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root/OpenMD/trunk/src/mdParser/MDTreeParser.cpp

Comparing trunk/src/mdParser/MDTreeParser.cpp (file contents):
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
Revision 1979 by gezelter, Sat Apr 5 20:56:01 2014 UTC

#	Line 1 | Line 1
1	<	/* $ANTLR 2.7.7 (20090623): "MDTreeParser.g" -> "MDTreeParser.cpp"$ */
1	>	/* $ANTLR 2.7.7 (20140107): "MDTreeParser.g" -> "MDTreeParser.cpp"$ */
2		#include "MDTreeParser.hpp"
3		#include <antlr/Token.hpp>
4		#include <antlr/AST.hpp>
#	Line 80 | Line 80 | void MDTreeParser::statement(ANTLR_USE_NAMESPACE(antlr
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);
#	Line 123 | Line 141 | void MDTreeParser::componentblock(ANTLR_USE_NAMESPACE(
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 __t9 = _t;
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 63 "MDTreeParser.g"
148	>	#line 72 "MDTreeParser.g"
149		Component* currComponet = new Component(); blockStack.push(currComponet);
150	<	#line 133 "MDTreeParser.cpp"
150	>	#line 151 "MDTreeParser.cpp"
151		{ // ( ... )*
152		for (;;) {
153		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 139 | Line 157 | void MDTreeParser::componentblock(ANTLR_USE_NAMESPACE(
157		_t = _retTree;
158		}
159		else {
160	<	goto _loop11;
160	>	goto _loop12;
161		}
162
163		}
164	<	_loop11:;
164	>	_loop12:;
165		} // ( ... )*
166		ANTLR_USE_NAMESPACE(antlr)RefAST tmp3_AST_in = _t;
167		match(_t,ENDBLOCK);
168		_t = _t->getNextSibling();
169	<	_t = __t9;
169	>	_t = __t10;
170		_t = _t->getNextSibling();
171	<	#line 65 "MDTreeParser.g"
171	>	#line 74 "MDTreeParser.g"
172		blockStack.top()->validate();blockStack.pop(); currConf->addComponent(currComponet);
173	<	#line 156 "MDTreeParser.cpp"
173	>	#line 174 "MDTreeParser.cpp"
174		}
175		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
176		reportError(ex);
#	Line 166 | Line 184 | void MDTreeParser::moleculeblock(ANTLR_USE_NAMESPACE(a
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 __t21 = _t;
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 78 "MDTreeParser.g"
191	>	#line 103 "MDTreeParser.g"
192		MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);
193	<	#line 176 "MDTreeParser.cpp"
193	>	#line 194 "MDTreeParser.cpp"
194		{ // ( ... )*
195		for (;;) {
196		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 182 | Line 200 | void MDTreeParser::moleculeblock(ANTLR_USE_NAMESPACE(a
200		_t = _retTree;
201		}
202		else {
203	<	goto _loop23;
203	>	goto _loop36;
204		}
205
206		}
207	<	_loop23:;
207	>	_loop36:;
208		} // ( ... )*
209		ANTLR_USE_NAMESPACE(antlr)RefAST tmp5_AST_in = _t;
210		match(_t,ENDBLOCK);
211		_t = _t->getNextSibling();
212	<	_t = __t21;
212	>	_t = __t34;
213		_t = _t->getNextSibling();
214	<	#line 80 "MDTreeParser.g"
214	>	#line 105 "MDTreeParser.g"
215		blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp);
216	<	#line 199 "MDTreeParser.cpp"
216	>	#line 217 "MDTreeParser.cpp"
217		}
218		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
219		reportError(ex);
#	Line 209 | Line 227 | void MDTreeParser::zconstraintblock(ANTLR_USE_NAMESPAC
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 __t13 = _t;
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 68 "MDTreeParser.g"
234	>	#line 77 "MDTreeParser.g"
235		ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp);
236	<	#line 219 "MDTreeParser.cpp"
236	>	#line 237 "MDTreeParser.cpp"
237		{ // ( ... )*
238		for (;;) {
239		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 225 | Line 243 | void MDTreeParser::zconstraintblock(ANTLR_USE_NAMESPAC
243		_t = _retTree;
244		}
245		else {
246	<	goto _loop15;
246	>	goto _loop16;
247		}
248
249		}
250	<	_loop15:;
250	>	_loop16:;
251		} // ( ... )*
252		ANTLR_USE_NAMESPACE(antlr)RefAST tmp7_AST_in = _t;
253		match(_t,ENDBLOCK);
254		_t = _t->getNextSibling();
255	<	_t = __t13;
255	>	_t = __t14;
256		_t = _t->getNextSibling();
257	<	#line 70 "MDTreeParser.g"
257	>	#line 79 "MDTreeParser.g"
258		blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp);
259	<	#line 242 "MDTreeParser.cpp"
259	>	#line 260 "MDTreeParser.cpp"
260		}
261		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
262		reportError(ex);
#	Line 252 | Line 270 | void MDTreeParser::restraintblock(ANTLR_USE_NAMESPACE(
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 __t17 = _t;
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 73 "MDTreeParser.g"
277	>	#line 82 "MDTreeParser.g"
278		RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);
279	<	#line 262 "MDTreeParser.cpp"
279	>	#line 280 "MDTreeParser.cpp"
280		{ // ( ... )*
281		for (;;) {
282		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 268 | Line 286 | void MDTreeParser::restraintblock(ANTLR_USE_NAMESPACE(
286		_t = _retTree;
287		}
288		else {
289	<	goto _loop19;
289	>	goto _loop20;
290		}
291
292		}
293	<	_loop19:;
293	>	_loop20:;
294		} // ( ... )*
295		ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST_in = _t;
296		match(_t,ENDBLOCK);
297		_t = _t->getNextSibling();
298	<	_t = __t17;
298	>	_t = __t18;
299		_t = _t->getNextSibling();
300	<	#line 75 "MDTreeParser.g"
300	>	#line 84 "MDTreeParser.g"
301		blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);
