| 1 | 
/* $ANTLR 2.7.7 (20131114): "MDTreeParser.g" -> "MDTreeParser.cpp"$ */ | 
| 2 | 
#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 | 
        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 | 
                { // ( ... )* | 
| 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 | 
        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 ) | 
| 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 | 
                case RESTRAINT: | 
| 78 | 
                { | 
| 79 | 
                        restraintblock(_t); | 
| 80 | 
                        _t = _retTree; | 
| 81 | 
                        break; | 
| 82 | 
                } | 
| 83 | 
                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 | 
                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 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST assignment_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 117 | 
        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 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST componentblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 142 | 
         | 
| 143 | 
        try {      // for error handling | 
| 144 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t10 = _t; | 
| 145 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp2_AST_in = _t; | 
| 146 | 
                match(_t,COMPONENT); | 
| 147 | 
                _t = _t->getFirstChild(); | 
| 148 | 
#line 70 "MDTreeParser.g" | 
| 149 | 
                Component* currComponet = new Component(); blockStack.push(currComponet); | 
| 150 | 
#line 151 "MDTreeParser.cpp" | 
| 151 | 
                { // ( ... )* | 
| 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 | 
                                goto _loop12; | 
| 161 | 
                        } | 
| 162 | 
                         | 
| 163 | 
                } | 
| 164 | 
                _loop12:; | 
| 165 | 
                } // ( ... )* | 
| 166 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp3_AST_in = _t; | 
| 167 | 
                match(_t,ENDBLOCK); | 
| 168 | 
                _t = _t->getNextSibling(); | 
| 169 | 
                _t = __t10; | 
| 170 | 
                _t = _t->getNextSibling(); | 
| 171 | 
#line 72 "MDTreeParser.g" | 
| 172 | 
                blockStack.top()->validate();blockStack.pop(); currConf->addComponent(currComponet); | 
| 173 | 
#line 174 "MDTreeParser.cpp" | 
| 174 | 
        } | 
| 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 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST moleculeblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 185 | 
         | 
| 186 | 
        try {      // for error handling | 
| 187 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t34 = _t; | 
| 188 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp4_AST_in = _t; | 
| 189 | 
                match(_t,MOLECULE); | 
| 190 | 
                _t = _t->getFirstChild(); | 
| 191 | 
#line 101 "MDTreeParser.g" | 
| 192 | 
                MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp); | 
| 193 | 
#line 194 "MDTreeParser.cpp" | 
| 194 | 
                { // ( ... )* | 
| 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 | 
                                goto _loop36; | 
| 204 | 
                        } | 
| 205 | 
                         | 
| 206 | 
                } | 
| 207 | 
                _loop36:; | 
| 208 | 
                } // ( ... )* | 
| 209 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp5_AST_in = _t; | 
| 210 | 
                match(_t,ENDBLOCK); | 
| 211 | 
                _t = _t->getNextSibling(); | 
| 212 | 
                _t = __t34; | 
| 213 | 
                _t = _t->getNextSibling(); | 
| 214 | 
#line 103 "MDTreeParser.g" | 
| 215 | 
                blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp); | 
| 216 | 
#line 217 "MDTreeParser.cpp" | 
| 217 | 
        } | 
| 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 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST zconstraintblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 228 | 
         | 
| 229 | 
        try {      // for error handling | 
| 230 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t14 = _t; | 
| 231 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp6_AST_in = _t; | 
| 232 | 
                match(_t,ZCONSTRAINT); | 
| 233 | 
                _t = _t->getFirstChild(); | 
| 234 | 
#line 75 "MDTreeParser.g" | 
| 235 | 
                ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp); | 
| 236 | 
#line 237 "MDTreeParser.cpp" | 
| 237 | 
                { // ( ... )* | 
| 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 | 
                                goto _loop16; | 
| 247 | 
                        } | 
| 248 | 
                         | 
| 249 | 
                } | 
| 250 | 
                _loop16:; | 
| 251 | 
                } // ( ... )* | 
| 252 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp7_AST_in = _t; | 
| 253 | 
                match(_t,ENDBLOCK); | 
| 254 | 
                _t = _t->getNextSibling(); | 
| 255 | 
                _t = __t14; | 
| 256 | 
                _t = _t->getNextSibling(); | 
| 257 | 
#line 77 "MDTreeParser.g" | 
| 258 | 
                blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp); | 
| 259 | 
#line 260 "MDTreeParser.cpp" | 
| 260 | 
        } | 
| 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 | 
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 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t18 = _t; | 
| 274 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp8_AST_in = _t; | 
| 275 | 
                match(_t,RESTRAINT); | 
| 276 | 
                _t = _t->getFirstChild(); | 
| 277 | 
#line 80 "MDTreeParser.g" | 
| 278 | 
                RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp); | 
| 279 | 
#line 280 "MDTreeParser.cpp" | 
| 280 | 
                { // ( ... )* | 
| 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 | 
                                goto _loop20; | 
| 290 | 
                        } | 
| 291 | 
                         | 
| 292 | 
                } | 
| 293 | 
                _loop20:; | 
| 294 | 
                } // ( ... )* | 
| 295 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST_in = _t; | 
| 296 | 
                match(_t,ENDBLOCK); | 
| 297 | 
                _t = _t->getNextSibling(); | 
| 298 | 
                _t = __t18; | 
| 299 | 
                _t = _t->getNextSibling(); | 
| 300 | 
#line 82 "MDTreeParser.g" | 
| 301 | 
                blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp); | 
| 302 | 
#line 303 "MDTreeParser.cpp" | 
| 303 | 
        } | 
| 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 | 
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 85 "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 87 "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 90 "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 92 "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 95 "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 97 "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 | 
void MDTreeParser::constant(ANTLR_USE_NAMESPACE(antlr)RefAST _t, | 
| 442 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST id | 
| 443 | 
) { | 
| 444 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST constant_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 445 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST str1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 446 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST str2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 447 | 
#line 50 "MDTreeParser.g" | 
| 448 | 
         | 
| 449 | 
        int ival; | 
| 450 | 
        RealType dval, x, y, z; | 
| 451 | 
        std::vector<RealType> dvec; | 
| 452 | 
         | 
| 453 | 
#line 454 "MDTreeParser.cpp" | 
| 454 | 
         | 
| 455 | 
        try {      // for error handling | 
| 456 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 457 | 
                        _t = ASTNULL; | 
| 458 | 
                switch ( _t->getType()) { | 
| 459 | 
                case NUM_INT: | 
| 460 | 
                case NUM_LONG: | 
| 461 | 
                { | 
| 462 | 
                        ival=intConst(_t); | 
| 463 | 
                        _t = _retTree; | 
| 464 | 
#line 56 "MDTreeParser.g" | 
| 465 | 
                        blockStack.top()->assign(id->getText(), ival); | 
| 466 | 
#line 467 "MDTreeParser.cpp" | 
| 467 | 
                        break; | 
| 468 | 
                } | 
| 469 | 
                case NUM_FLOAT: | 
| 470 | 
                case NUM_DOUBLE: | 
| 471 | 
                { | 
| 472 | 
                        dval=floatConst(_t); | 
| 473 | 
                        _t = _retTree; | 
| 474 | 
#line 57 "MDTreeParser.g" | 
| 475 | 
                        blockStack.top()->assign(id->getText(), dval); | 
| 476 | 
