1 |
< |
/* $ANTLR 2.7.5 (20050406): "MDTreeParser.g" -> "MDTreeParser.cpp"$ */ |
1 |
> |
/* $ANTLR 2.7.7 (20090623): "MDTreeParser.g" -> "MDTreeParser.cpp"$ */ |
2 |
|
#include "MDTreeParser.hpp" |
3 |
|
#include <antlr/Token.hpp> |
4 |
|
#include <antlr/AST.hpp> |
13 |
|
} |
14 |
|
|
15 |
|
void MDTreeParser::mdfile(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
16 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST mdfile_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
16 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST mdfile_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
17 |
|
|
18 |
|
try { // for error handling |
19 |
|
{ // ( ... )* |
44 |
|
} |
45 |
|
|
46 |
|
void MDTreeParser::statement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
47 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST statement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
47 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST statement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
48 |
|
|
49 |
|
try { // for error handling |
50 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
74 |
|
_t = _retTree; |
75 |
|
break; |
76 |
|
} |
77 |
+ |
case RESTRAINT: |
78 |
+ |
{ |
79 |
+ |
restraintblock(_t); |
80 |
+ |
_t = _retTree; |
81 |
+ |
break; |
82 |
+ |
} |
83 |
|
default: |
84 |
|
{ |
85 |
|
throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); |
95 |
|
} |
96 |
|
|
97 |
|
void MDTreeParser::assignment(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
98 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST assignment_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
98 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST assignment_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
99 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST id = ANTLR_USE_NAMESPACE(antlr)nullAST; |
100 |
|
|
101 |
|
try { // for error handling |
120 |
|
} |
121 |
|
|
122 |
|
void MDTreeParser::componentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
123 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST componentblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
123 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST componentblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
124 |
|
|
125 |
|
try { // for error handling |
126 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST __t9 = _t; |
127 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST tmp2_AST_in = _t; |
128 |
|
match(_t,COMPONENT); |
129 |
|
_t = _t->getFirstChild(); |
130 |
< |
#line 62 "MDTreeParser.g" |
130 |
> |
#line 63 "MDTreeParser.g" |
131 |
|
Component* currComponet = new Component(); blockStack.push(currComponet); |
132 |
< |
#line 127 "MDTreeParser.cpp" |
132 |
> |
#line 133 "MDTreeParser.cpp" |
133 |
|
{ // ( ... )* |
134 |
|
for (;;) { |
135 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
150 |
|
_t = _t->getNextSibling(); |
151 |
|
_t = __t9; |
152 |
|
_t = _t->getNextSibling(); |
153 |
< |
#line 64 "MDTreeParser.g" |
153 |
> |
#line 65 "MDTreeParser.g" |
154 |
|
blockStack.top()->validate();blockStack.pop(); currConf->addComponent(currComponet); |
155 |
< |
#line 150 "MDTreeParser.cpp" |
155 |
> |
#line 156 "MDTreeParser.cpp" |
156 |
|
} |
157 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
158 |
|
reportError(ex); |
163 |
|
} |
164 |
|
|
165 |
|
void MDTreeParser::moleculeblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
166 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST moleculeblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
166 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST moleculeblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
167 |
|
|
168 |
|
try { // for error handling |
169 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t17 = _t; |
169 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t21 = _t; |
170 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST tmp4_AST_in = _t; |
171 |
|
match(_t,MOLECULE); |
172 |
|
_t = _t->getFirstChild(); |
173 |
< |
#line 72 "MDTreeParser.g" |
173 |
> |
#line 78 "MDTreeParser.g" |
174 |
|
MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp); |
175 |
< |
#line 170 "MDTreeParser.cpp" |
175 |
> |
#line 176 "MDTreeParser.cpp" |
176 |
|
{ // ( ... )* |
177 |
|
for (;;) { |
178 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
182 |
|
_t = _retTree; |
183 |
|
} |
184 |
|
else { |
185 |
< |
goto _loop19; |
185 |
> |
goto _loop23; |
186 |
|
} |
187 |
|
|
188 |
|
} |
189 |
< |
_loop19:; |
189 |
> |
_loop23:; |
190 |
|
} // ( ... )* |
191 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST tmp5_AST_in = _t; |
192 |
|
match(_t,ENDBLOCK); |
193 |
|
_t = _t->getNextSibling(); |
194 |
< |
_t = __t17; |
194 |
> |
_t = __t21; |
195 |
|
_t = _t->getNextSibling(); |
196 |
< |
#line 74 "MDTreeParser.g" |
196 |
> |
#line 80 "MDTreeParser.g" |
197 |
|
blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp); |
198 |
< |
#line 193 "MDTreeParser.cpp" |
198 |
> |
#line 199 "MDTreeParser.cpp" |
199 |
|
} |
200 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
201 |
|
reportError(ex); |
206 |
|
} |
207 |
|
|
208 |
|
void MDTreeParser::zconstraintblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
209 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST zconstraintblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
209 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST zconstraintblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
210 |
|
|
211 |
|
try { // for error handling |
212 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST __t13 = _t; |
213 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST tmp6_AST_in = _t; |
214 |
|
match(_t,ZCONSTRAINT); |
215 |
|
_t = _t->getFirstChild(); |
216 |
< |
#line 67 "MDTreeParser.g" |
216 |
> |
#line 68 "MDTreeParser.g" |
217 |
|
ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp); |
218 |
< |
#line 213 "MDTreeParser.cpp" |
218 |
> |
#line 219 "MDTreeParser.cpp" |
219 |
|
{ // ( ... )* |
220 |
|
for (;;) { |
221 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
236 |
|
_t = _t->getNextSibling(); |
237 |
|
_t = __t13; |
238 |
|
_t = _t->getNextSibling(); |