302	<	#line 285 "MDTreeParser.cpp"
302	>	#line 303 "MDTreeParser.cpp"
303		}
304		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
305		reportError(ex);
#	Line 291 | Line 309 | void MDTreeParser::restraintblock(ANTLR_USE_NAMESPACE(
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 87 "MDTreeParser.g"
321	+	FluctuatingChargeParameters* flucQpars = new FluctuatingChargeParameters(); blockStack.push(flucQpars);
322	+	#line 323 "MDTreeParser.cpp"
323	+	{ // ( ... )*
324	+	for (;;) {
325	+	if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
326	+	_t = ASTNULL;
327	+	if ((_t->getType() == ASSIGNEQUAL)) {
328	+	assignment(_t);
329	+	_t = _retTree;
330	+	}
331	+	else {
332	+	goto _loop24;
333	+	}
334	+
335	+	}
336	+	_loop24:;
337	+	} // ( ... )*
338	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp11_AST_in = _t;
339	+	match(_t,ENDBLOCK);
340	+	_t = _t->getNextSibling();
341	+	_t = __t22;
342	+	_t = _t->getNextSibling();
343	+	#line 89 "MDTreeParser.g"
344	+	blockStack.top()->validate();blockStack.pop(); currConf->addFluctuatingChargeParameters(flucQpars);
345	+	#line 346 "MDTreeParser.cpp"
346	+	}
347	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
348	+	reportError(ex);
349	+	if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST )
350	+	_t = _t->getNextSibling();
351	+	}
352	+	_retTree = _t;
353	+	}
354	+
355	+	void MDTreeParser::rnemdblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
356	+	ANTLR_USE_NAMESPACE(antlr)RefAST rnemdblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
357	+
358	+	try {      // for error handling
359	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t26 = _t;
360	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp12_AST_in = _t;
361	+	match(_t,RNEMD);
362	+	_t = _t->getFirstChild();
363	+	#line 92 "MDTreeParser.g"
364	+	RNEMDParameters* rnemdPars = new RNEMDParameters(); blockStack.push(rnemdPars);
365	+	#line 366 "MDTreeParser.cpp"
366	+	{ // ( ... )*
367	+	for (;;) {
368	+	if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
369	+	_t = ASTNULL;
370	+	if ((_t->getType() == ASSIGNEQUAL)) {
371	+	assignment(_t);
372	+	_t = _retTree;
373	+	}
374	+	else {
375	+	goto _loop28;
376	+	}
377	+
378	+	}
379	+	_loop28:;
380	+	} // ( ... )*
381	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST_in = _t;
382	+	match(_t,ENDBLOCK);
383	+	_t = _t->getNextSibling();
384	+	_t = __t26;
385	+	_t = _t->getNextSibling();
386	+	#line 94 "MDTreeParser.g"
387	+	blockStack.top()->validate();blockStack.pop(); currConf->addRNEMDParameters(rnemdPars);
388	+	#line 389 "MDTreeParser.cpp"
389	+	}
390	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
391	+	reportError(ex);
392	+	if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST )
393	+	_t = _t->getNextSibling();
394	+	}
395	+	_retTree = _t;
396	+	}
397	+
398	+	void MDTreeParser::minimizerblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
399	+	ANTLR_USE_NAMESPACE(antlr)RefAST minimizerblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
400	+
401	+	try {      // for error handling
402	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t30 = _t;
403	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST_in = _t;
404	+	match(_t,MINIMIZER);
405	+	_t = _t->getFirstChild();
406	+	#line 97 "MDTreeParser.g"
407	+	MinimizerParameters* minimizerPars = new MinimizerParameters(); blockStack.push(minimizerPars);
408	+	#line 409 "MDTreeParser.cpp"
409	+	{ // ( ... )*
410	+	for (;;) {
411	+	if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
412	+	_t = ASTNULL;
413	+	if ((_t->getType() == ASSIGNEQUAL)) {
414	+	assignment(_t);
415	+	_t = _retTree;
416	+	}
417	+	else {
418	+	goto _loop32;
419	+	}
420	+
421	+	}
422	+	_loop32:;
423	+	} // ( ... )*
424	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST_in = _t;
425	+	match(_t,ENDBLOCK);
426	+	_t = _t->getNextSibling();
427	+	_t = __t30;
428	+	_t = _t->getNextSibling();
429	+	#line 99 "MDTreeParser.g"
430	+	blockStack.top()->validate();blockStack.pop(); currConf->addMinimizerParameters(minimizerPars);
431	+	#line 432 "MDTreeParser.cpp"
432	+	}
433	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
434	+	reportError(ex);
435	+	if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST )
436	+	_t = _t->getNextSibling();
437	+	}
438	+	_retTree = _t;
439	+	}
440	+
441		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 48 "MDTreeParser.g"
447	>	#line 50 "MDTreeParser.g"
448
449		int ival;
450	<	RealType dval;
450	>	RealType dval, x, y, z;
451	>	Vector3d dvec;
452
453	<	#line 306 "MDTreeParser.cpp"
453	>	#line 454 "MDTreeParser.cpp"
454
455		try {      // for error handling
456		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 313 | Line 461 | void MDTreeParser::constant(ANTLR_USE_NAMESPACE(antlr)
461		{
462		ival=intConst(_t);
463		_t = _retTree;
464	<	#line 53 "MDTreeParser.g"
464	>	#line 56 "MDTreeParser.g"
465		blockStack.top()->assign(id->getText(), ival);
466	<	#line 319 "MDTreeParser.cpp"
466	>	#line 467 "MDTreeParser.cpp"
467		break;
468		}
469		case NUM_FLOAT:
#	Line 323 | Line 471 | void MDTreeParser::constant(ANTLR_USE_NAMESPACE(antlr)
471		{
472		dval=floatConst(_t);
473		_t = _retTree;
474	<	#line 54 "MDTreeParser.g"
474	>	#line 57 "MDTreeParser.g"