#line 477 "MDTreeParser.cpp" | 
| 477 | 
                        break; | 
| 478 | 
                } | 
| 479 | 
                case ID: | 
| 480 | 
                { | 
| 481 | 
                        str1 = _t; | 
| 482 | 
                        match(_t,ID); | 
| 483 | 
                        _t = _t->getNextSibling(); | 
| 484 | 
#line 58 "MDTreeParser.g" | 
| 485 | 
                        blockStack.top()->assign(id->getText(), str1->getText()); | 
| 486 | 
#line 487 "MDTreeParser.cpp" | 
| 487 | 
                        break; | 
| 488 | 
                } | 
| 489 | 
                case StringLiteral: | 
| 490 | 
                { | 
| 491 | 
                        str2 = _t; | 
| 492 | 
                        match(_t,StringLiteral); | 
| 493 | 
                        _t = _t->getNextSibling(); | 
| 494 | 
#line 59 "MDTreeParser.g" | 
| 495 | 
                        std::string s =  str2->getText(); | 
| 496 | 
                        s = s.substr(1, s.length()-2); | 
| 497 | 
                        blockStack.top()->assign(id->getText(),s); | 
| 498 | 
                         | 
| 499 | 
#line 500 "MDTreeParser.cpp" | 
| 500 | 
                        break; | 
| 501 | 
                } | 
| 502 | 
                case LPAREN: | 
| 503 | 
                { | 
| 504 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t8 = _t; | 
| 505 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST_in = _t; | 
| 506 | 
                        match(_t,LPAREN); | 
| 507 | 
                        _t = _t->getFirstChild(); | 
| 508 | 
                        dvec=doubleNumberTuple(_t); | 
| 509 | 
                        _t = _retTree; | 
| 510 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST_in = _t; | 
| 511 | 
                        match(_t,RPAREN); | 
| 512 | 
                        _t = _t->getNextSibling(); | 
| 513 | 
                        _t = __t8; | 
| 514 | 
                        _t = _t->getNextSibling(); | 
| 515 | 
#line 64 "MDTreeParser.g" | 
| 516 | 
                         | 
| 517 | 
                        blockStack.top()->assign(id->getText(), dvec); | 
| 518 | 
                         | 
| 519 | 
#line 520 "MDTreeParser.cpp" | 
| 520 | 
                        break; | 
| 521 | 
                } | 
| 522 | 
                default: | 
| 523 | 
                { | 
| 524 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 525 | 
                } | 
| 526 | 
                } | 
| 527 | 
        } | 
| 528 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 529 | 
                reportError(ex); | 
| 530 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 531 | 
                        _t = _t->getNextSibling(); | 
| 532 | 
        } | 
| 533 | 
        _retTree = _t; | 
| 534 | 
} | 
| 535 | 
 | 
| 536 | 
int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 537 | 
#line 312 "MDTreeParser.g" | 
| 538 | 
        int ival; | 
| 539 | 
#line 540 "MDTreeParser.cpp" | 
| 540 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 541 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST i1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 542 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST i2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 543 | 
         | 
| 544 | 
        try {      // for error handling | 
| 545 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 546 | 
                        _t = ASTNULL; | 
| 547 | 
                switch ( _t->getType()) { | 
| 548 | 
                case NUM_INT: | 
| 549 | 
                { | 
| 550 | 
                        i1 = _t; | 
| 551 | 
                        match(_t,NUM_INT); | 
| 552 | 
                        _t = _t->getNextSibling(); | 
| 553 | 
#line 313 "MDTreeParser.g" | 
| 554 | 
                        ival = lexi_cast<int>(i1->getText()); | 
| 555 | 
#line 556 "MDTreeParser.cpp" | 
| 556 | 
                        break; | 
| 557 | 
                } | 
| 558 | 
                case NUM_LONG: | 
| 559 | 
                { | 
| 560 | 
                        i2 = _t; | 
| 561 | 
                        match(_t,NUM_LONG); | 
| 562 | 
                        _t = _t->getNextSibling(); | 
| 563 | 
#line 314 "MDTreeParser.g" | 
| 564 | 
                        ival = lexi_cast<int>(i2->getText()); | 
| 565 | 
#line 566 "MDTreeParser.cpp" | 
| 566 | 
                        break; | 
| 567 | 
                } | 
| 568 | 
                default: | 
| 569 | 
                { | 
| 570 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 571 | 
                } | 
| 572 | 
                } | 
| 573 | 
        } | 
| 574 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 575 | 
                reportError(ex); | 
| 576 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 577 | 
                        _t = _t->getNextSibling(); | 
| 578 | 
        } | 
| 579 | 
        _retTree = _t; | 
| 580 | 
        return ival; | 
| 581 | 
} | 
| 582 | 
 | 
| 583 | 
RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 584 | 
#line 324 "MDTreeParser.g" | 
| 585 | 
        RealType dval; | 
| 586 | 
#line 587 "MDTreeParser.cpp" | 
| 587 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 588 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST d1 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 589 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST d2 = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 590 | 
         | 
| 591 | 
        try {      // for error handling | 
| 592 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 593 | 
                        _t = ASTNULL; | 
| 594 | 
                switch ( _t->getType()) { | 
| 595 | 
                case NUM_FLOAT: | 
| 596 | 
                { | 
| 597 | 
                        d1 = _t; | 
| 598 | 
                        match(_t,NUM_FLOAT); | 
| 599 | 
                        _t = _t->getNextSibling(); | 
| 600 | 
#line 325 "MDTreeParser.g" | 
| 601 | 
                        dval = lexi_cast<RealType>(d1->getText()); | 
| 602 | 
#line 603 "MDTreeParser.cpp" | 
| 603 | 
                        break; | 
| 604 | 
                } | 
| 605 | 
                case NUM_DOUBLE: | 
| 606 | 
                { | 
| 607 | 
                        d2 = _t; | 
| 608 | 
                        match(_t,NUM_DOUBLE); | 
| 609 | 
                        _t = _t->getNextSibling(); | 
| 610 | 
#line 326 "MDTreeParser.g" | 
| 611 | 
                        dval = lexi_cast<RealType>(d2->getText()); | 
| 612 | 
#line 613 "MDTreeParser.cpp" | 
| 613 | 
                        break; | 
| 614 | 
                } | 
| 615 | 
                default: | 
| 616 | 
                { | 
| 617 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 618 | 
                } | 
| 619 | 
                } | 
| 620 | 
        } | 
| 621 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 622 | 
                reportError(ex); | 
| 623 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 624 | 
                        _t = _t->getNextSibling(); | 
| 625 | 
        } | 
| 626 | 
        _retTree = _t; | 
| 627 | 
        return dval; | 
| 628 | 
} | 
| 629 | 
 | 
| 630 | 
vector<RealType>  MDTreeParser::doubleNumberTuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 631 | 
#line 296 "MDTreeParser.g" | 
| 632 | 
        vector<RealType> dvec; | 
| 633 | 
#line 634 "MDTreeParser.cpp" | 
| 634 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumberTuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 635 | 
#line 296 "MDTreeParser.g" | 
| 636 | 
         | 
| 637 | 
        RealType dval; | 
| 638 | 
         | 
| 639 | 
#line 640 "MDTreeParser.cpp" | 
| 640 | 
         | 
| 641 | 
        try {      // for error handling | 
| 642 | 
                { // ( ... )+ | 
| 643 | 
                int _cnt95=0; | 
| 644 | 
                for (;;) { | 
| 645 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 646 | 
                                _t = ASTNULL; | 
| 647 | 
                        if (((_t->getType() >= NUM_INT && _t->getType() <= NUM_DOUBLE))) { | 
| 648 | 
                                dval=doubleNumber(_t); | 
| 649 | 
                                _t = _retTree; | 
| 650 | 
#line 300 "MDTreeParser.g" | 
| 651 | 
                                dvec.push_back(dval); | 
| 652 | 
#line 653 "MDTreeParser.cpp" | 
| 653 | 
                        } | 
| 654 | 
                        else { | 
| 655 | 
                                if ( _cnt95>=1 ) { goto _loop95; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} | 
| 656 | 
                        } | 
| 657 | 
                         | 
| 658 | 
                        _cnt95++; | 
| 659 | 
                } | 
| 660 | 
                _loop95:; | 
| 661 | 
                }  // ( ... )+ | 
| 662 | 
        } | 
| 663 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 664 | 
                reportError(ex); | 
| 665 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 666 | 