239 |
< |
#line 69 "MDTreeParser.g" |
239 |
> |
#line 70 "MDTreeParser.g" |
240 |
|
blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp); |
241 |
< |
#line 236 "MDTreeParser.cpp" |
241 |
> |
#line 242 "MDTreeParser.cpp" |
242 |
|
} |
243 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
244 |
|
reportError(ex); |
248 |
|
_retTree = _t; |
249 |
|
} |
250 |
|
|
251 |
+ |
void MDTreeParser::restraintblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
252 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST restraintblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
253 |
+ |
|
254 |
+ |
try { // for error handling |
255 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST __t17 = _t; |
256 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp8_AST_in = _t; |
257 |
+ |
match(_t,RESTRAINT); |
258 |
+ |
_t = _t->getFirstChild(); |
259 |
+ |
#line 73 "MDTreeParser.g" |
260 |
+ |
RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp); |
261 |
+ |
#line 262 "MDTreeParser.cpp" |
262 |
+ |
{ // ( ... )* |
263 |
+ |
for (;;) { |
264 |
+ |
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
265 |
+ |
_t = ASTNULL; |
266 |
+ |
if ((_t->getType() == ASSIGNEQUAL)) { |
267 |
+ |
assignment(_t); |
268 |
+ |
_t = _retTree; |
269 |
+ |
} |
270 |
+ |
else { |
271 |
+ |
goto _loop19; |
272 |
+ |
} |
273 |
+ |
|
274 |
+ |
} |
275 |
+ |
_loop19:; |
276 |
+ |
} // ( ... )* |
277 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST_in = _t; |
278 |
+ |
match(_t,ENDBLOCK); |
279 |
+ |
_t = _t->getNextSibling(); |
280 |
+ |
_t = __t17; |
281 |
+ |
_t = _t->getNextSibling(); |
282 |
+ |
#line 75 "MDTreeParser.g" |
283 |
+ |
blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp); |
284 |
+ |
#line 285 "MDTreeParser.cpp" |
285 |
+ |
} |
286 |
+ |
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
287 |
+ |
reportError(ex); |
288 |
+ |
if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) |
289 |
+ |
_t = _t->getNextSibling(); |
290 |
+ |
} |
291 |
+ |
_retTree = _t; |
292 |
+ |
} |
293 |
+ |
|
294 |
|
void MDTreeParser::constant(ANTLR_USE_NAMESPACE(antlr)RefAST _t, |
295 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST id |
296 |
|
) { |
297 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST constant_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
297 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST constant_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
298 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST str1 = ANTLR_USE_NAMESPACE(antlr)nullAST; |
299 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST str2 = ANTLR_USE_NAMESPACE(antlr)nullAST; |
300 |
< |
#line 47 "MDTreeParser.g" |
300 |
> |
#line 48 "MDTreeParser.g" |
301 |
|
|
302 |
|
int ival; |
303 |
< |
double dval; |
303 |
> |
RealType dval; |
304 |
|
|
305 |
< |
#line 257 "MDTreeParser.cpp" |
305 |
> |
#line 306 "MDTreeParser.cpp" |
306 |
|
|
307 |
|
try { // for error handling |
308 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
313 |
|
{ |
314 |
|
ival=intConst(_t); |
315 |
|
_t = _retTree; |
316 |
< |
#line 52 "MDTreeParser.g" |
316 |
> |
#line 53 "MDTreeParser.g" |
317 |
|
blockStack.top()->assign(id->getText(), ival); |
318 |
< |
#line 270 "MDTreeParser.cpp" |
318 |
> |
#line 319 "MDTreeParser.cpp" |
319 |
|
break; |
320 |
|
} |
321 |
|
case NUM_FLOAT: |
323 |
|
{ |
324 |
|
dval=floatConst(_t); |
325 |
|
_t = _retTree; |
326 |
< |
#line 53 "MDTreeParser.g" |
326 |
> |
#line 54 "MDTreeParser.g" |
327 |
|
blockStack.top()->assign(id->getText(), dval); |
328 |
< |
#line 280 "MDTreeParser.cpp" |
328 |
> |
#line 329 "MDTreeParser.cpp" |
329 |
|
break; |
330 |
|
} |
331 |
|
case ID: |
333 |
|
str1 = _t; |
334 |
|
match(_t,ID); |
335 |
|
_t = _t->getNextSibling(); |
336 |
< |
#line 54 "MDTreeParser.g" |
336 |
> |
#line 55 "MDTreeParser.g" |
337 |
|
blockStack.top()->assign(id->getText(), str1->getText()); |
338 |
< |
#line 290 "MDTreeParser.cpp" |
338 |
> |
#line 339 "MDTreeParser.cpp" |
339 |
|
break; |
340 |
|
} |
341 |
|
case StringLiteral: |
343 |
|
str2 = _t; |
344 |
|
match(_t,StringLiteral); |
345 |
|
_t = _t->getNextSibling(); |
346 |
< |
#line 55 "MDTreeParser.g" |
346 |
> |
#line 56 "MDTreeParser.g" |
347 |
|
std::string s = str2->getText(); |
348 |
|
s = s.substr(1, s.length()-2); |
349 |
|
blockStack.top()->assign(id->getText(),s); |
350 |
|
|
351 |
< |
#line 303 "MDTreeParser.cpp" |
351 |
> |
#line 352 "MDTreeParser.cpp" |
352 |
|
break; |
353 |
|
} |
354 |
|
default: |
366 |
|
} |
367 |
|
|
368 |
|
int MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
369 |
< |
#line 242 "MDTreeParser.g" |
369 |
> |
#line 268 "MDTreeParser.g" |
370 |
|
int ival; |
371 |
< |
#line 323 "MDTreeParser.cpp" |
372 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
371 |
> |
#line 372 "MDTreeParser.cpp" |
372 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
373 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST i1 = ANTLR_USE_NAMESPACE(antlr)nullAST; |
374 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST i2 = ANTLR_USE_NAMESPACE(antlr)nullAST; |
375 |
|
|
382 |
|
i1 = _t; |
383 |
|
match(_t,NUM_INT); |
384 |
|
_t = _t->getNextSibling(); |
385 |
< |
#line 243 "MDTreeParser.g" |
385 |
> |
#line 269 "MDTreeParser.g" |
386 |
|
ival = lexi_cast<int>(i1->getText()); |
387 |
< |
#line 339 "MDTreeParser.cpp" |
387 |
> |
#line 388 "MDTreeParser.cpp" |
388 |
|
break; |
389 |
|
} |
390 |
|
case NUM_LONG: |
392 |
|
i2 = _t; |
393 |
|
match(_t,NUM_LONG); |
394 |
|
_t = _t->getNextSibling(); |
395 |
< |
#line 244 "MDTreeParser.g" |
395 |
> |
#line 270 "MDTreeParser.g" |
396 |
|
ival = lexi_cast<int>(i2->getText()); |
397 |
< |
#line 349 "MDTreeParser.cpp" |
397 |
> |
#line 398 "MDTreeParser.cpp" |
398 |
|
break; |
399 |
|
} |
400 |
|
default: |
412 |
|
return ival; |
413 |
|
} |
414 |
|
|
415 |
< |
double MDTreeParser::floatConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
416 |
< |
#line 256 "MDTreeParser.g" |
417 |
< |
double dval; |
418 |
< |
#line 370 "MDTreeParser.cpp" |
419 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
415 |
> |
RealType MDTreeParser::floatConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
416 |
> |
#line 282 "MDTreeParser.g" |