475		blockStack.top()->assign(id->getText(), dval);
476	<	#line 329 "MDTreeParser.cpp"
476	>	#line 477 "MDTreeParser.cpp"
477	>	break;
478	>	}
479	>	case LPAREN:
480	>	{
481	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t8 = _t;
482	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST_in = _t;
483	>	match(_t,LPAREN);
484	>	_t = _t->getFirstChild();
485	>	x=doubleNumber(_t);
486	>	_t = _retTree;
487	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST_in = _t;
488	>	match(_t,COMMA);
489	>	_t = _t->getNextSibling();
490	>	y=doubleNumber(_t);
491	>	_t = _retTree;
492	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST_in = _t;
493	>	match(_t,COMMA);
494	>	_t = _t->getNextSibling();
495	>	z=doubleNumber(_t);
496	>	_t = _retTree;
497	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST_in = _t;
498	>	match(_t,RPAREN);
499	>	_t = _t->getNextSibling();
500	>	_t = __t8;
501	>	_t = _t->getNextSibling();
502	>	#line 59 "MDTreeParser.g"
503	>	dvec.x() = x;
504	>	dvec.y() = y;
505	>	dvec.z() = z;
506	>	blockStack.top()->assign(id->getText(), dvec);
507	>
508	>	#line 509 "MDTreeParser.cpp"
509		break;
510		}
511		case ID:
#	Line 333 | Line 513 | void MDTreeParser::constant(ANTLR_USE_NAMESPACE(antlr)
513		str1 = _t;
514		match(_t,ID);
515		_t = _t->getNextSibling();
516	<	#line 55 "MDTreeParser.g"
516	>	#line 64 "MDTreeParser.g"
517		blockStack.top()->assign(id->getText(), str1->getText());
518	<	#line 339 "MDTreeParser.cpp"
518	>	#line 519 "MDTreeParser.cpp"
519		break;
520		}
521		case StringLiteral:
#	Line 343 | Line 523 | void MDTreeParser::constant(ANTLR_USE_NAMESPACE(antlr)
523		str2 = _t;
524		match(_t,StringLiteral);
525		_t = _t->getNextSibling();
526	<	#line 56 "MDTreeParser.g"
526	>	#line 65 "MDTreeParser.g"
527		std::string s =  str2->getText();
528		s = s.substr(1, s.length()-2);
529		blockStack.top()->assign(id->getText(),s);
530
531	<	#line 352 "MDTreeParser.cpp"
531	>	#line 532 "MDTreeParser.cpp"
532		break;
533		}
534		default:
#	Line 366 | Line 546 | int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)
546		}
547
548		int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
549	<	#line 268 "MDTreeParser.g"
549	>	#line 314 "MDTreeParser.g"
550		int ival;
551	<	#line 372 "MDTreeParser.cpp"
551	>	#line 552 "MDTreeParser.cpp"
552		ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
553		ANTLR_USE_NAMESPACE(antlr)RefAST i1 = ANTLR_USE_NAMESPACE(antlr)nullAST;
554		ANTLR_USE_NAMESPACE(antlr)RefAST i2 = ANTLR_USE_NAMESPACE(antlr)nullAST;
#	Line 382 | Line 562 | int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)
562		i1 = _t;
563		match(_t,NUM_INT);
564		_t = _t->getNextSibling();
565	<	#line 269 "MDTreeParser.g"
565	>	#line 315 "MDTreeParser.g"
566		ival = lexi_cast<int>(i1->getText());
567	<	#line 388 "MDTreeParser.cpp"
567	>	#line 568 "MDTreeParser.cpp"
568		break;
569		}
570		case NUM_LONG:
#	Line 392 | Line 572 | int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)
572		i2 = _t;
573		match(_t,NUM_LONG);
574		_t = _t->getNextSibling();
575	<	#line 270 "MDTreeParser.g"
575	>	#line 316 "MDTreeParser.g"
576		ival = lexi_cast<int>(i2->getText());
577	<	#line 398 "MDTreeParser.cpp"
577	>	#line 578 "MDTreeParser.cpp"
578		break;
579		}
580		default:
#	Line 413 | Line 593 | RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE
593		}
594
595		RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
596	<	#line 282 "MDTreeParser.g"
596	>	#line 326 "MDTreeParser.g"
597		RealType dval;
598	<	#line 419 "MDTreeParser.cpp"
598	>	#line 599 "MDTreeParser.cpp"
599		ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
600		ANTLR_USE_NAMESPACE(antlr)RefAST d1 = ANTLR_USE_NAMESPACE(antlr)nullAST;
601		ANTLR_USE_NAMESPACE(antlr)RefAST d2 = ANTLR_USE_NAMESPACE(antlr)nullAST;
#	Line 429 | Line 609 | RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE
609		d1 = _t;
610		match(_t,NUM_FLOAT);
611		_t = _t->getNextSibling();
612	<	#line 283 "MDTreeParser.g"
612	>	#line 327 "MDTreeParser.g"
613		dval = lexi_cast<RealType>(d1->getText());
614	<	#line 435 "MDTreeParser.cpp"
614	>	#line 615 "MDTreeParser.cpp"
615		break;
616		}
617		case NUM_DOUBLE:
#	Line 439 | Line 619 | RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE
619		d2 = _t;
620		match(_t,NUM_DOUBLE);
621		_t = _t->getNextSibling();
622	<	#line 284 "MDTreeParser.g"
622	>	#line 328 "MDTreeParser.g"
623		dval = lexi_cast<RealType>(d2->getText());
624	<	#line 445 "MDTreeParser.cpp"
624	>	#line 625 "MDTreeParser.cpp"
625		break;
626		}
627		default:
#	Line 459 | Line 639 | RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE
639		return dval;
640		}
641
642	+	RealType  MDTreeParser::doubleNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
643	+	#line 320 "MDTreeParser.g"
644	+	RealType dval;
645	+	#line 646 "MDTreeParser.cpp"
646	+	ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumber_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
647	+	ANTLR_USE_NAMESPACE(antlr)RefAST ic = ANTLR_USE_NAMESPACE(antlr)nullAST;
648	+	ANTLR_USE_NAMESPACE(antlr)RefAST fc = ANTLR_USE_NAMESPACE(antlr)nullAST;
649	+
650	+	try {      // for error handling
651	+	if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
652	+	_t = ASTNULL;
653	+	switch ( _t->getType()) {