                        _t = _t->getNextSibling(); | 
| 667 | 
        } | 
| 668 | 
        _retTree = _t; | 
| 669 | 
        return dvec; | 
| 670 | 
} | 
| 671 | 
 | 
| 672 | 
void MDTreeParser::moleculestatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 673 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST moleculestatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 674 | 
         | 
| 675 | 
        try {      // for error handling | 
| 676 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 677 | 
                        _t = ASTNULL; | 
| 678 | 
                switch ( _t->getType()) { | 
| 679 | 
                case ASSIGNEQUAL: | 
| 680 | 
                { | 
| 681 | 
                        assignment(_t); | 
| 682 | 
                        _t = _retTree; | 
| 683 | 
                        break; | 
| 684 | 
                } | 
| 685 | 
                case ATOM: | 
| 686 | 
                { | 
| 687 | 
                        atomblock(_t); | 
| 688 | 
                        _t = _retTree; | 
| 689 | 
                        break; | 
| 690 | 
                } | 
| 691 | 
                case BOND: | 
| 692 | 
                { | 
| 693 | 
                        bondblock(_t); | 
| 694 | 
                        _t = _retTree; | 
| 695 | 
                        break; | 
| 696 | 
                } | 
| 697 | 
                case BEND: | 
| 698 | 
                { | 
| 699 | 
                        bendblock(_t); | 
| 700 | 
                        _t = _retTree; | 
| 701 | 
                        break; | 
| 702 | 
                } | 
| 703 | 
                case TORSION: | 
| 704 | 
                { | 
| 705 | 
                        torsionblock(_t); | 
| 706 | 
                        _t = _retTree; | 
| 707 | 
                        break; | 
| 708 | 
                } | 
| 709 | 
                case INVERSION: | 
| 710 | 
                { | 
| 711 | 
                        inversionblock(_t); | 
| 712 | 
                        _t = _retTree; | 
| 713 | 
                        break; | 
| 714 | 
                } | 
| 715 | 
                case RIGIDBODY: | 
| 716 | 
                { | 
| 717 | 
                        rigidbodyblock(_t); | 
| 718 | 
                        _t = _retTree; | 
| 719 | 
                        break; | 
| 720 | 
                } | 
| 721 | 
                case CUTOFFGROUP: | 
| 722 | 
                { | 
| 723 | 
                        cutoffgroupblock(_t); | 
| 724 | 
                        _t = _retTree; | 
| 725 | 
                        break; | 
| 726 | 
                } | 
| 727 | 
                case FRAGMENT: | 
| 728 | 
                { | 
| 729 | 
                        fragmentblock(_t); | 
| 730 | 
                        _t = _retTree; | 
| 731 | 
                        break; | 
| 732 | 
                } | 
| 733 | 
                case CONSTRAINT: | 
| 734 | 
                { | 
| 735 | 
                        constraintblock(_t); | 
| 736 | 
                        _t = _retTree; | 
| 737 | 
                        break; | 
| 738 | 
                } | 
| 739 | 
                default: | 
| 740 | 
                { | 
| 741 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 742 | 
                } | 
| 743 | 
                } | 
| 744 | 
        } | 
| 745 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 746 | 
                reportError(ex); | 
| 747 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 748 | 
                        _t = _t->getNextSibling(); | 
| 749 | 
        } | 
| 750 | 
        _retTree = _t; | 
| 751 | 
} | 
| 752 | 
 | 
| 753 | 
void MDTreeParser::atomblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 754 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 755 | 
#line 118 "MDTreeParser.g" | 
| 756 | 
         | 
| 757 | 
        int index; | 
| 758 | 
         | 
| 759 | 
#line 760 "MDTreeParser.cpp" | 
| 760 | 
         | 
| 761 | 
        try {      // for error handling | 
| 762 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t39 = _t; | 
| 763 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST_in = _t; | 
| 764 | 
                match(_t,ATOM); | 
| 765 | 
                _t = _t->getFirstChild(); | 
| 766 | 
                index=intConst(_t); | 
| 767 | 
                _t = _retTree; | 
| 768 | 
#line 122 "MDTreeParser.g" | 
| 769 | 
                AtomStamp* currAtomStamp = new AtomStamp(index); blockStack.push(currAtomStamp); | 
| 770 | 
#line 771 "MDTreeParser.cpp" | 
| 771 | 
                { // ( ... )* | 
| 772 | 
                for (;;) { | 
| 773 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 774 | 
                                _t = ASTNULL; | 
| 775 | 
                        if ((_t->getType() == POSITION || _t->getType() == ORIENTATION || _t->getType() == ASSIGNEQUAL)) { | 
| 776 | 
                                atomstatement(_t); | 
| 777 | 
                                _t = _retTree; | 
| 778 | 
                        } | 
| 779 | 
                        else { | 
| 780 | 
                                goto _loop41; | 
| 781 | 
                        } | 
| 782 | 
                         | 
| 783 | 
                } | 
| 784 | 
                _loop41:; | 
| 785 | 
                } // ( ... )* | 
| 786 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST_in = _t; | 
| 787 | 
                match(_t,ENDBLOCK); | 
| 788 | 
                _t = _t->getNextSibling(); | 
| 789 | 
                _t = __t39; | 
| 790 | 
                _t = _t->getNextSibling(); | 
| 791 | 
#line 124 "MDTreeParser.g" | 
| 792 | 
                 | 
| 793 | 
                blockStack.top()->validate(); | 
| 794 | 
                blockStack.pop();  | 
| 795 | 
                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 796 | 
                currMoleculeStamp->addAtomStamp(currAtomStamp);  | 
| 797 | 
                 | 
| 798 | 
#line 799 "MDTreeParser.cpp" | 
| 799 | 
        } | 
| 800 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 801 | 
                reportError(ex); | 
| 802 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 803 | 
                        _t = _t->getNextSibling(); | 
| 804 | 
        } | 
| 805 | 
        _retTree = _t; | 
| 806 | 
} | 
| 807 | 
 | 
| 808 | 
void MDTreeParser::bondblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 809 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 810 | 
         | 
| 811 | 
        try {      // for error handling | 
| 812 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t46 = _t; | 
| 813 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST_in = _t; | 
| 814 | 
                match(_t,BOND); | 
| 815 | 
                _t = _t->getFirstChild(); | 
| 816 | 
#line 144 "MDTreeParser.g" | 
| 817 | 
                BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp); | 
| 818 | 
#line 819 "MDTreeParser.cpp" | 
| 819 | 
                { // ( ... )* | 
| 820 | 
                for (;;) { | 
| 821 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 822 | 
                                _t = ASTNULL; | 
| 823 | 
                        if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 824 | 
                                bondstatement(_t); | 
| 825 | 
                                _t = _retTree; | 
| 826 | 
                        } | 
| 827 | 
                        else { | 
| 828 | 
                                goto _loop48; | 
| 829 | 
                        } | 
| 830 | 
                         | 
| 831 | 
                } | 
| 832 | 
                _loop48:; | 
| 833 | 
                } // ( ... )* | 
| 834 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST_in = _t; | 
| 835 | 
                match(_t,ENDBLOCK); | 
| 836 | 
                _t = _t->getNextSibling(); | 
| 837 | 
                _t = __t46; | 
| 838 | 
                _t = _t->getNextSibling(); | 
| 839 | 
#line 146 "MDTreeParser.g" | 
| 840 | 
                 | 
| 841 | 
                blockStack.pop();  | 
| 842 | 
                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 843 | 
                currMoleculeStamp->addBondStamp(currBondStamp);  | 
| 844 | 
                 | 
| 845 | 
#line 846 "MDTreeParser.cpp" | 
| 846 | 
        } | 
| 847 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 848 | 
                reportError(ex); | 
| 849 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 850 | 
                        _t = _t->getNextSibling(); | 
| 851 | 
        } | 
| 852 | 
        _retTree = _t; | 
| 853 | 
} | 
| 854 | 
 | 
| 855 | 
void MDTreeParser::bendblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 856 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 857 | 
         | 
| 858 | 
        try {      // for error handling | 
| 859 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t52 = _t; | 
| 860 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST_in = _t; | 
| 861 | 