417 |
> |
RealType dval; |
418 |
> |
#line 419 "MDTreeParser.cpp" |
419 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
420 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST d1 = ANTLR_USE_NAMESPACE(antlr)nullAST; |
421 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST d2 = ANTLR_USE_NAMESPACE(antlr)nullAST; |
422 |
|
|
429 |
|
d1 = _t; |
430 |
|
match(_t,NUM_FLOAT); |
431 |
|
_t = _t->getNextSibling(); |
432 |
< |
#line 257 "MDTreeParser.g" |
433 |
< |
dval = lexi_cast<double>(d1->getText()); |
434 |
< |
#line 386 "MDTreeParser.cpp" |
432 |
> |
#line 283 "MDTreeParser.g" |
433 |
> |
dval = lexi_cast<RealType>(d1->getText()); |
434 |
> |
#line 435 "MDTreeParser.cpp" |
435 |
|
break; |
436 |
|
} |
437 |
|
case NUM_DOUBLE: |
439 |
|
d2 = _t; |
440 |
|
match(_t,NUM_DOUBLE); |
441 |
|
_t = _t->getNextSibling(); |
442 |
< |
#line 258 "MDTreeParser.g" |
443 |
< |
dval = lexi_cast<double>(d2->getText()); |
444 |
< |
#line 396 "MDTreeParser.cpp" |
442 |
> |
#line 284 "MDTreeParser.g" |
443 |
> |
dval = lexi_cast<RealType>(d2->getText()); |
444 |
> |
#line 445 "MDTreeParser.cpp" |
445 |
|
break; |
446 |
|
} |
447 |
|
default: |
460 |
|
} |
461 |
|
|
462 |
|
void MDTreeParser::moleculestatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
463 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST moleculestatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
463 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST moleculestatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
464 |
|
|
465 |
|
try { // for error handling |
466 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
496 |
|
_t = _retTree; |
497 |
|
break; |
498 |
|
} |
499 |
+ |
case INVERSION: |
500 |
+ |
{ |
501 |
+ |
inversionblock(_t); |
502 |
+ |
_t = _retTree; |
503 |
+ |
break; |
504 |
+ |
} |
505 |
|
case RIGIDBODY: |
506 |
|
{ |
507 |
|
rigidbodyblock(_t); |
535 |
|
} |
536 |
|
|
537 |
|
void MDTreeParser::atomblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
538 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
539 |
< |
#line 87 "MDTreeParser.g" |
538 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
539 |
> |
#line 94 "MDTreeParser.g" |
540 |
|
|
541 |
|
int index; |
542 |
|
|
543 |
< |
#line 489 "MDTreeParser.cpp" |
543 |
> |
#line 544 "MDTreeParser.cpp" |
544 |
|
|
545 |
|
try { // for error handling |
546 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t22 = _t; |
547 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp8_AST_in = _t; |
546 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t26 = _t; |
547 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp10_AST_in = _t; |
548 |
|
match(_t,ATOM); |
549 |
|
_t = _t->getFirstChild(); |
550 |
|
index=intConst(_t); |
551 |
|
_t = _retTree; |
552 |
< |
#line 91 "MDTreeParser.g" |
552 |
> |
#line 98 "MDTreeParser.g" |
553 |
|
AtomStamp* currAtomStamp = new AtomStamp(index); blockStack.push(currAtomStamp); |
554 |
< |
#line 500 "MDTreeParser.cpp" |
554 |
> |
#line 555 "MDTreeParser.cpp" |
555 |
|
{ // ( ... )* |
556 |
|
for (;;) { |
557 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
561 |
|
_t = _retTree; |
562 |
|
} |
563 |
|
else { |
564 |
< |
goto _loop24; |
564 |
> |
goto _loop28; |
565 |
|
} |
566 |
|
|
567 |
|
} |
568 |
< |
_loop24:; |
568 |
> |
_loop28:; |
569 |
|
} // ( ... )* |
570 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST_in = _t; |
570 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp11_AST_in = _t; |
571 |
|
match(_t,ENDBLOCK); |
572 |
|
_t = _t->getNextSibling(); |
573 |
< |
_t = __t22; |
573 |
> |
_t = __t26; |
574 |
|
_t = _t->getNextSibling(); |
575 |
< |
#line 93 "MDTreeParser.g" |
575 |
> |
#line 100 "MDTreeParser.g" |
576 |
|
|
577 |
|
blockStack.top()->validate(); |
578 |
|
blockStack.pop(); |
579 |
|
MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); |
580 |
|
currMoleculeStamp->addAtomStamp(currAtomStamp); |
581 |
|
|
582 |
< |
#line 528 "MDTreeParser.cpp" |
582 |
> |
#line 583 "MDTreeParser.cpp" |
583 |
|
} |
584 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
585 |
|
reportError(ex); |
590 |
|
} |
591 |
|
|
592 |
|
void MDTreeParser::bondblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
593 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
593 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
594 |
|
|
595 |
|
try { // for error handling |
596 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t29 = _t; |
597 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp10_AST_in = _t; |
596 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t33 = _t; |
597 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp12_AST_in = _t; |
598 |
|
match(_t,BOND); |
599 |
|
_t = _t->getFirstChild(); |
600 |
< |
#line 113 "MDTreeParser.g" |
600 |
> |
#line 120 "MDTreeParser.g" |
601 |
|
BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp); |
602 |
< |
#line 548 "MDTreeParser.cpp" |
602 |
> |
#line 603 "MDTreeParser.cpp" |
603 |
|
{ // ( ... )* |
604 |
|
for (;;) { |
605 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
609 |
|
_t = _retTree; |
610 |
|
} |
611 |
|
else { |
612 |
< |
goto _loop31; |
612 |
> |
goto _loop35; |
613 |
|
} |
614 |
|
|
615 |
|
} |
616 |
< |
_loop31:; |
616 |
> |
_loop35:; |
617 |
|
} // ( ... )* |
618 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp11_AST_in = _t; |
618 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST_in = _t; |
619 |
|
match(_t,ENDBLOCK); |
620 |
|
_t = _t->getNextSibling(); |
621 |
< |
_t = __t29; |
621 |
> |
_t = __t33; |
622 |
|
_t = _t->getNextSibling(); |
623 |
< |
#line 115 "MDTreeParser.g" |
623 |
> |
#line 122 "MDTreeParser.g" |
624 |
|
|
625 |
|
blockStack.pop(); |
626 |
|
MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); |
627 |
|
currMoleculeStamp->addBondStamp(currBondStamp); |
628 |
|
|
629 |
< |
#line 575 "MDTreeParser.cpp" |
629 |
> |
#line 630 "MDTreeParser.cpp" |
630 |
|
} |
631 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
632 |
|
reportError(ex); |
637 |
|
} |
638 |
|
|
639 |
|
void MDTreeParser::bendblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
640 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
640 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