654	+	case NUM_INT:
655	+	case NUM_LONG:
656	+	{
657	+	ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
658	+	intConst(_t);
659	+	_t = _retTree;
660	+	#line 321 "MDTreeParser.g"
661	+	dval = lexi_cast<RealType>(ic->getText());
662	+	#line 663 "MDTreeParser.cpp"
663	+	break;
664	+	}
665	+	case NUM_FLOAT:
666	+	case NUM_DOUBLE:
667	+	{
668	+	fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
669	+	floatConst(_t);
670	+	_t = _retTree;
671	+	#line 322 "MDTreeParser.g"
672	+	dval = lexi_cast<RealType>(fc->getText());
673	+	#line 674 "MDTreeParser.cpp"
674	+	break;
675	+	}
676	+	default:
677	+	{
678	+	throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);
679	+	}
680	+	}
681	+	}
682	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
683	+	reportError(ex);
684	+	if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST )
685	+	_t = _t->getNextSibling();
686	+	}
687	+	_retTree = _t;
688	+	return dval;
689	+	}
690	+
691		void MDTreeParser::moleculestatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
692		ANTLR_USE_NAMESPACE(antlr)RefAST moleculestatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
693
#	Line 520 | Line 749 | void MDTreeParser::moleculestatement(ANTLR_USE_NAMESPA
749		_t = _retTree;
750		break;
751		}
752	+	case CONSTRAINT:
753	+	{
754	+	constraintblock(_t);
755	+	_t = _retTree;
756	+	break;
757	+	}
758		default:
759		{
760		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);
#	Line 536 | Line 771 | void MDTreeParser::atomblock(ANTLR_USE_NAMESPACE(antlr
771
772		void MDTreeParser::atomblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
773		ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
774	<	#line 94 "MDTreeParser.g"
774	>	#line 120 "MDTreeParser.g"
775
776		int index;
777
778	<	#line 544 "MDTreeParser.cpp"
778	>	#line 779 "MDTreeParser.cpp"
779
780		try {      // for error handling
781	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t26 = _t;
782	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp10_AST_in = _t;
781	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t39 = _t;
782	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST_in = _t;
783		match(_t,ATOM);
784		_t = _t->getFirstChild();
785		index=intConst(_t);
786		_t = _retTree;
787	<	#line 98 "MDTreeParser.g"
787	>	#line 124 "MDTreeParser.g"
788		AtomStamp* currAtomStamp = new AtomStamp(index); blockStack.push(currAtomStamp);
789	<	#line 555 "MDTreeParser.cpp"
789	>	#line 790 "MDTreeParser.cpp"
790		{ // ( ... )*
791		for (;;) {
792		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 561 | Line 796 | void MDTreeParser::atomblock(ANTLR_USE_NAMESPACE(antlr
796		_t = _retTree;
797		}
798		else {
799	<	goto _loop28;
799	>	goto _loop41;
800		}
801
802		}
803	<	_loop28:;
803	>	_loop41:;
804		} // ( ... )*
805	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp11_AST_in = _t;
805	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST_in = _t;
806		match(_t,ENDBLOCK);
807		_t = _t->getNextSibling();
808	<	_t = __t26;
808	>	_t = __t39;
809		_t = _t->getNextSibling();
810	<	#line 100 "MDTreeParser.g"
810	>	#line 126 "MDTreeParser.g"
811
812		blockStack.top()->validate();
813		blockStack.pop();
814		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
815		currMoleculeStamp->addAtomStamp(currAtomStamp);
816
817	<	#line 583 "MDTreeParser.cpp"
817	>	#line 818 "MDTreeParser.cpp"
818		}
819		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
820		reportError(ex);
#	Line 593 | Line 828 | void MDTreeParser::bondblock(ANTLR_USE_NAMESPACE(antlr
828		ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
829
830		try {      // for error handling
831	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t33 = _t;
832	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp12_AST_in = _t;
831	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t46 = _t;
832	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST_in = _t;
833		match(_t,BOND);
834		_t = _t->getFirstChild();
835	<	#line 120 "MDTreeParser.g"
835	>	#line 146 "MDTreeParser.g"
836		BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp);
837	<	#line 603 "MDTreeParser.cpp"
837	>	#line 838 "MDTreeParser.cpp"
838		{ // ( ... )*
839		for (;;) {
840		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 609 | Line 844 | void MDTreeParser::bondblock(ANTLR_USE_NAMESPACE(antlr
844		_t = _retTree;
845		}
846		else {
847	<	goto _loop35;
847	>	goto _loop48;
848		}
849
850		}
851	<	_loop35:;
851	>	_loop48:;
852		} // ( ... )*
853	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST_in = _t;
853	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST_in = _t;
854		match(_t,ENDBLOCK);
855		_t = _t->getNextSibling();
856	<	_t = __t33;
856	>	_t = __t46;
857		_t = _t->getNextSibling();
858	<	#line 122 "MDTreeParser.g"
858	>	#line 148 "MDTreeParser.g"
859
860		blockStack.pop();
861		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
862		currMoleculeStamp->addBondStamp(currBondStamp);
863
864	<	#line 630 "MDTreeParser.cpp"
864	>	#line 865 "MDTreeParser.cpp"
865		}
866		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
867		reportError(ex);
#	Line 640 | Line 875 | void MDTreeParser::bendblock(ANTLR_USE_NAMESPACE(antlr
875		ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