                match(_t,BEND); | 
| 862 | 
                _t = _t->getFirstChild(); | 
| 863 | 
#line 162 "MDTreeParser.g" | 
| 864 | 
                BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp); | 
| 865 | 
#line 866 "MDTreeParser.cpp" | 
| 866 | 
                { // ( ... )* | 
| 867 | 
                for (;;) { | 
| 868 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 869 | 
                                _t = ASTNULL; | 
| 870 | 
                        if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 871 | 
                                bendstatement(_t); | 
| 872 | 
                                _t = _retTree; | 
| 873 | 
                        } | 
| 874 | 
                        else { | 
| 875 | 
                                goto _loop54; | 
| 876 | 
                        } | 
| 877 | 
                         | 
| 878 | 
                } | 
| 879 | 
                _loop54:; | 
| 880 | 
                } // ( ... )* | 
| 881 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST_in = _t; | 
| 882 | 
                match(_t,ENDBLOCK); | 
| 883 | 
                _t = _t->getNextSibling(); | 
| 884 | 
                _t = __t52; | 
| 885 | 
                _t = _t->getNextSibling(); | 
| 886 | 
#line 164 "MDTreeParser.g" | 
| 887 | 
                 | 
| 888 | 
                blockStack.top()->validate(); | 
| 889 | 
                blockStack.pop();  | 
| 890 | 
                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 891 | 
                currMoleculeStamp->addBendStamp(currBendStamp);  | 
| 892 | 
                 | 
| 893 | 
#line 894 "MDTreeParser.cpp" | 
| 894 | 
        } | 
| 895 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 896 | 
                reportError(ex); | 
| 897 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 898 | 
                        _t = _t->getNextSibling(); | 
| 899 | 
        } | 
| 900 | 
        _retTree = _t; | 
| 901 | 
} | 
| 902 | 
 | 
| 903 | 
void MDTreeParser::torsionblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 904 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 905 | 
         | 
| 906 | 
        try {      // for error handling | 
| 907 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t58 = _t; | 
| 908 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST_in = _t; | 
| 909 | 
                match(_t,TORSION); | 
| 910 | 
                _t = _t->getFirstChild(); | 
| 911 | 
#line 181 "MDTreeParser.g" | 
| 912 | 
                TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp); | 
| 913 | 
#line 914 "MDTreeParser.cpp" | 
| 914 | 
                { // ( ... )* | 
| 915 | 
                for (;;) { | 
| 916 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 917 | 
                                _t = ASTNULL; | 
| 918 | 
                        if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 919 | 
                                torsionstatement(_t); | 
| 920 | 
                                _t = _retTree; | 
| 921 | 
                        } | 
| 922 | 
                        else { | 
| 923 | 
                                goto _loop60; | 
| 924 | 
                        } | 
| 925 | 
                         | 
| 926 | 
                } | 
| 927 | 
                _loop60:; | 
| 928 | 
                } // ( ... )* | 
| 929 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST_in = _t; | 
| 930 | 
                match(_t,ENDBLOCK); | 
| 931 | 
                _t = _t->getNextSibling(); | 
| 932 | 
                _t = __t58; | 
| 933 | 
                _t = _t->getNextSibling(); | 
| 934 | 
#line 183 "MDTreeParser.g" | 
| 935 | 
                 | 
| 936 | 
                blockStack.top()->validate(); | 
| 937 | 
                blockStack.pop();  | 
| 938 | 
                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 939 | 
                currMoleculeStamp->addTorsionStamp(currTorsionStamp);  | 
| 940 | 
                 | 
| 941 | 
#line 942 "MDTreeParser.cpp" | 
| 942 | 
        } | 
| 943 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 944 | 
                reportError(ex); | 
| 945 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 946 | 
                        _t = _t->getNextSibling(); | 
| 947 | 
        } | 
| 948 | 
        _retTree = _t; | 
| 949 | 
} | 
| 950 | 
 | 
| 951 | 
void MDTreeParser::inversionblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 952 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 953 | 
         | 
| 954 | 
        try {      // for error handling | 
| 955 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t64 = _t; | 
| 956 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST_in = _t; | 
| 957 | 
                match(_t,INVERSION); | 
| 958 | 
                _t = _t->getFirstChild(); | 
| 959 | 
#line 200 "MDTreeParser.g" | 
| 960 | 
                InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp); | 
| 961 | 
#line 962 "MDTreeParser.cpp" | 
| 962 | 
                { // ( ... )* | 
| 963 | 
                for (;;) { | 
| 964 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 965 | 
                                _t = ASTNULL; | 
| 966 | 
                        if ((_t->getType() == CENTER || _t->getType() == SATELLITES || _t->getType() == ASSIGNEQUAL)) { | 
| 967 | 
                                inversionstatement(_t); | 
| 968 | 
                                _t = _retTree; | 
| 969 | 
                        } | 
| 970 | 
                        else { | 
| 971 | 
                                goto _loop66; | 
| 972 | 
                        } | 
| 973 | 
                         | 
| 974 | 
                } | 
| 975 | 
                _loop66:; | 
| 976 | 
                } // ( ... )* | 
| 977 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST_in = _t; | 
| 978 | 
                match(_t,ENDBLOCK); | 
| 979 | 
                _t = _t->getNextSibling(); | 
| 980 | 
                _t = __t64; | 
| 981 | 
                _t = _t->getNextSibling(); | 
| 982 | 
#line 202 "MDTreeParser.g" | 
| 983 | 
                 | 
| 984 | 
                blockStack.top()->validate(); | 
| 985 | 
                blockStack.pop();  | 
| 986 | 
                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 987 | 
                currMoleculeStamp->addInversionStamp(currInversionStamp);  | 
| 988 | 
                 | 
| 989 | 
#line 990 "MDTreeParser.cpp" | 
| 990 | 
        } | 
| 991 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 992 | 
                reportError(ex); | 
| 993 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 994 | 
                        _t = _t->getNextSibling(); | 
| 995 | 
        } | 
| 996 | 
        _retTree = _t; | 
| 997 | 
} | 
| 998 | 
 | 
| 999 | 
void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1000 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1001 | 
#line 221 "MDTreeParser.g" | 
| 1002 | 
         | 
| 1003 | 
        int index; | 
| 1004 | 
         | 
| 1005 | 
#line 1006 "MDTreeParser.cpp" | 
| 1006 | 
         | 
| 1007 | 
        try {      // for error handling | 
| 1008 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t71 = _t; | 
| 1009 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST_in = _t; | 
| 1010 | 
                match(_t,RIGIDBODY); | 
| 1011 | 
                _t = _t->getFirstChild(); | 
| 1012 | 
                index=intConst(_t); | 
| 1013 | 
                _t = _retTree; | 
| 1014 | 
#line 225 "MDTreeParser.g" | 
| 1015 | 
                RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp); | 
| 1016 | 
#line 1017 "MDTreeParser.cpp" | 
| 1017 | 
                { // ( ... )* | 
| 1018 | 
                for (;;) { | 
| 1019 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1020 | 
                                _t = ASTNULL; | 
| 1021 | 
                        if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 1022 | 
                                rigidbodystatement(_t); | 
| 1023 | 
                                _t = _retTree; | 
| 1024 | 
                        } | 
| 1025 | 
                        else { | 
| 1026 | 
                                goto _loop73; | 
| 1027 | 
                        } | 
| 1028 | 
                         | 
| 1029 | 
                } | 
| 1030 | 
                _loop73:; | 
| 1031 | 
                } // ( ... )* | 
| 1032 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST_in = _t; | 
| 1033 | 
                match(_t,ENDBLOCK); | 
| 1034 | 
                _t = _t->getNextSibling(); | 
| 1035 | 
                _t = __t71; | 
| 1036 | 
                _t = _t->getNextSibling(); | 
| 1037 | 
#line 227 "MDTreeParser.g" | 
| 1038 | 
                 | 
| 1039 | 
                blockStack.top()->validate(); | 
| 1040 | 
                blockStack.pop();  | 
| 1041 | 
                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 1042 | 
                currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp);  | 