641 |
|
|
642 |
|
try { // for error handling |
643 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t35 = _t; |
644 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp12_AST_in = _t; |
643 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t39 = _t; |
644 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST_in = _t; |
645 |
|
match(_t,BEND); |
646 |
|
_t = _t->getFirstChild(); |
647 |
< |
#line 131 "MDTreeParser.g" |
647 |
> |
#line 138 "MDTreeParser.g" |
648 |
|
BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp); |
649 |
< |
#line 595 "MDTreeParser.cpp" |
649 |
> |
#line 650 "MDTreeParser.cpp" |
650 |
|
{ // ( ... )* |
651 |
|
for (;;) { |
652 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
656 |
|
_t = _retTree; |
657 |
|
} |
658 |
|
else { |
659 |
< |
goto _loop37; |
659 |
> |
goto _loop41; |
660 |
|
} |
661 |
|
|
662 |
|
} |
663 |
< |
_loop37:; |
663 |
> |
_loop41:; |
664 |
|
} // ( ... )* |
665 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST_in = _t; |
665 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST_in = _t; |
666 |
|
match(_t,ENDBLOCK); |
667 |
|
_t = _t->getNextSibling(); |
668 |
< |
_t = __t35; |
668 |
> |
_t = __t39; |
669 |
|
_t = _t->getNextSibling(); |
670 |
< |
#line 133 "MDTreeParser.g" |
670 |
> |
#line 140 "MDTreeParser.g" |
671 |
|
|
672 |
|
blockStack.top()->validate(); |
673 |
|
blockStack.pop(); |
674 |
|
MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); |
675 |
|
currMoleculeStamp->addBendStamp(currBendStamp); |
676 |
|
|
677 |
< |
#line 623 "MDTreeParser.cpp" |
677 |
> |
#line 678 "MDTreeParser.cpp" |
678 |
|
} |
679 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
680 |
|
reportError(ex); |
685 |
|
} |
686 |
|
|
687 |
|
void MDTreeParser::torsionblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
688 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
688 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
689 |
|
|
690 |
|
try { // for error handling |
691 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t41 = _t; |
692 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST_in = _t; |
691 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t45 = _t; |
692 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST_in = _t; |
693 |
|
match(_t,TORSION); |
694 |
|
_t = _t->getFirstChild(); |
695 |
< |
#line 150 "MDTreeParser.g" |
695 |
> |
#line 157 "MDTreeParser.g" |
696 |
|
TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp); |
697 |
< |
#line 643 "MDTreeParser.cpp" |
697 |
> |
#line 698 "MDTreeParser.cpp" |
698 |
|
{ // ( ... )* |
699 |
|
for (;;) { |
700 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
704 |
|
_t = _retTree; |
705 |
|
} |
706 |
|
else { |
707 |
< |
goto _loop43; |
707 |
> |
goto _loop47; |
708 |
|
} |
709 |
|
|
710 |
|
} |
711 |
< |
_loop43:; |
711 |
> |
_loop47:; |
712 |
|
} // ( ... )* |
713 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST_in = _t; |
713 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST_in = _t; |
714 |
|
match(_t,ENDBLOCK); |
715 |
|
_t = _t->getNextSibling(); |
716 |
< |
_t = __t41; |
716 |
> |
_t = __t45; |
717 |
|
_t = _t->getNextSibling(); |
718 |
< |
#line 152 "MDTreeParser.g" |
718 |
> |
#line 159 "MDTreeParser.g" |
719 |
|
|
720 |
|
blockStack.top()->validate(); |
721 |
|
blockStack.pop(); |
722 |
|
MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); |
723 |
|
currMoleculeStamp->addTorsionStamp(currTorsionStamp); |
724 |
|
|
725 |
< |
#line 671 "MDTreeParser.cpp" |
725 |
> |
#line 726 "MDTreeParser.cpp" |
726 |
|
} |
727 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
728 |
|
reportError(ex); |
732 |
|
_retTree = _t; |
733 |
|
} |
734 |
|
|
735 |
+ |
void MDTreeParser::inversionblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
736 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
737 |
+ |
|
738 |
+ |
try { // for error handling |
739 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST __t51 = _t; |
740 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST_in = _t; |
741 |
+ |
match(_t,INVERSION); |
742 |
+ |
_t = _t->getFirstChild(); |
743 |
+ |
#line 176 "MDTreeParser.g" |
744 |
+ |
InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp); |
745 |
+ |
#line 746 "MDTreeParser.cpp" |
746 |
+ |
{ // ( ... )* |
747 |
+ |
for (;;) { |
748 |
+ |
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
749 |
+ |
_t = ASTNULL; |
750 |
+ |
if ((_t->getType() == CENTER || _t->getType() == ASSIGNEQUAL)) { |
751 |
+ |
inversionstatement(_t); |
752 |
+ |
_t = _retTree; |
753 |
+ |
} |
754 |
+ |
else { |
755 |
+ |
goto _loop53; |
756 |
+ |
} |
757 |
+ |
|
758 |
+ |
} |
759 |
+ |
_loop53:; |
760 |
+ |
} // ( ... )* |
761 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST_in = _t; |
762 |
+ |
match(_t,ENDBLOCK); |
763 |
+ |
_t = _t->getNextSibling(); |
764 |
+ |
_t = __t51; |
765 |
+ |
_t = _t->getNextSibling(); |
766 |
+ |
#line 178 "MDTreeParser.g" |
767 |
+ |
|
768 |
+ |
blockStack.top()->validate(); |
769 |
+ |
blockStack.pop(); |
770 |
+ |
MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); |
771 |
+ |
currMoleculeStamp->addInversionStamp(currInversionStamp); |
772 |
+ |
|
773 |
+ |
#line 774 "MDTreeParser.cpp" |
774 |
+ |
} |
775 |
+ |
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
776 |
+ |
reportError(ex); |
777 |
+ |
if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) |
778 |
+ |
_t = _t->getNextSibling(); |
779 |
+ |
} |
780 |
+ |
_retTree = _t; |
781 |
+ |
} |
782 |
+ |
|
783 |
|
void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
784 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
785 |
< |
#line 169 "MDTreeParser.g" |
784 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
785 |
> |
#line 195 "MDTreeParser.g" |
786 |
|
|
787 |
|
int index; |
788 |
|
|
789 |
< |
#line 687 "MDTreeParser.cpp" |
789 |
> |
#line 790 "MDTreeParser.cpp" |
790 |
|
|
791 |
|
try { // for error handling |
792 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t47 = _t; |
793 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST_in = _t; |
792 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t57 = _t; |
793 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST_in = _t; |