876
877		try {      // for error handling
878	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t39 = _t;
879	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST_in = _t;
878	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t52 = _t;
879	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST_in = _t;
880		match(_t,BEND);
881		_t = _t->getFirstChild();
882	<	#line 138 "MDTreeParser.g"
882	>	#line 164 "MDTreeParser.g"
883		BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp);
884	<	#line 650 "MDTreeParser.cpp"
884	>	#line 885 "MDTreeParser.cpp"
885		{ // ( ... )*
886		for (;;) {
887		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 656 | Line 891 | void MDTreeParser::bendblock(ANTLR_USE_NAMESPACE(antlr
891		_t = _retTree;
892		}
893		else {
894	<	goto _loop41;
894	>	goto _loop54;
895		}
896
897		}
898	<	_loop41:;
898	>	_loop54:;
899		} // ( ... )*
900	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST_in = _t;
900	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST_in = _t;
901		match(_t,ENDBLOCK);
902		_t = _t->getNextSibling();
903	<	_t = __t39;
903	>	_t = __t52;
904		_t = _t->getNextSibling();
905	<	#line 140 "MDTreeParser.g"
905	>	#line 166 "MDTreeParser.g"
906
907		blockStack.top()->validate();
908		blockStack.pop();
909		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
910		currMoleculeStamp->addBendStamp(currBendStamp);
911
912	<	#line 678 "MDTreeParser.cpp"
912	>	#line 913 "MDTreeParser.cpp"
913		}
914		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
915		reportError(ex);
#	Line 688 | Line 923 | void MDTreeParser::torsionblock(ANTLR_USE_NAMESPACE(an
923		ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
924
925		try {      // for error handling
926	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t45 = _t;
927	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST_in = _t;
926	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t58 = _t;
927	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST_in = _t;
928		match(_t,TORSION);
929		_t = _t->getFirstChild();
930	<	#line 157 "MDTreeParser.g"
930	>	#line 183 "MDTreeParser.g"
931		TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp);
932	<	#line 698 "MDTreeParser.cpp"
932	>	#line 933 "MDTreeParser.cpp"
933		{ // ( ... )*
934		for (;;) {
935		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 704 | Line 939 | void MDTreeParser::torsionblock(ANTLR_USE_NAMESPACE(an
939		_t = _retTree;
940		}
941		else {
942	<	goto _loop47;
942	>	goto _loop60;
943		}
944
945		}
946	<	_loop47:;
946	>	_loop60:;
947		} // ( ... )*
948	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST_in = _t;
948	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST_in = _t;
949		match(_t,ENDBLOCK);
950		_t = _t->getNextSibling();
951	<	_t = __t45;
951	>	_t = __t58;
952		_t = _t->getNextSibling();
953	<	#line 159 "MDTreeParser.g"
953	>	#line 185 "MDTreeParser.g"
954
955		blockStack.top()->validate();
956		blockStack.pop();
957		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
958		currMoleculeStamp->addTorsionStamp(currTorsionStamp);
959
960	<	#line 726 "MDTreeParser.cpp"
960	>	#line 961 "MDTreeParser.cpp"
961		}
962		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
963		reportError(ex);
#	Line 736 | Line 971 | void MDTreeParser::inversionblock(ANTLR_USE_NAMESPACE(
971		ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
972
973		try {      // for error handling
974	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t51 = _t;
975	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST_in = _t;
974	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t64 = _t;
975	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST_in = _t;
976		match(_t,INVERSION);
977		_t = _t->getFirstChild();
978	<	#line 176 "MDTreeParser.g"
978	>	#line 202 "MDTreeParser.g"
979		InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp);
980	<	#line 746 "MDTreeParser.cpp"
980	>	#line 981 "MDTreeParser.cpp"
981		{ // ( ... )*
982		for (;;) {
983		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
984		_t = ASTNULL;
985	<	if ((_t->getType() == CENTER || _t->getType() == ASSIGNEQUAL)) {
985	>	if ((_t->getType() == CENTER || _t->getType() == SATELLITES || _t->getType() == ASSIGNEQUAL)) {
986		inversionstatement(_t);
987		_t = _retTree;
988		}
989		else {
990	<	goto _loop53;
990	>	goto _loop66;
991		}
992
993		}
994	<	_loop53:;
994	>	_loop66:;
995		} // ( ... )*
996	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST_in = _t;
996	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST_in = _t;
997		match(_t,ENDBLOCK);
998		_t = _t->getNextSibling();
999	<	_t = __t51;
999	>	_t = __t64;
1000		_t = _t->getNextSibling();
1001	<	#line 178 "MDTreeParser.g"
1001	>	#line 204 "MDTreeParser.g"
1002
1003		blockStack.top()->validate();
1004		blockStack.pop();
1005		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
1006		currMoleculeStamp->addInversionStamp(currInversionStamp);
1007
1008	<	#line 774 "MDTreeParser.cpp"
1008	>	#line 1009 "MDTreeParser.cpp"
1009		}
1010		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1011		reportError(ex);
#	Line 782 | Line 1017 | void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(
1017