| 1043 | 
                 | 
| 1044 | 
#line 1045 "MDTreeParser.cpp" | 
| 1045 | 
        } | 
| 1046 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1047 | 
                reportError(ex); | 
| 1048 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1049 | 
                        _t = _t->getNextSibling(); | 
| 1050 | 
        } | 
| 1051 | 
        _retTree = _t; | 
| 1052 | 
} | 
| 1053 | 
 | 
| 1054 | 
void MDTreeParser::cutoffgroupblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1055 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1056 | 
         | 
| 1057 | 
        try {      // for error handling | 
| 1058 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t77 = _t; | 
| 1059 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST_in = _t; | 
| 1060 | 
                match(_t,CUTOFFGROUP); | 
| 1061 | 
                _t = _t->getFirstChild(); | 
| 1062 | 
#line 244 "MDTreeParser.g" | 
| 1063 | 
                CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp); | 
| 1064 | 
#line 1065 "MDTreeParser.cpp" | 
| 1065 | 
                { // ( ... )* | 
| 1066 | 
                for (;;) { | 
| 1067 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1068 | 
                                _t = ASTNULL; | 
| 1069 | 
                        if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 1070 | 
                                cutoffgroupstatement(_t); | 
| 1071 | 
                                _t = _retTree; | 
| 1072 | 
                        } | 
| 1073 | 
                        else { | 
| 1074 | 
                                goto _loop79; | 
| 1075 | 
                        } | 
| 1076 | 
                         | 
| 1077 | 
                } | 
| 1078 | 
                _loop79:; | 
| 1079 | 
                } // ( ... )* | 
| 1080 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST_in = _t; | 
| 1081 | 
                match(_t,ENDBLOCK); | 
| 1082 | 
                _t = _t->getNextSibling(); | 
| 1083 | 
                _t = __t77; | 
| 1084 | 
                _t = _t->getNextSibling(); | 
| 1085 | 
#line 246 "MDTreeParser.g" | 
| 1086 | 
                 | 
| 1087 | 
                blockStack.top()->validate(); | 
| 1088 | 
                blockStack.pop();  | 
| 1089 | 
                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 1090 | 
                currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp);  | 
| 1091 | 
                 | 
| 1092 | 
#line 1093 "MDTreeParser.cpp" | 
| 1093 | 
        } | 
| 1094 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1095 | 
                reportError(ex); | 
| 1096 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1097 | 
                        _t = _t->getNextSibling(); | 
| 1098 | 
        } | 
| 1099 | 
        _retTree = _t; | 
| 1100 | 
} | 
| 1101 | 
 | 
| 1102 | 
void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1103 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1104 | 
#line 263 "MDTreeParser.g" | 
| 1105 | 
        int ival; | 
| 1106 | 
#line 1107 "MDTreeParser.cpp" | 
| 1107 | 
         | 
| 1108 | 
        try {      // for error handling | 
| 1109 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t83 = _t; | 
| 1110 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST_in = _t; | 
| 1111 | 
                match(_t,FRAGMENT); | 
| 1112 | 
                _t = _t->getFirstChild(); | 
| 1113 | 
                ival=intConst(_t); | 
| 1114 | 
                _t = _retTree; | 
| 1115 | 
#line 264 "MDTreeParser.g" | 
| 1116 | 
                FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp); | 
| 1117 | 
#line 1118 "MDTreeParser.cpp" | 
| 1118 | 
                { // ( ... )* | 
| 1119 | 
                for (;;) { | 
| 1120 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1121 | 
                                _t = ASTNULL; | 
| 1122 | 
                        if ((_t->getType() == ASSIGNEQUAL)) { | 
| 1123 | 
                                fragmentstatement(_t); | 
| 1124 | 
                                _t = _retTree; | 
| 1125 | 
                        } | 
| 1126 | 
                        else { | 
| 1127 | 
                                goto _loop85; | 
| 1128 | 
                        } | 
| 1129 | 
                         | 
| 1130 | 
                } | 
| 1131 | 
                _loop85:; | 
| 1132 | 
                } // ( ... )* | 
| 1133 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST_in = _t; | 
| 1134 | 
                match(_t,ENDBLOCK); | 
| 1135 | 
                _t = _t->getNextSibling(); | 
| 1136 | 
                _t = __t83; | 
| 1137 | 
                _t = _t->getNextSibling(); | 
| 1138 | 
#line 266 "MDTreeParser.g" | 
| 1139 | 
                 | 
| 1140 | 
                blockStack.top()->validate(); | 
| 1141 | 
                blockStack.pop();  | 
| 1142 | 
                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 1143 | 
                currMoleculeStamp->addFragmentStamp(currFragmentStamp);  | 
| 1144 | 
                 | 
| 1145 | 
#line 1146 "MDTreeParser.cpp" | 
| 1146 | 
        } | 
| 1147 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1148 | 
                reportError(ex); | 
| 1149 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1150 | 
                        _t = _t->getNextSibling(); | 
| 1151 | 
        } | 
| 1152 | 
        _retTree = _t; | 
| 1153 | 
} | 
| 1154 | 
 | 
| 1155 | 
void MDTreeParser::constraintblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1156 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST constraintblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1157 | 
         | 
| 1158 | 
        try {      // for error handling | 
| 1159 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST __t88 = _t; | 
| 1160 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST_in = _t; | 
| 1161 | 
                match(_t,CONSTRAINT); | 
| 1162 | 
                _t = _t->getFirstChild(); | 
| 1163 | 
#line 277 "MDTreeParser.g" | 
| 1164 | 
                ConstraintStamp* currConstraintStamp = new ConstraintStamp(); blockStack.push(currConstraintStamp); | 
| 1165 | 
#line 1166 "MDTreeParser.cpp" | 
| 1166 | 
                { // ( ... )* | 
| 1167 | 
                for (;;) { | 
| 1168 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1169 | 
                                _t = ASTNULL; | 
| 1170 | 
                        if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) { | 
| 1171 | 
                                constraintstatement(_t); | 
| 1172 | 
                                _t = _retTree; | 
| 1173 | 
                        } | 
| 1174 | 
                        else { | 
| 1175 | 
                                goto _loop90; | 
| 1176 | 
                        } | 
| 1177 | 
                         | 
| 1178 | 
                } | 
| 1179 | 
                _loop90:; | 
| 1180 | 
                } // ( ... )* | 
| 1181 | 
                ANTLR_USE_NAMESPACE(antlr)RefAST tmp35_AST_in = _t; | 
| 1182 | 
                match(_t,ENDBLOCK); | 
| 1183 | 
                _t = _t->getNextSibling(); | 
| 1184 | 
                _t = __t88; | 
| 1185 | 
                _t = _t->getNextSibling(); | 
| 1186 | 
#line 279 "MDTreeParser.g" | 
| 1187 | 
                 | 
| 1188 | 
                blockStack.pop();  | 
| 1189 | 
                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); | 
| 1190 | 
                currMoleculeStamp->addConstraintStamp(currConstraintStamp);  | 
| 1191 | 
                 | 
| 1192 | 
#line 1193 "MDTreeParser.cpp" | 
| 1193 | 
        } | 
| 1194 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1195 | 
                reportError(ex); | 
| 1196 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1197 | 
                        _t = _t->getNextSibling(); | 
| 1198 | 
        } | 
| 1199 | 
        _retTree = _t; | 
| 1200 | 
} | 
| 1201 | 
 | 
| 1202 | 
void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1203 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST atomstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1204 | 
#line 132 "MDTreeParser.g" | 
| 1205 | 
         | 
| 1206 | 
        vector<RealType> dvec; | 
| 1207 | 
        AtomStamp* currAtomStamp =  static_cast<AtomStamp*>(blockStack.top()); | 
| 1208 | 
         | 
| 1209 | 
         | 
| 1210 | 
#line 1211 "MDTreeParser.cpp" | 
| 1211 | 
         | 
| 1212 | 
        try {      // for error handling | 
| 1213 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1214 | 
                        _t = ASTNULL; | 
| 1215 | 
                switch ( _t->getType()) { | 
| 1216 | 
                case ASSIGNEQUAL: | 
| 1217 | 
                { | 
| 1218 | 
                        assignment(_t); | 
| 1219 | 
                        _t = _retTree; | 
| 1220 | 
                        break; | 
| 1221 | 
                } | 
| 1222 | 
                case POSITION: | 
| 1223 | 
                { | 