794 |
|
match(_t,RIGIDBODY); |
795 |
|
_t = _t->getFirstChild(); |
796 |
|
index=intConst(_t); |
797 |
|
_t = _retTree; |
798 |
< |
#line 173 "MDTreeParser.g" |
798 |
> |
#line 199 "MDTreeParser.g" |
799 |
|
RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp); |
800 |
< |
#line 698 "MDTreeParser.cpp" |
800 |
> |
#line 801 "MDTreeParser.cpp" |
801 |
|
{ // ( ... )* |
802 |
|
for (;;) { |
803 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
807 |
|
_t = _retTree; |
808 |
|
} |
809 |
|
else { |
810 |
< |
goto _loop49; |
810 |
> |
goto _loop59; |
811 |
|
} |
812 |
|
|
813 |
|
} |
814 |
< |
_loop49:; |
814 |
> |
_loop59:; |
815 |
|
} // ( ... )* |
816 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST_in = _t; |
816 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST_in = _t; |
817 |
|
match(_t,ENDBLOCK); |
818 |
|
_t = _t->getNextSibling(); |
819 |
< |
_t = __t47; |
819 |
> |
_t = __t57; |
820 |
|
_t = _t->getNextSibling(); |
821 |
< |
#line 175 "MDTreeParser.g" |
821 |
> |
#line 201 "MDTreeParser.g" |
822 |
|
|
823 |
|
blockStack.top()->validate(); |
824 |
|
blockStack.pop(); |
825 |
|
MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); |
826 |
|
currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp); |
827 |
|
|
828 |
< |
#line 726 "MDTreeParser.cpp" |
828 |
> |
#line 829 "MDTreeParser.cpp" |
829 |
|
} |
830 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
831 |
|
reportError(ex); |
836 |
|
} |
837 |
|
|
838 |
|
void MDTreeParser::cutoffgroupblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
839 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
839 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
840 |
|
|
841 |
|
try { // for error handling |
842 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t53 = _t; |
843 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST_in = _t; |
842 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t63 = _t; |
843 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST_in = _t; |
844 |
|
match(_t,CUTOFFGROUP); |
845 |
|
_t = _t->getFirstChild(); |
846 |
< |
#line 192 "MDTreeParser.g" |
846 |
> |
#line 218 "MDTreeParser.g" |
847 |
|
CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp); |
848 |
< |
#line 746 "MDTreeParser.cpp" |
848 |
> |
#line 849 "MDTreeParser.cpp" |
849 |
|
{ // ( ... )* |
850 |
|
for (;;) { |
851 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
855 |
|
_t = _retTree; |
856 |
|
} |
857 |
|
else { |
858 |
< |
goto _loop55; |
858 |
> |
goto _loop65; |
859 |
|
} |
860 |
|
|
861 |
|
} |
862 |
< |
_loop55:; |
862 |
> |
_loop65:; |
863 |
|
} // ( ... )* |
864 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST_in = _t; |
864 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST_in = _t; |
865 |
|
match(_t,ENDBLOCK); |
866 |
|
_t = _t->getNextSibling(); |
867 |
< |
_t = __t53; |
867 |
> |
_t = __t63; |
868 |
|
_t = _t->getNextSibling(); |
869 |
< |
#line 194 "MDTreeParser.g" |
869 |
> |
#line 220 "MDTreeParser.g" |
870 |
|
|
871 |
|
blockStack.top()->validate(); |
872 |
|
blockStack.pop(); |
873 |
|
MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); |
874 |
|
currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp); |
875 |
|
|
876 |
< |
#line 774 "MDTreeParser.cpp" |
876 |
> |
#line 877 "MDTreeParser.cpp" |
877 |
|
} |
878 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
879 |
|
reportError(ex); |
884 |
|
} |
885 |
|
|
886 |
|
void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
887 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
888 |
< |
#line 211 "MDTreeParser.g" |
887 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
888 |
> |
#line 237 "MDTreeParser.g" |
889 |
|
int ival; |
890 |
< |
#line 788 "MDTreeParser.cpp" |
890 |
> |
#line 891 "MDTreeParser.cpp" |
891 |
|
|
892 |
|
try { // for error handling |
893 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t59 = _t; |
894 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST_in = _t; |
893 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t69 = _t; |
894 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST_in = _t; |
895 |
|
match(_t,FRAGMENT); |
896 |
|
_t = _t->getFirstChild(); |
897 |
|
ival=intConst(_t); |
898 |
|
_t = _retTree; |
899 |
< |
#line 212 "MDTreeParser.g" |
899 |
> |
#line 238 "MDTreeParser.g" |
900 |
|
FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp); |
901 |
< |
#line 799 "MDTreeParser.cpp" |
901 |
> |
#line 902 "MDTreeParser.cpp" |
902 |
|
{ // ( ... )* |
903 |
|
for (;;) { |
904 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
908 |
|
_t = _retTree; |
909 |
|
} |
910 |
|
else { |
911 |
< |
goto _loop61; |
911 |
> |
goto _loop71; |
912 |
|
} |
913 |
|
|
914 |
|
} |
915 |
< |
_loop61:; |
915 |
> |
_loop71:; |
916 |
|
} // ( ... )* |
917 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST_in = _t; |
917 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST_in = _t; |
918 |
|
match(_t,ENDBLOCK); |
919 |
|
_t = _t->getNextSibling(); |
920 |
< |
_t = __t59; |
920 |
> |
_t = __t69; |
921 |
|
_t = _t->getNextSibling(); |
922 |
< |
#line 214 "MDTreeParser.g" |
922 |
> |
#line 240 "MDTreeParser.g" |
923 |
|
|
924 |
|
blockStack.top()->validate(); |
925 |
|
blockStack.pop(); |
926 |
|
MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); |
927 |
|
currMoleculeStamp->addFragmentStamp(currFragmentStamp); |
928 |
|
|
929 |
< |
#line 827 "MDTreeParser.cpp" |
929 |
> |
#line 930 "MDTreeParser.cpp" |
930 |
|
} |
931 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
932 |
|
reportError(ex); |
937 |
|
} |
938 |
|
|
939 |
|
void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
940 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST atomstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
941 |
< |
#line 101 "MDTreeParser.g" |
940 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST atomstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
941 |
> |
#line 108 "MDTreeParser.g" |
942 |
|
|
943 |
< |
vector<double> dvec; |
943 |
> |
vector<RealType> dvec; |
944 |
|
AtomStamp* currAtomStamp = static_cast<AtomStamp*>(blockStack.top()); |
945 |
|
|
946 |
|
|
947 |
< |
#line 845 "MDTreeParser.cpp" |
947 |
> |
#line 948 "MDTreeParser.cpp" |