1018		void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1019		ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1020	<	#line 195 "MDTreeParser.g"
1020	>	#line 223 "MDTreeParser.g"
1021
1022		int index;
1023
1024	<	#line 790 "MDTreeParser.cpp"
1024	>	#line 1025 "MDTreeParser.cpp"
1025
1026		try {      // for error handling
1027	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t57 = _t;
1028	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST_in = _t;
1027	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t71 = _t;
1028	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST_in = _t;
1029		match(_t,RIGIDBODY);
1030		_t = _t->getFirstChild();
1031		index=intConst(_t);
1032		_t = _retTree;
1033	<	#line 199 "MDTreeParser.g"
1033	>	#line 227 "MDTreeParser.g"
1034		RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp);
1035	<	#line 801 "MDTreeParser.cpp"
1035	>	#line 1036 "MDTreeParser.cpp"
1036		{ // ( ... )*
1037		for (;;) {
1038		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 807 | Line 1042 | void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(
1042		_t = _retTree;
1043		}
1044		else {
1045	<	goto _loop59;
1045	>	goto _loop73;
1046		}
1047
1048		}
1049	<	_loop59:;
1049	>	_loop73:;
1050		} // ( ... )*
1051	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST_in = _t;
1051	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST_in = _t;
1052		match(_t,ENDBLOCK);
1053		_t = _t->getNextSibling();
1054	<	_t = __t57;
1054	>	_t = __t71;
1055		_t = _t->getNextSibling();
1056	<	#line 201 "MDTreeParser.g"
1056	>	#line 229 "MDTreeParser.g"
1057
1058		blockStack.top()->validate();
1059		blockStack.pop();
1060		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
1061		currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp);
1062
1063	<	#line 829 "MDTreeParser.cpp"
1063	>	#line 1064 "MDTreeParser.cpp"
1064		}
1065		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1066		reportError(ex);
#	Line 839 | Line 1074 | void MDTreeParser::cutoffgroupblock(ANTLR_USE_NAMESPAC
1074		ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1075
1076		try {      // for error handling
1077	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t63 = _t;
1078	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST_in = _t;
1077	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t77 = _t;
1078	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST_in = _t;
1079		match(_t,CUTOFFGROUP);
1080		_t = _t->getFirstChild();
1081	<	#line 218 "MDTreeParser.g"
1081	>	#line 246 "MDTreeParser.g"
1082		CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp);
1083	<	#line 849 "MDTreeParser.cpp"
1083	>	#line 1084 "MDTreeParser.cpp"
1084		{ // ( ... )*
1085		for (;;) {
1086		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 855 | Line 1090 | void MDTreeParser::cutoffgroupblock(ANTLR_USE_NAMESPAC
1090		_t = _retTree;
1091		}
1092		else {
1093	<	goto _loop65;
1093	>	goto _loop79;
1094		}
1095
1096		}
1097	<	_loop65:;
1097	>	_loop79:;
1098		} // ( ... )*
1099	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST_in = _t;
1099	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST_in = _t;
1100		match(_t,ENDBLOCK);
1101		_t = _t->getNextSibling();
1102	<	_t = __t63;
1102	>	_t = __t77;
1103		_t = _t->getNextSibling();
1104	<	#line 220 "MDTreeParser.g"
1104	>	#line 248 "MDTreeParser.g"
1105
1106		blockStack.top()->validate();
1107		blockStack.pop();
1108		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
1109		currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp);
1110
1111	<	#line 877 "MDTreeParser.cpp"
1111	>	#line 1112 "MDTreeParser.cpp"
1112		}
1113		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1114		reportError(ex);
#	Line 885 | Line 1120 | void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(a
1120
1121		void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1122		ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1123	<	#line 237 "MDTreeParser.g"
1123	>	#line 265 "MDTreeParser.g"
1124		int ival;
1125	<	#line 891 "MDTreeParser.cpp"
1125	>	#line 1126 "MDTreeParser.cpp"
1126
1127		try {      // for error handling
1128	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t69 = _t;
1129	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST_in = _t;
1128	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t83 = _t;
1129	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST_in = _t;
1130		match(_t,FRAGMENT);
1131		_t = _t->getFirstChild();
1132		ival=intConst(_t);
1133		_t = _retTree;
1134	<	#line 238 "MDTreeParser.g"
1134	>	#line 266 "MDTreeParser.g"
1135		FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp);
1136	<	#line 902 "MDTreeParser.cpp"
1136	>	#line 1137 "MDTreeParser.cpp"
1137		{ // ( ... )*
1138		for (;;) {
1139		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 908 | Line 1143 | void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(a
1143		_t = _retTree;
1144		}
1145		else {
1146	<	goto _loop71;
1146	>	goto _loop85;
1147		}
1148
1149		}
1150	<	_loop71:;
1150	>	_loop85:;
1151		} // ( ... )*
1152	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST_in = _t;
1152	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp35_AST_in = _t;
1153		match(_t,ENDBLOCK);
1154		_t = _t->getNextSibling();