| 1224 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t43 = _t; | 
| 1225 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp36_AST_in = _t; | 
| 1226 | 
                        match(_t,POSITION); | 
| 1227 | 
                        _t = _t->getFirstChild(); | 
| 1228 | 
                        dvec=doubleNumberTuple(_t); | 
| 1229 | 
                        _t = _retTree; | 
| 1230 | 
                        _t = __t43; | 
| 1231 | 
                        _t = _t->getNextSibling(); | 
| 1232 | 
#line 139 "MDTreeParser.g" | 
| 1233 | 
                        currAtomStamp->setPosition(dvec); | 
| 1234 | 
#line 1235 "MDTreeParser.cpp" | 
| 1235 | 
                        break; | 
| 1236 | 
                } | 
| 1237 | 
                case ORIENTATION: | 
| 1238 | 
                { | 
| 1239 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t44 = _t; | 
| 1240 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp37_AST_in = _t; | 
| 1241 | 
                        match(_t,ORIENTATION); | 
| 1242 | 
                        _t = _t->getFirstChild(); | 
| 1243 | 
                        dvec=doubleNumberTuple(_t); | 
| 1244 | 
                        _t = _retTree; | 
| 1245 | 
                        _t = __t44; | 
| 1246 | 
                        _t = _t->getNextSibling(); | 
| 1247 | 
#line 140 "MDTreeParser.g" | 
| 1248 | 
                        currAtomStamp->setOrientation(dvec); | 
| 1249 | 
#line 1250 "MDTreeParser.cpp" | 
| 1250 | 
                        break; | 
| 1251 | 
                } | 
| 1252 | 
                default: | 
| 1253 | 
                { | 
| 1254 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1255 | 
                } | 
| 1256 | 
                } | 
| 1257 | 
        } | 
| 1258 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1259 | 
                reportError(ex); | 
| 1260 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1261 | 
                        _t = _t->getNextSibling(); | 
| 1262 | 
        } | 
| 1263 | 
        _retTree = _t; | 
| 1264 | 
} | 
| 1265 | 
 | 
| 1266 | 
void MDTreeParser::bondstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1267 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST bondstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1268 | 
#line 153 "MDTreeParser.g" | 
| 1269 | 
         | 
| 1270 | 
        vector<int> ivec; | 
| 1271 | 
        BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top()); | 
| 1272 | 
         | 
| 1273 | 
#line 1274 "MDTreeParser.cpp" | 
| 1274 | 
         | 
| 1275 | 
        try {      // for error handling | 
| 1276 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1277 | 
                        _t = ASTNULL; | 
| 1278 | 
                switch ( _t->getType()) { | 
| 1279 | 
                case ASSIGNEQUAL: | 
| 1280 | 
                { | 
| 1281 | 
                        assignment(_t); | 
| 1282 | 
                        _t = _retTree; | 
| 1283 | 
                        break; | 
| 1284 | 
                } | 
| 1285 | 
                case MEMBERS: | 
| 1286 | 
                { | 
| 1287 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t50 = _t; | 
| 1288 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST_in = _t; | 
| 1289 | 
                        match(_t,MEMBERS); | 
| 1290 | 
                        _t = _t->getFirstChild(); | 
| 1291 | 
                        ivec=inttuple(_t); | 
| 1292 | 
                        _t = _retTree; | 
| 1293 | 
                        _t = __t50; | 
| 1294 | 
                        _t = _t->getNextSibling(); | 
| 1295 | 
#line 159 "MDTreeParser.g" | 
| 1296 | 
                        currBondStamp->setMembers(ivec); | 
| 1297 | 
#line 1298 "MDTreeParser.cpp" | 
| 1298 | 
                        break; | 
| 1299 | 
                } | 
| 1300 | 
                default: | 
| 1301 | 
                { | 
| 1302 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1303 | 
                } | 
| 1304 | 
                } | 
| 1305 | 
        } | 
| 1306 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1307 | 
                reportError(ex); | 
| 1308 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1309 | 
                        _t = _t->getNextSibling(); | 
| 1310 | 
        } | 
| 1311 | 
        _retTree = _t; | 
| 1312 | 
} | 
| 1313 | 
 | 
| 1314 | 
vector<int>  MDTreeParser::inttuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1315 | 
#line 304 "MDTreeParser.g" | 
| 1316 | 
        vector<int> ivec; | 
| 1317 | 
#line 1318 "MDTreeParser.cpp" | 
| 1318 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST inttuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1319 | 
#line 304 "MDTreeParser.g" | 
| 1320 | 
         | 
| 1321 | 
        int ival; | 
| 1322 | 
         | 
| 1323 | 
#line 1324 "MDTreeParser.cpp" | 
| 1324 | 
         | 
| 1325 | 
        try {      // for error handling | 
| 1326 | 
                { // ( ... )+ | 
| 1327 | 
                int _cnt98=0; | 
| 1328 | 
                for (;;) { | 
| 1329 | 
                        if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1330 | 
                                _t = ASTNULL; | 
| 1331 | 
                        if ((_t->getType() == NUM_INT || _t->getType() == NUM_LONG)) { | 
| 1332 | 
                                ival=intConst(_t); | 
| 1333 | 
                                _t = _retTree; | 
| 1334 | 
#line 308 "MDTreeParser.g" | 
| 1335 | 
                                ivec.push_back(ival); | 
| 1336 | 
#line 1337 "MDTreeParser.cpp" | 
| 1337 | 
                        } | 
| 1338 | 
                        else { | 
| 1339 | 
                                if ( _cnt98>=1 ) { goto _loop98; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} | 
| 1340 | 
                        } | 
| 1341 | 
                         | 
| 1342 | 
                        _cnt98++; | 
| 1343 | 
                } | 
| 1344 | 
                _loop98:; | 
| 1345 | 
                }  // ( ... )+ | 
| 1346 | 
        } | 
| 1347 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1348 | 
                reportError(ex); | 
| 1349 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1350 | 
                        _t = _t->getNextSibling(); | 
| 1351 | 
        } | 
| 1352 | 
        _retTree = _t; | 
| 1353 | 
        return ivec; | 
| 1354 | 
} | 
| 1355 | 
 | 
| 1356 | 
void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1357 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST bendstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1358 | 
#line 172 "MDTreeParser.g" | 
| 1359 | 
         | 
| 1360 | 
        vector<int> ivec; | 
| 1361 | 
        BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top()); | 
| 1362 | 
         | 
| 1363 | 
#line 1364 "MDTreeParser.cpp" | 
| 1364 | 
         | 
| 1365 | 
        try {      // for error handling | 
| 1366 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1367 | 
                        _t = ASTNULL; | 
| 1368 | 
                switch ( _t->getType()) { | 
| 1369 | 
                case ASSIGNEQUAL: | 
| 1370 | 
                { | 
| 1371 | 
                        assignment(_t); | 
| 1372 | 
                        _t = _retTree; | 
| 1373 | 
                        break; | 
| 1374 | 
                } | 
| 1375 | 
                case MEMBERS: | 
| 1376 | 
                { | 
| 1377 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t56 = _t; | 
| 1378 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST_in = _t; | 
| 1379 | 
                        match(_t,MEMBERS); | 
| 1380 | 
                        _t = _t->getFirstChild(); | 
| 1381 | 
                        ivec=inttuple(_t); | 
| 1382 | 
                        _t = _retTree; | 
| 1383 | 
                        _t = __t56; | 
| 1384 | 
                        _t = _t->getNextSibling(); | 
| 1385 | 
#line 178 "MDTreeParser.g" | 
| 1386 | 
                        currBendStamp->setMembers(ivec); | 
| 1387 | 
#line 1388 "MDTreeParser.cpp" | 
| 1388 | 
                        break; | 
| 1389 | 
                } | 
| 1390 | 
                default: | 
| 1391 | 
                { | 
| 1392 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1393 | 
                } | 
| 1394 | 
                } | 
| 1395 | 
        } | 
| 1396 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1397 | 
                reportError(ex); | 
| 1398 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1399 | 
                        _t = _t->getNextSibling(); | 
| 1400 | 
        } | 
| 1401 | 
        _retTree = _t; | 
| 1402 | 
} | 
| 1403 | 
 | 
| 1404 | 
void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1405 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST torsionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1406 | 
#line 191 "MDTreeParser.g" | 
| 1407 | 
         | 
| 1408 | 
        vector<int> ivec; | 
| 1409 | 
        TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top()); | 