948 |
|
|
949 |
|
try { // for error handling |
950 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
958 |
|
} |
959 |
|
case POSITION: |
960 |
|
{ |
961 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t26 = _t; |
962 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST_in = _t; |
961 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t30 = _t; |
962 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST_in = _t; |
963 |
|
match(_t,POSITION); |
964 |
|
_t = _t->getFirstChild(); |
965 |
|
dvec=doubleNumberTuple(_t); |
966 |
|
_t = _retTree; |
967 |
< |
_t = __t26; |
967 |
> |
_t = __t30; |
968 |
|
_t = _t->getNextSibling(); |
969 |
< |
#line 108 "MDTreeParser.g" |
969 |
> |
#line 115 "MDTreeParser.g" |
970 |
|
currAtomStamp->setPosition(dvec); |
971 |
< |
#line 869 "MDTreeParser.cpp" |
971 |
> |
#line 972 "MDTreeParser.cpp" |
972 |
|
break; |
973 |
|
} |
974 |
|
case ORIENTATION: |
975 |
|
{ |
976 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t27 = _t; |
977 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST_in = _t; |
976 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t31 = _t; |
977 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST_in = _t; |
978 |
|
match(_t,ORIENTATION); |
979 |
|
_t = _t->getFirstChild(); |
980 |
|
dvec=doubleNumberTuple(_t); |
981 |
|
_t = _retTree; |
982 |
< |
_t = __t27; |
982 |
> |
_t = __t31; |
983 |
|
_t = _t->getNextSibling(); |
984 |
< |
#line 109 "MDTreeParser.g" |
984 |
> |
#line 116 "MDTreeParser.g" |
985 |
|
currAtomStamp->setOrientation(dvec); |
986 |
< |
#line 884 "MDTreeParser.cpp" |
986 |
> |
#line 987 "MDTreeParser.cpp" |
987 |
|
break; |
988 |
|
} |
989 |
|
default: |
1000 |
|
_retTree = _t; |
1001 |
|
} |
1002 |
|
|
1003 |
< |
vector<double> MDTreeParser::doubleNumberTuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1004 |
< |
#line 227 "MDTreeParser.g" |
1005 |
< |
vector<double> dvec; |
1006 |
< |
#line 904 "MDTreeParser.cpp" |
1007 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumberTuple_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1008 |
< |
#line 227 "MDTreeParser.g" |
1003 |
> |
vector<RealType> MDTreeParser::doubleNumberTuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1004 |
> |
#line 253 "MDTreeParser.g" |
1005 |
> |
vector<RealType> dvec; |
1006 |
> |
#line 1007 "MDTreeParser.cpp" |
1007 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumberTuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1008 |
> |
#line 253 "MDTreeParser.g" |
1009 |
|
|
1010 |
< |
double dval; |
1010 |
> |
RealType dval; |
1011 |
|
|
1012 |
< |
#line 910 "MDTreeParser.cpp" |
1012 |
> |
#line 1013 "MDTreeParser.cpp" |
1013 |
|
|
1014 |
|
try { // for error handling |
1015 |
|
{ // ( ... )+ |
1016 |
< |
int _cnt65=0; |
1016 |
> |
int _cnt75=0; |
1017 |
|
for (;;) { |
1018 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
1019 |
|
_t = ASTNULL; |
1020 |
|
if (((_t->getType() >= NUM_INT && _t->getType() <= NUM_DOUBLE))) { |
1021 |
|
dval=doubleNumber(_t); |
1022 |
|
_t = _retTree; |
1023 |
< |
#line 231 "MDTreeParser.g" |
1023 |
> |
#line 257 "MDTreeParser.g" |
1024 |
|
dvec.push_back(dval); |
1025 |
< |
#line 923 "MDTreeParser.cpp" |
1025 |
> |
#line 1026 "MDTreeParser.cpp" |
1026 |
|
} |
1027 |
|
else { |
1028 |
< |
if ( _cnt65>=1 ) { goto _loop65; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} |
1028 |
> |
if ( _cnt75>=1 ) { goto _loop75; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} |
1029 |
|
} |
1030 |
|
|
1031 |
< |
_cnt65++; |
1031 |
> |
_cnt75++; |
1032 |
|
} |
1033 |
< |
_loop65:; |
1033 |
> |
_loop75:; |
1034 |
|
} // ( ... )+ |
1035 |
|
} |
1036 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
1043 |
|
} |
1044 |
|
|
1045 |
|
void MDTreeParser::bondstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1046 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST bondstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1047 |
< |
#line 122 "MDTreeParser.g" |
1046 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST bondstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1047 |
> |
#line 129 "MDTreeParser.g" |
1048 |
|
|
1049 |
|
vector<int> ivec; |
1050 |
|
BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top()); |
1051 |
|
|
1052 |
< |
#line 950 "MDTreeParser.cpp" |
1052 |
> |
#line 1053 "MDTreeParser.cpp" |
1053 |
|
|
1054 |
|
try { // for error handling |
1055 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
1063 |
|
} |
1064 |
|
case MEMBERS: |
1065 |
|
{ |
1066 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t33 = _t; |
1067 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST_in = _t; |
1066 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t37 = _t; |
1067 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST_in = _t; |
1068 |
|
match(_t,MEMBERS); |
1069 |
|
_t = _t->getFirstChild(); |
1070 |
|
ivec=inttuple(_t); |
1071 |
|
_t = _retTree; |
1072 |
< |
_t = __t33; |
1072 |
> |
_t = __t37; |
1073 |
|
_t = _t->getNextSibling(); |
1074 |
< |
#line 128 "MDTreeParser.g" |
1074 |
> |
#line 135 "MDTreeParser.g" |
1075 |
|
currBondStamp->setMembers(ivec); |
1076 |
< |
#line 974 "MDTreeParser.cpp" |
1076 |
> |
#line 1077 "MDTreeParser.cpp" |
1077 |
|
break; |
1078 |
|
} |
1079 |
|
default: |
1091 |
|
} |
1092 |
|
|
1093 |
|
vector<int> MDTreeParser::inttuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1094 |
< |
#line 234 "MDTreeParser.g" |
1094 |
> |
#line 260 "MDTreeParser.g" |
1095 |
|
vector<int> ivec; |
1096 |
< |
#line 994 "MDTreeParser.cpp" |
1097 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST inttuple_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1098 |
< |
#line 234 "MDTreeParser.g" |
1096 |
> |
#line 1097 "MDTreeParser.cpp" |
1097 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST inttuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1098 |
> |
#line 260 "MDTreeParser.g" |
1099 |
|
|
1100 |
|
int ival; |
1101 |
|
|
1102 |
< |
#line 1000 "MDTreeParser.cpp" |
1102 |
> |
#line 1103 "MDTreeParser.cpp" |
1103 |
|
|
1104 |
|
try { // for error handling |
1105 |
|
{ // ( ... )+ |
1106 |
< |
int _cnt68=0; |
1106 |
> |
int _cnt78=0; |
1107 |
|
for (;;) { |
1108 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