1155	<	_t = __t69;
1155	>	_t = __t83;
1156		_t = _t->getNextSibling();
1157	<	#line 240 "MDTreeParser.g"
1157	>	#line 268 "MDTreeParser.g"
1158
1159		blockStack.top()->validate();
1160		blockStack.pop();
1161		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
1162		currMoleculeStamp->addFragmentStamp(currFragmentStamp);
1163
1164	<	#line 930 "MDTreeParser.cpp"
1164	>	#line 1165 "MDTreeParser.cpp"
1165		}
1166		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1167		reportError(ex);
#	Line 936 | Line 1171 | void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(a
1171		_retTree = _t;
1172		}
1173
1174	+	void MDTreeParser::constraintblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1175	+	ANTLR_USE_NAMESPACE(antlr)RefAST constraintblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1176	+
1177	+	try {      // for error handling
1178	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t88 = _t;
1179	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp36_AST_in = _t;
1180	+	match(_t,CONSTRAINT);
1181	+	_t = _t->getFirstChild();
1182	+	#line 279 "MDTreeParser.g"
1183	+	ConstraintStamp* currConstraintStamp = new ConstraintStamp(); blockStack.push(currConstraintStamp);
1184	+	#line 1185 "MDTreeParser.cpp"
1185	+	{ // ( ... )*
1186	+	for (;;) {
1187	+	if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
1188	+	_t = ASTNULL;
1189	+	if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) {
1190	+	constraintstatement(_t);
1191	+	_t = _retTree;
1192	+	}
1193	+	else {
1194	+	goto _loop90;
1195	+	}
1196	+
1197	+	}
1198	+	_loop90:;
1199	+	} // ( ... )*
1200	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp37_AST_in = _t;
1201	+	match(_t,ENDBLOCK);
1202	+	_t = _t->getNextSibling();
1203	+	_t = __t88;
1204	+	_t = _t->getNextSibling();
1205	+	#line 281 "MDTreeParser.g"
1206	+
1207	+	blockStack.pop();
1208	+	MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
1209	+	currMoleculeStamp->addConstraintStamp(currConstraintStamp);
1210	+
1211	+	#line 1212 "MDTreeParser.cpp"
1212	+	}
1213	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1214	+	reportError(ex);
1215	+	if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST )
1216	+	_t = _t->getNextSibling();
1217	+	}
1218	+	_retTree = _t;
1219	+	}
1220	+
1221		void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1222		ANTLR_USE_NAMESPACE(antlr)RefAST atomstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1223	<	#line 108 "MDTreeParser.g"
1223	>	#line 134 "MDTreeParser.g"
1224
1225		vector<RealType> dvec;
1226		AtomStamp* currAtomStamp =  static_cast<AtomStamp*>(blockStack.top());
1227
1228
1229	<	#line 948 "MDTreeParser.cpp"
1229	>	#line 1230 "MDTreeParser.cpp"
1230
1231		try {      // for error handling
1232		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 958 | Line 1240 | void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(a
1240		}
1241		case POSITION:
1242		{
1243	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t30 = _t;
1244	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST_in = _t;
1243	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t43 = _t;
1244	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST_in = _t;
1245		match(_t,POSITION);
1246		_t = _t->getFirstChild();
1247		dvec=doubleNumberTuple(_t);
1248		_t = _retTree;
1249	<	_t = __t30;
1249	>	_t = __t43;
1250		_t = _t->getNextSibling();
1251	<	#line 115 "MDTreeParser.g"
1251	>	#line 141 "MDTreeParser.g"
1252		currAtomStamp->setPosition(dvec);
1253	<	#line 972 "MDTreeParser.cpp"
1253	>	#line 1254 "MDTreeParser.cpp"
1254		break;
1255		}
1256		case ORIENTATION:
1257		{
1258	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t31 = _t;
1259	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST_in = _t;
1258	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t44 = _t;
1259	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST_in = _t;
1260		match(_t,ORIENTATION);
1261		_t = _t->getFirstChild();
1262		dvec=doubleNumberTuple(_t);
1263		_t = _retTree;
1264	<	_t = __t31;
1264	>	_t = __t44;
1265		_t = _t->getNextSibling();
1266	<	#line 116 "MDTreeParser.g"
1266	>	#line 142 "MDTreeParser.g"
1267		currAtomStamp->setOrientation(dvec);
1268	<	#line 987 "MDTreeParser.cpp"
1268	>	#line 1269 "MDTreeParser.cpp"
1269		break;
1270		}
1271		default:
#	Line 1001 | Line 1283 | vector<RealType>  MDTreeParser::doubleNumberTuple(ANTL
1283		}
1284
1285		vector<RealType>  MDTreeParser::doubleNumberTuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1286	<	#line 253 "MDTreeParser.g"
1286	>	#line 298 "MDTreeParser.g"
1287		vector<RealType> dvec;
1288	<	#line 1007 "MDTreeParser.cpp"
1288	>	#line 1289 "MDTreeParser.cpp"
1289		ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumberTuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1290	<	#line 253 "MDTreeParser.g"
1290	>	#line 298 "MDTreeParser.g"
1291
1292		RealType dval;
1293
1294	<	#line 1013 "MDTreeParser.cpp"
1294	>	#line 1295 "MDTreeParser.cpp"
1295
1296		try {      // for error handling
1297		{ // ( ... )+
1298	<	int _cnt75=0;
1298	>	int _cnt95=0;
1299		for (;;) {
1300		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
1301		_t = ASTNULL;
1302		if (((_t->getType() >= NUM_INT && _t->getType() <= NUM_DOUBLE))) {
