 |  |  | "\"component\"", | 
| 1644 |  |  | "\"molecule\"", | 
| 1645 |  |  | "\"zconstraint\"", | 
| 1646 | cli2 | 1360 | "\"restraint\"", | 
| 1647 | tim | 770 | "\"atom\"", | 
| 1648 |  |  | "\"bond\"", | 
| 1649 |  |  | "\"bend\"", | 
| 1650 |  |  | "\"torsion\"", | 
| 1651 | cli2 | 1275 | "\"inversion\"", | 
| 1652 | tim | 770 | "\"rigidBody\"", | 
| 1653 |  |  | "\"cutoffGroup\"", | 
| 1654 |  |  | "\"fragment\"", | 
| 1655 |  |  | "\"members\"", | 
| 1656 | cli2 | 1275 | "\"center\"", | 
| 1657 | gezelter | 1902 | "\"satellites\"", | 
| 1658 | tim | 770 | "\"position\"", | 
| 1659 |  |  | "\"orientation\"", | 
| 1660 | gezelter | 1782 | "\"flucQ\"", | 
| 1661 |  |  | "\"RNEMD\"", | 
| 1662 |  |  | "\"minimizer\"", | 
| 1663 | tim | 770 | "ENDBLOCK", | 
| 1664 |  |  | "ID", | 
| 1665 |  |  | "ASSIGNEQUAL", | 
| 1666 |  |  | "SEMICOLON", | 
| 1667 |  |  | "StringLiteral", | 
| 1668 |  |  | "LCURLY", | 
| 1669 |  |  | "RCURLY", | 
| 1670 |  |  | "LBRACKET", | 
| 1671 |  |  | "RBRACKET", | 
| 1672 |  |  | "LPAREN", | 
| 1673 |  |  | "RPAREN", | 
| 1674 |  |  | "COMMA", | 
| 1675 | tim | 814 | "NUM_INT", | 
| 1676 |  |  | "NUM_LONG", | 
| 1677 |  |  | "NUM_FLOAT", | 
| 1678 |  |  | "NUM_DOUBLE", | 
| 1679 | tim | 770 | "DOT", | 
| 1680 |  |  | "COLON", | 
| 1681 |  |  | "QUESTIONMARK", | 
| 1682 |  |  | "Whitespace", | 
| 1683 |  |  | "Comment", | 
| 1684 |  |  | "CPPComment", | 
| 1685 |  |  | "a line directive", | 
| 1686 |  |  | "LineDirective", | 
| 1687 |  |  | "Space", | 
| 1688 |  |  | "CharLiteral", | 
| 1689 |  |  | "EndOfLine", | 
| 1690 |  |  | "Escape", | 
| 1691 | tim | 814 | "Vocabulary", | 
| 1692 | tim | 770 | "Digit", | 
| 1693 |  |  | "Decimal", | 
| 1694 | tim | 814 | "HEX_DIGIT", | 
| 1695 |  |  | "EXPONENT", | 
| 1696 |  |  | "FLOAT_SUFFIX", | 
| 1697 | tim | 770 | 0 | 
| 1698 |  |  | }; | 
| 1699 |  |  |  | 
| 1700 | gezelter | 1902 | const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 81789168UL, 0UL, 0UL, 0UL }; | 
| 1701 | gezelter | 1782 | // "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer" | 
| 1702 |  |  | // ASSIGNEQUAL | 
| 1703 | tim | 770 | const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 1704 | gezelter | 1902 | const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 67174144UL, 0UL, 0UL, 0UL }; | 
| 1705 | cli2 | 1275 | // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" | 
| 1706 |  |  | // "fragment" ASSIGNEQUAL | 
| 1707 | tim | 770 | const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 1708 |  |  |  | 
| 1709 |  |  |  |