| 1410 | 
         | 
| 1411 | 
#line 1412 "MDTreeParser.cpp" | 
| 1412 | 
         | 
| 1413 | 
        try {      // for error handling | 
| 1414 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1415 | 
                        _t = ASTNULL; | 
| 1416 | 
                switch ( _t->getType()) { | 
| 1417 | 
                case ASSIGNEQUAL: | 
| 1418 | 
                { | 
| 1419 | 
                        assignment(_t); | 
| 1420 | 
                        _t = _retTree; | 
| 1421 | 
                        break; | 
| 1422 | 
                } | 
| 1423 | 
                case MEMBERS: | 
| 1424 | 
                { | 
| 1425 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t62 = _t; | 
| 1426 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST_in = _t; | 
| 1427 | 
                        match(_t,MEMBERS); | 
| 1428 | 
                        _t = _t->getFirstChild(); | 
| 1429 | 
                        ivec=inttuple(_t); | 
| 1430 | 
                        _t = _retTree; | 
| 1431 | 
                        _t = __t62; | 
| 1432 | 
                        _t = _t->getNextSibling(); | 
| 1433 | 
#line 197 "MDTreeParser.g" | 
| 1434 | 
                        currTorsionStamp->setMembers(ivec); | 
| 1435 | 
#line 1436 "MDTreeParser.cpp" | 
| 1436 | 
                        break; | 
| 1437 | 
                } | 
| 1438 | 
                default: | 
| 1439 | 
                { | 
| 1440 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1441 | 
                } | 
| 1442 | 
                } | 
| 1443 | 
        } | 
| 1444 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1445 | 
                reportError(ex); | 
| 1446 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1447 | 
                        _t = _t->getNextSibling(); | 
| 1448 | 
        } | 
| 1449 | 
        _retTree = _t; | 
| 1450 | 
} | 
| 1451 | 
 | 
| 1452 | 
void MDTreeParser::inversionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1453 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST inversionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1454 | 
#line 210 "MDTreeParser.g" | 
| 1455 | 
         | 
| 1456 | 
        int icent; | 
| 1457 | 
        vector<int> ivec; | 
| 1458 | 
        InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top()); | 
| 1459 | 
         | 
| 1460 | 
#line 1461 "MDTreeParser.cpp" | 
| 1461 | 
         | 
| 1462 | 
        try {      // for error handling | 
| 1463 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1464 | 
                        _t = ASTNULL; | 
| 1465 | 
                switch ( _t->getType()) { | 
| 1466 | 
                case ASSIGNEQUAL: | 
| 1467 | 
                { | 
| 1468 | 
                        assignment(_t); | 
| 1469 | 
                        _t = _retTree; | 
| 1470 | 
                        break; | 
| 1471 | 
                } | 
| 1472 | 
                case CENTER: | 
| 1473 | 
                { | 
| 1474 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t68 = _t; | 
| 1475 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp41_AST_in = _t; | 
| 1476 | 
                        match(_t,CENTER); | 
| 1477 | 
                        _t = _t->getFirstChild(); | 
| 1478 | 
                        icent=intConst(_t); | 
| 1479 | 
                        _t = _retTree; | 
| 1480 | 
                        _t = __t68; | 
| 1481 | 
                        _t = _t->getNextSibling(); | 
| 1482 | 
#line 217 "MDTreeParser.g" | 
| 1483 | 
                        currInversionStamp->setCenter(icent); | 
| 1484 | 
#line 1485 "MDTreeParser.cpp" | 
| 1485 | 
                        break; | 
| 1486 | 
                } | 
| 1487 | 
                case SATELLITES: | 
| 1488 | 
                { | 
| 1489 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t69 = _t; | 
| 1490 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST_in = _t; | 
| 1491 | 
                        match(_t,SATELLITES); | 
| 1492 | 
                        _t = _t->getFirstChild(); | 
| 1493 | 
                        ivec=inttuple(_t); | 
| 1494 | 
                        _t = _retTree; | 
| 1495 | 
                        _t = __t69; | 
| 1496 | 
                        _t = _t->getNextSibling(); | 
| 1497 | 
#line 218 "MDTreeParser.g" | 
| 1498 | 
                        currInversionStamp->setSatellites(ivec); | 
| 1499 | 
#line 1500 "MDTreeParser.cpp" | 
| 1500 | 
                        break; | 
| 1501 | 
                } | 
| 1502 | 
                default: | 
| 1503 | 
                { | 
| 1504 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1505 | 
                } | 
| 1506 | 
                } | 
| 1507 | 
        } | 
| 1508 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1509 | 
                reportError(ex); | 
| 1510 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1511 | 
                        _t = _t->getNextSibling(); | 
| 1512 | 
        } | 
| 1513 | 
        _retTree = _t; | 
| 1514 | 
} | 
| 1515 | 
 | 
| 1516 | 
void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1517 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodystatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1518 | 
#line 235 "MDTreeParser.g" | 
| 1519 | 
         | 
| 1520 | 
        vector<int> ivec; | 
| 1521 | 
        RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top()); | 
| 1522 | 
         | 
| 1523 | 
#line 1524 "MDTreeParser.cpp" | 
| 1524 | 
         | 
| 1525 | 
        try {      // for error handling | 
| 1526 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1527 | 
                        _t = ASTNULL; | 
| 1528 | 
                switch ( _t->getType()) { | 
| 1529 | 
                case ASSIGNEQUAL: | 
| 1530 | 
                { | 
| 1531 | 
                        assignment(_t); | 
| 1532 | 
                        _t = _retTree; | 
| 1533 | 
                        break; | 
| 1534 | 
                } | 
| 1535 | 
                case MEMBERS: | 
| 1536 | 
                { | 
| 1537 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t75 = _t; | 
| 1538 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST_in = _t; | 
| 1539 | 
                        match(_t,MEMBERS); | 
| 1540 | 
                        _t = _t->getFirstChild(); | 
| 1541 | 
                        ivec=inttuple(_t); | 
| 1542 | 
                        _t = _retTree; | 
| 1543 | 
                        _t = __t75; | 
| 1544 | 
                        _t = _t->getNextSibling(); | 
| 1545 | 
#line 241 "MDTreeParser.g" | 
| 1546 | 
                        currRigidBodyStamp->setMembers(ivec); | 
| 1547 | 
#line 1548 "MDTreeParser.cpp" | 
| 1548 | 
                        break; | 
| 1549 | 
                } | 
| 1550 | 
                default: | 
| 1551 | 
                { | 
| 1552 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1553 | 
                } | 
| 1554 | 
                } | 
| 1555 | 
        } | 
| 1556 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1557 | 
                reportError(ex); | 
| 1558 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1559 | 
                        _t = _t->getNextSibling(); | 
| 1560 | 
        } | 
| 1561 | 
        _retTree = _t; | 
| 1562 | 
} | 
| 1563 | 
 | 
| 1564 | 
void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1565 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1566 | 
#line 254 "MDTreeParser.g" | 
| 1567 | 
         | 
| 1568 | 
        vector<int> ivec; | 
| 1569 | 
        CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top()); | 
| 1570 | 
         | 
| 1571 | 
#line 1572 "MDTreeParser.cpp" | 
| 1572 | 
         | 
| 1573 | 
        try {      // for error handling | 
| 1574 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1575 | 
                        _t = ASTNULL; | 
| 1576 | 
                switch ( _t->getType()) { | 
| 1577 | 
                case ASSIGNEQUAL: | 
| 1578 | 
                { | 
| 1579 | 
                        assignment(_t); | 
| 1580 | 
                        _t = _retTree; | 
| 1581 | 
                        break; | 
| 1582 | 
                } | 
| 1583 | 
                case MEMBERS: | 
| 1584 | 
                { | 
| 1585 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t81 = _t; | 
| 1586 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST_in = _t; | 
| 1587 | 
                        match(_t,MEMBERS); | 
| 1588 | 
                        _t = _t->getFirstChild(); | 
| 1589 | 
                        ivec=inttuple(_t); | 
| 1590 | 
                        _t = _retTree; | 
| 1591 | 
                        _t = __t81; | 
| 1592 | 
                        _t = _t->getNextSibling(); | 
| 1593 | 
#line 260 "MDTreeParser.g" | 
| 1594 | 
                        currCutoffGroupStamp->setMembers(ivec); | 
| 1595 | 
#line 1596 "MDTreeParser.cpp" | 
| 1596 | 
                        break; | 
| 1597 | 
                } | 
| 1598 | 
                default: | 
| 1599 | 
                { | 