1109 |
|
_t = ASTNULL; |
1110 |
|
if ((_t->getType() == NUM_INT || _t->getType() == NUM_LONG)) { |
1111 |
|
ival=intConst(_t); |
1112 |
|
_t = _retTree; |
1113 |
< |
#line 238 "MDTreeParser.g" |
1113 |
> |
#line 264 "MDTreeParser.g" |
1114 |
|
ivec.push_back(ival); |
1115 |
< |
#line 1013 "MDTreeParser.cpp" |
1115 |
> |
#line 1116 "MDTreeParser.cpp" |
1116 |
|
} |
1117 |
|
else { |
1118 |
< |
if ( _cnt68>=1 ) { goto _loop68; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} |
1118 |
> |
if ( _cnt78>=1 ) { goto _loop78; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);} |
1119 |
|
} |
1120 |
|
|
1121 |
< |
_cnt68++; |
1121 |
> |
_cnt78++; |
1122 |
|
} |
1123 |
< |
_loop68:; |
1123 |
> |
_loop78:; |
1124 |
|
} // ( ... )+ |
1125 |
|
} |
1126 |
|
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
1133 |
|
} |
1134 |
|
|
1135 |
|
void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1136 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST bendstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1137 |
< |
#line 141 "MDTreeParser.g" |
1136 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST bendstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1137 |
> |
#line 148 "MDTreeParser.g" |
1138 |
|
|
1139 |
|
vector<int> ivec; |
1140 |
|
BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top()); |
1141 |
|
|
1142 |
< |
#line 1040 "MDTreeParser.cpp" |
1142 |
> |
#line 1143 "MDTreeParser.cpp" |
1143 |
|
|
1144 |
|
try { // for error handling |
1145 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
1153 |
|
} |
1154 |
|
case MEMBERS: |
1155 |
|
{ |
1156 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t39 = _t; |
1157 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST_in = _t; |
1156 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t43 = _t; |
1157 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST_in = _t; |
1158 |
|
match(_t,MEMBERS); |
1159 |
|
_t = _t->getFirstChild(); |
1160 |
|
ivec=inttuple(_t); |
1161 |
|
_t = _retTree; |
1162 |
< |
_t = __t39; |
1162 |
> |
_t = __t43; |
1163 |
|
_t = _t->getNextSibling(); |
1164 |
< |
#line 147 "MDTreeParser.g" |
1164 |
> |
#line 154 "MDTreeParser.g" |
1165 |
|
currBendStamp->setMembers(ivec); |
1166 |
< |
#line 1064 "MDTreeParser.cpp" |
1166 |
> |
#line 1167 "MDTreeParser.cpp" |
1167 |
|
break; |
1168 |
|
} |
1169 |
|
default: |
1181 |
|
} |
1182 |
|
|
1183 |
|
void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1184 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST torsionstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1185 |
< |
#line 160 "MDTreeParser.g" |
1184 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST torsionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1185 |
> |
#line 167 "MDTreeParser.g" |
1186 |
|
|
1187 |
|
vector<int> ivec; |
1188 |
|
TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top()); |
1189 |
|
|
1190 |
< |
#line 1088 "MDTreeParser.cpp" |
1190 |
> |
#line 1191 "MDTreeParser.cpp" |
1191 |
|
|
1192 |
|
try { // for error handling |
1193 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
1201 |
|
} |
1202 |
|
case MEMBERS: |
1203 |
|
{ |
1204 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t45 = _t; |
1205 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST_in = _t; |
1204 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t49 = _t; |
1205 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST_in = _t; |
1206 |
|
match(_t,MEMBERS); |
1207 |
|
_t = _t->getFirstChild(); |
1208 |
|
ivec=inttuple(_t); |
1209 |
|
_t = _retTree; |
1210 |
< |
_t = __t45; |
1210 |
> |
_t = __t49; |
1211 |
|
_t = _t->getNextSibling(); |
1212 |
< |
#line 166 "MDTreeParser.g" |
1212 |
> |
#line 173 "MDTreeParser.g" |
1213 |
|
currTorsionStamp->setMembers(ivec); |
1214 |
< |
#line 1112 "MDTreeParser.cpp" |
1214 |
> |
#line 1215 "MDTreeParser.cpp" |
1215 |
|
break; |
1216 |
|
} |
1217 |
|
default: |
1228 |
|
_retTree = _t; |
1229 |
|
} |
1230 |
|
|
1231 |
+ |
void MDTreeParser::inversionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1232 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST inversionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1233 |
+ |
#line 186 "MDTreeParser.g" |
1234 |
+ |
|
1235 |
+ |
int icent; |
1236 |
+ |
InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top()); |
1237 |
+ |
|
1238 |
+ |
#line 1239 "MDTreeParser.cpp" |
1239 |
+ |
|
1240 |
+ |
try { // for error handling |
1241 |
+ |
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
1242 |
+ |
_t = ASTNULL; |
1243 |
+ |
switch ( _t->getType()) { |
1244 |
+ |
case ASSIGNEQUAL: |
1245 |
+ |
{ |
1246 |
+ |
assignment(_t); |
1247 |
+ |
_t = _retTree; |
1248 |
+ |
break; |
1249 |
+ |
} |
1250 |
+ |
case CENTER: |
1251 |
+ |
{ |
1252 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST __t55 = _t; |
1253 |
+ |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST_in = _t; |
1254 |
+ |
match(_t,CENTER); |
1255 |
+ |
_t = _t->getFirstChild(); |
1256 |
+ |
icent=intConst(_t); |
1257 |
+ |
_t = _retTree; |
1258 |
+ |
_t = __t55; |
1259 |
+ |
_t = _t->getNextSibling(); |
1260 |
+ |
#line 192 "MDTreeParser.g" |
1261 |
+ |
currInversionStamp->setCenter(icent); |
1262 |
+ |
#line 1263 "MDTreeParser.cpp" |
1263 |
+ |
break; |
1264 |
+ |
} |
1265 |
+ |
default: |
1266 |
+ |
{ |
1267 |
+ |
throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t); |
1268 |
+ |
} |
1269 |
+ |
} |
1270 |
+ |
} |
1271 |
+ |
catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { |
1272 |
+ |
reportError(ex); |
1273 |
+ |
if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST ) |
1274 |
+ |
_t = _t->getNextSibling(); |
1275 |
+ |
} |
1276 |
+ |
_retTree = _t; |
1277 |
+ |
} |
1278 |
+ |
|
1279 |
|
void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1280 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodystatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1281 |
< |
#line 183 "MDTreeParser.g" |
1280 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodystatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1281 |
> |
#line 209 "MDTreeParser.g" |
1282 |
|
|
1283 |
|
vector<int> ivec; |
1284 |
|
RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top()); |
1285 |
|
|
1286 |
< |
#line 1136 "MDTreeParser.cpp" |
1286 |
> |
#line 1287 "MDTreeParser.cpp" |
1287 |
|
|
1288 |
|
try { // for error handling |
1289 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
1297 |
|
} |
1298 |
|
case MEMBERS: |
1299 |
|
{ |
1300 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t51 = _t; |
1301 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST_in = _t; |
1300 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t61 = _t; |
1301 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST_in = _t; |
1302 |
|
match(_t,MEMBERS); |
1303 |
|
_t = _t->getFirstChild(); |
1304 |
|
ivec=inttuple(_t); |
1305 |
|
_t = _retTree; |
1306 |
< |
_t = __t51; |
1306 |
> |
_t = __t61; |
1307 |
|
_t = _t->getNextSibling(); |
1308 |
< |
#line 189 "MDTreeParser.g" |
1308 |
> |
#line 215 "MDTreeParser.g" |
1309 |
|
currRigidBodyStamp->setMembers(ivec); |
1310 |
< |
#line 1160 "MDTreeParser.cpp" |
1310 |
> |
#line 1311 "MDTreeParser.cpp" |
1311 |
|
break; |
1312 |
|
} |
1313 |
|
default: |
1325 |
|
} |
1326 |
|
|
1327 |
|
void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1328 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1329 |
< |
#line 202 "MDTreeParser.g" |
1328 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1329 |
> |
#line 228 "MDTreeParser.g" |
1330 |
|
|
1331 |
|
vector<int> ivec; |
1332 |
|
CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top()); |
1333 |
|
|
1334 |
< |
#line 1184 "MDTreeParser.cpp" |
1334 |
> |
#line 1335 "MDTreeParser.cpp" |
1335 |
|
|
1336 |
|
try { // for error handling |
1337 |
|
if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST ) |
1345 |
|
} |
1346 |
|
case MEMBERS: |
1347 |
|
{ |
1348 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST __t57 = _t; |
1349 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST_in = _t; |
1348 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST __t67 = _t; |
1349 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST_in = _t; |
1350 |
|
match(_t,MEMBERS); |
1351 |
|
_t = _t->getFirstChild(); |
1352 |
|
ivec=inttuple(_t); |
1353 |
|
_t = _retTree; |
1354 |
< |
_t = __t57; |
1354 |
> |
_t = __t67; |
1355 |
|
_t = _t->getNextSibling(); |
1356 |
< |
#line 208 "MDTreeParser.g" |
1356 |
> |
#line 234 "MDTreeParser.g" |
1357 |
|
currCutoffGroupStamp->setMembers(ivec); |
1358 |
< |
#line 1208 "MDTreeParser.cpp" |
1358 |
> |
#line 1359 "MDTreeParser.cpp" |
1359 |
|
break; |
1360 |
|
} |
1361 |
|
default: |
1373 |
|
} |
1374 |
|
|
1375 |
|
void MDTreeParser::fragmentstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1376 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST fragmentstatement_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1376 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST fragmentstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1377 |
|
|
1378 |
|
try { // for error handling |
1379 |
|
assignment(_t); |
1387 |
|
_retTree = _t; |
1388 |
|
} |
1389 |
|
|
1390 |
< |
double MDTreeParser::doubleNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1391 |
< |
#line 248 "MDTreeParser.g" |
1392 |
< |
double dval; |
1393 |
< |
#line 1243 "MDTreeParser.cpp" |
1394 |
< |
ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumber_AST_in = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1390 |
> |
RealType MDTreeParser::doubleNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) { |
1391 |
> |
#line 274 "MDTreeParser.g" |
1392 |
> |
RealType dval; |
1393 |
> |
#line 1394 "MDTreeParser.cpp" |
1394 |
> |
ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumber_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1395 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST ic = ANTLR_USE_NAMESPACE(antlr)nullAST; |
1396 |
|
ANTLR_USE_NAMESPACE(antlr)RefAST fc = ANTLR_USE_NAMESPACE(antlr)nullAST; |
1397 |
|
|
1405 |
|
ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1406 |
|
intConst(_t); |
1407 |
|
_t = _retTree; |
1408 |
< |
#line 250 "MDTreeParser.g" |
1409 |
< |
dval = lexi_cast<double>(ic->getText()); |
1410 |
< |
#line 1260 "MDTreeParser.cpp" |
1408 |
> |
#line 276 "MDTreeParser.g" |
1409 |
> |
dval = lexi_cast<RealType>(ic->getText()); |
1410 |
> |
#line 1411 "MDTreeParser.cpp" |
1411 |
|
break; |
1412 |
|
} |
1413 |
|
case NUM_FLOAT: |
1416 |
|
fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t; |
1417 |
|
floatConst(_t); |
1418 |
|
_t = _retTree; |
1419 |
< |
#line 251 "MDTreeParser.g" |
1420 |
< |
dval = lexi_cast<double>(fc->getText()); |
1421 |
< |
#line 1271 "MDTreeParser.cpp" |
1419 |
> |
#line 277 "MDTreeParser.g" |
1420 |
> |
dval = lexi_cast<RealType>(fc->getText()); |
1421 |
> |
#line 1422 "MDTreeParser.cpp" |
1422 |
|
break; |
1423 |
|
} |
1424 |
|
default: |
1447 |
|
"\"component\"", |
1448 |
|
"\"molecule\"", |
1449 |
|
"\"zconstraint\"", |
1450 |
+ |
"\"restraint\"", |
1451 |
|
"\"atom\"", |
1452 |
|
"\"bond\"", |
1453 |
|
"\"bend\"", |
1454 |
|
"\"torsion\"", |
1455 |
+ |
"\"inversion\"", |
1456 |
|
"\"rigidBody\"", |
1457 |
|
"\"cutoffGroup\"", |
1458 |
|
"\"fragment\"", |
1459 |
|
"\"members\"", |
1460 |
+ |
"\"center\"", |
1461 |
|
"\"position\"", |
1462 |
|
"\"orientation\"", |
1463 |
|
"ENDBLOCK", |
1497 |
|
0 |
1498 |
|
}; |
1499 |
|
|
1500 |
< |
const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 524400UL, 0UL, 0UL, 0UL }; |
1501 |
< |
// "component" "molecule" "zconstraint" ASSIGNEQUAL |
1500 |
> |
const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 4194544UL, 0UL, 0UL, 0UL }; |
1501 |
> |
// "component" "molecule" "zconstraint" "restraint" ASSIGNEQUAL |
1502 |
|
const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_0(_tokenSet_0_data_,4); |
1503 |
< |
const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 540544UL, 0UL, 0UL, 0UL }; |
1504 |
< |
// "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment" |
1505 |
< |
// ASSIGNEQUAL |
1503 |
> |
const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 4259584UL, 0UL, 0UL, 0UL }; |
1504 |
> |
// "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" |
1505 |
> |
// "fragment" ASSIGNEQUAL |
1506 |
|
const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_1(_tokenSet_1_data_,4); |
1507 |
|
|
1508 |
|
|