| 1600 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1601 | 
                } | 
| 1602 | 
                } | 
| 1603 | 
        } | 
| 1604 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1605 | 
                reportError(ex); | 
| 1606 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1607 | 
                        _t = _t->getNextSibling(); | 
| 1608 | 
        } | 
| 1609 | 
        _retTree = _t; | 
| 1610 | 
} | 
| 1611 | 
 | 
| 1612 | 
void MDTreeParser::fragmentstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1613 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST fragmentstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1614 | 
         | 
| 1615 | 
        try {      // for error handling | 
| 1616 | 
                assignment(_t); | 
| 1617 | 
                _t = _retTree; | 
| 1618 | 
        } | 
| 1619 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1620 | 
                reportError(ex); | 
| 1621 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1622 | 
                        _t = _t->getNextSibling(); | 
| 1623 | 
        } | 
| 1624 | 
        _retTree = _t; | 
| 1625 | 
} | 
| 1626 | 
 | 
| 1627 | 
void MDTreeParser::constraintstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1628 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST constraintstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1629 | 
#line 286 "MDTreeParser.g" | 
| 1630 | 
         | 
| 1631 | 
        vector<int> ivec; | 
| 1632 | 
        ConstraintStamp* currConstraintStamp = static_cast<ConstraintStamp*>(blockStack.top()); | 
| 1633 | 
         | 
| 1634 | 
#line 1635 "MDTreeParser.cpp" | 
| 1635 | 
         | 
| 1636 | 
        try {      // for error handling | 
| 1637 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1638 | 
                        _t = ASTNULL; | 
| 1639 | 
                switch ( _t->getType()) { | 
| 1640 | 
                case ASSIGNEQUAL: | 
| 1641 | 
                { | 
| 1642 | 
                        assignment(_t); | 
| 1643 | 
                        _t = _retTree; | 
| 1644 | 
                        break; | 
| 1645 | 
                } | 
| 1646 | 
                case MEMBERS: | 
| 1647 | 
                { | 
| 1648 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST __t92 = _t; | 
| 1649 | 
                        ANTLR_USE_NAMESPACE(antlr)RefAST tmp45_AST_in = _t; | 
| 1650 | 
                        match(_t,MEMBERS); | 
| 1651 | 
                        _t = _t->getFirstChild(); | 
| 1652 | 
                        ivec=inttuple(_t); | 
| 1653 | 
                        _t = _retTree; | 
| 1654 | 
                        _t = __t92; | 
| 1655 | 
                        _t = _t->getNextSibling(); | 
| 1656 | 
#line 292 "MDTreeParser.g" | 
| 1657 | 
                        currConstraintStamp->setMembers(ivec); | 
| 1658 | 
#line 1659 "MDTreeParser.cpp" | 
| 1659 | 
                        break; | 
| 1660 | 
                } | 
| 1661 | 
                default: | 
| 1662 | 
                { | 
| 1663 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1664 | 
                } | 
| 1665 | 
                } | 
| 1666 | 
        } | 
| 1667 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1668 | 
                reportError(ex); | 
| 1669 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1670 | 
                        _t = _t->getNextSibling(); | 
| 1671 | 
        } | 
| 1672 | 
        _retTree = _t; | 
| 1673 | 
} | 
| 1674 | 
 | 
| 1675 | 
RealType  MDTreeParser::doubleNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { | 
| 1676 | 
#line 318 "MDTreeParser.g" | 
| 1677 | 
        RealType dval; | 
| 1678 | 
#line 1679 "MDTreeParser.cpp" | 
| 1679 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumber_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1680 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST ic = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1681 | 
        ANTLR_USE_NAMESPACE(antlr)RefAST fc = ANTLR_USE_NAMESPACE(antlr)nullAST; | 
| 1682 | 
         | 
| 1683 | 
        try {      // for error handling | 
| 1684 | 
                if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1685 | 
                        _t = ASTNULL; | 
| 1686 | 
                switch ( _t->getType()) { | 
| 1687 | 
                case NUM_INT: | 
| 1688 | 
                case NUM_LONG: | 
| 1689 | 
                { | 
| 1690 | 
                        ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1691 | 
                        intConst(_t); | 
| 1692 | 
                        _t = _retTree; | 
| 1693 | 
#line 319 "MDTreeParser.g" | 
| 1694 | 
                        dval = lexi_cast<RealType>(ic->getText()); | 
| 1695 | 
#line 1696 "MDTreeParser.cpp" | 
| 1696 | 
                        break; | 
| 1697 | 
                } | 
| 1698 | 
                case NUM_FLOAT: | 
| 1699 | 
                case NUM_DOUBLE: | 
| 1700 | 
                { | 
| 1701 | 
                        fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; | 
| 1702 | 
                        floatConst(_t); | 
| 1703 | 
                        _t = _retTree; | 
| 1704 | 
#line 320 "MDTreeParser.g" | 
| 1705 | 
                        dval = lexi_cast<RealType>(fc->getText()); | 
| 1706 | 
#line 1707 "MDTreeParser.cpp" | 
| 1707 | 
                        break; | 
| 1708 | 
                } | 
| 1709 | 
                default: | 
| 1710 | 
                { | 
| 1711 | 
                        throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); | 
| 1712 | 
                } | 
| 1713 | 
                } | 
| 1714 | 
        } | 
| 1715 | 
        catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { | 
| 1716 | 
                reportError(ex); | 
| 1717 | 
                if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) | 
| 1718 | 
                        _t = _t->getNextSibling(); | 
| 1719 | 
        } | 
| 1720 | 
        _retTree = _t; | 
| 1721 | 
        return dval; | 
| 1722 | 
} | 
| 1723 | 
 | 
| 1724 | 
void MDTreeParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& ) | 
| 1725 | 
{ | 
| 1726 | 
} | 
| 1727 | 
const char* MDTreeParser::tokenNames[] = { | 
| 1728 | 
        "<0>", | 
| 1729 | 
        "EOF", | 
| 1730 | 
        "<2>", | 
| 1731 | 
        "NULL_TREE_LOOKAHEAD", | 
| 1732 | 
        "\"component\"", | 
| 1733 | 
        "\"molecule\"", | 
| 1734 | 
        "\"zconstraint\"", | 
| 1735 | 
        "\"restraint\"", | 
| 1736 | 
        "\"atom\"", | 
| 1737 | 
        "\"bond\"", | 
| 1738 | 
        "\"bend\"", | 
| 1739 | 
        "\"torsion\"", | 
| 1740 | 
        "\"inversion\"", | 
| 1741 | 
        "\"rigidBody\"", | 
| 1742 | 
        "\"cutoffGroup\"", | 
| 1743 | 
        "\"constraint\"", | 
| 1744 | 
        "\"distance\"", | 
| 1745 | 
        "\"fragment\"", | 
| 1746 | 
        "\"members\"", | 
| 1747 | 
        "\"center\"", | 
| 1748 | 
        "\"satellites\"", | 
| 1749 | 
        "\"position\"", | 
| 1750 | 
        "\"orientation\"", | 
| 1751 | 
        "\"flucQ\"", | 
| 1752 | 
        "\"RNEMD\"", | 
| 1753 | 
        "\"minimizer\"", | 
| 1754 | 
        "ENDBLOCK", | 
| 1755 | 
        "ID", | 
| 1756 | 
        "ASSIGNEQUAL", | 
| 1757 | 
        "SEMICOLON", | 
| 1758 | 
        "StringLiteral", | 
| 1759 | 
        "LCURLY", | 
| 1760 | 
        "RCURLY", | 
| 1761 | 
        "LBRACKET", | 
| 1762 | 
        "RBRACKET", | 
| 1763 | 
        "LPAREN", | 
| 1764 | 
        "RPAREN", | 
| 1765 | 
        "COMMA", | 
| 1766 | 
        "NUM_INT", | 
| 1767 | 
        "NUM_LONG", | 
| 1768 | 
        "NUM_FLOAT", | 
| 1769 | 
        "NUM_DOUBLE", | 
| 1770 | 
        "DOT", | 
| 1771 | 
        "COLON", | 
| 1772 | 
        "QUESTIONMARK", | 
| 1773 | 
        "Whitespace", | 
| 1774 | 
        "Comment", | 
| 1775 | 
        "CPPComment", | 
| 1776 | 
        "a line directive", | 
| 1777 | 
        "LineDirective", | 
| 1778 | 
        "Space", | 
| 1779 | 
        "CharLiteral", | 
| 1780 | 
        "EndOfLine", | 
| 1781 | 
        "Escape", | 
| 1782 | 
        "Vocabulary", | 
| 1783 | 
        "Digit", | 
| 1784 | 
        "Decimal", | 
| 1785 | 
        "HEX_DIGIT", | 
| 1786 | 
        "EXPONENT", | 
| 1787 | 
        "FLOAT_SUFFIX", | 
| 1788 | 
        0 | 
| 1789 | 
}; | 
| 1790 | 
 | 
| 1791 | 
const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 327155952UL, 0UL, 0UL, 0UL }; | 
| 1792 | 
// "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer"  | 
| 1793 | 
// ASSIGNEQUAL  | 
| 1794 | 
const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_0(_tokenSet_0_data_,4); | 
| 1795 | 
const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 268631808UL, 0UL, 0UL, 0UL }; | 
| 1796 | 
// "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup"  | 
| 1797 | 
// "constraint" "fragment" ASSIGNEQUAL  | 
| 1798 | 
const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_1(_tokenSet_1_data_,4); | 
| 1799 | 
 | 
| 1800 | 
 |