1303		dval=doubleNumber(_t);
1304		_t = _retTree;
1305	<	#line 257 "MDTreeParser.g"
1305	>	#line 302 "MDTreeParser.g"
1306		dvec.push_back(dval);
1307	<	#line 1026 "MDTreeParser.cpp"
1307	>	#line 1308 "MDTreeParser.cpp"
1308		}
1309		else {
1310	<	if ( _cnt75>=1 ) { goto _loop75; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);}
1310	>	if ( _cnt95>=1 ) { goto _loop95; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);}
1311		}
1312
1313	<	_cnt75++;
1313	>	_cnt95++;
1314		}
1315	<	_loop75:;
1315	>	_loop95:;
1316		}  // ( ... )+
1317		}
1318		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 1044 | Line 1326 | void MDTreeParser::bondstatement(ANTLR_USE_NAMESPACE(a
1326
1327		void MDTreeParser::bondstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1328		ANTLR_USE_NAMESPACE(antlr)RefAST bondstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1329	<	#line 129 "MDTreeParser.g"
1329	>	#line 155 "MDTreeParser.g"
1330
1331		vector<int> ivec;
1332		BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top());
1333
1334	<	#line 1053 "MDTreeParser.cpp"
1334	>	#line 1335 "MDTreeParser.cpp"
1335
1336		try {      // for error handling
1337		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1063 | Line 1345 | void MDTreeParser::bondstatement(ANTLR_USE_NAMESPACE(a
1345		}
1346		case MEMBERS:
1347		{
1348	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t37 = _t;
1349	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST_in = _t;
1348	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t50 = _t;
1349	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST_in = _t;
1350		match(_t,MEMBERS);
1351		_t = _t->getFirstChild();
1352		ivec=inttuple(_t);
1353		_t = _retTree;
1354	<	_t = __t37;
1354	>	_t = __t50;
1355		_t = _t->getNextSibling();
1356	<	#line 135 "MDTreeParser.g"
1356	>	#line 161 "MDTreeParser.g"
1357		currBondStamp->setMembers(ivec);
1358	<	#line 1077 "MDTreeParser.cpp"
1358	>	#line 1359 "MDTreeParser.cpp"
1359		break;
1360		}
1361		default:
#	Line 1091 | Line 1373 | vector<int>  MDTreeParser::inttuple(ANTLR_USE_NAMESPAC
1373		}
1374
1375		vector<int>  MDTreeParser::inttuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1376	<	#line 260 "MDTreeParser.g"
1376	>	#line 306 "MDTreeParser.g"
1377		vector<int> ivec;
1378	<	#line 1097 "MDTreeParser.cpp"
1378	>	#line 1379 "MDTreeParser.cpp"
1379		ANTLR_USE_NAMESPACE(antlr)RefAST inttuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1380	<	#line 260 "MDTreeParser.g"
1380	>	#line 306 "MDTreeParser.g"
1381
1382		int ival;
1383
1384	<	#line 1103 "MDTreeParser.cpp"
1384	>	#line 1385 "MDTreeParser.cpp"
1385
1386		try {      // for error handling
1387		{ // ( ... )+
1388	<	int _cnt78=0;
1388	>	int _cnt98=0;
1389		for (;;) {
1390		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
1391		_t = ASTNULL;
1392		if ((_t->getType() == NUM_INT || _t->getType() == NUM_LONG)) {
1393		ival=intConst(_t);
1394		_t = _retTree;
1395	<	#line 264 "MDTreeParser.g"
1395	>	#line 310 "MDTreeParser.g"
1396		ivec.push_back(ival);
1397	<	#line 1116 "MDTreeParser.cpp"
1397	>	#line 1398 "MDTreeParser.cpp"
1398		}
1399		else {
1400	<	if ( _cnt78>=1 ) { goto _loop78; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);}
1400	>	if ( _cnt98>=1 ) { goto _loop98; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);}
1401		}
1402
1403	<	_cnt78++;
1403	>	_cnt98++;
1404		}
1405	<	_loop78:;
1405	>	_loop98:;
1406		}  // ( ... )+
1407		}
1408		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 1134 | Line 1416 | void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(a
1416
1417		void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1418		ANTLR_USE_NAMESPACE(antlr)RefAST bendstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1419	<	#line 148 "MDTreeParser.g"
1419	>	#line 174 "MDTreeParser.g"
1420
1421		vector<int> ivec;
1422		BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top());
1423
1424	<	#line 1143 "MDTreeParser.cpp"
1424	>	#line 1425 "MDTreeParser.cpp"
1425
1426		try {      // for error handling
1427		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1153 | Line 1435 | void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(a
1435		}
1436		case MEMBERS:
1437		{
1438	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t43 = _t;
1439	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST_in = _t;
1438	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t56 = _t;
1439	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp41_AST_in = _t;
1440		match(_t,MEMBERS);
1441		_t = _t->getFirstChild();
1442		ivec=inttuple(_t);
1443		_t = _retTree;
1444	<	_t = __t43;
1444	>	_t = __t56;
1445		_t = _t->getNextSibling();
1446	<	#line 154 "MDTreeParser.g"
1446	>	#line 180 "MDTreeParser.g"
1447		currBendStamp->setMembers(ivec);
1448	<	#line 1167 "MDTreeParser.cpp"
1448	>	#line 1449 "MDTreeParser.cpp"
1449		break;
1450		}
1451		default:
#	Line 1182 | Line 1464 | void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPAC
1464
1465		void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1466		ANTLR_USE_NAMESPACE(antlr)RefAST torsionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1467	<	#line 167 "MDTreeParser.g"
1467	>	#line 193 "MDTreeParser.g"
1468
1469		vector<int> ivec;
1470		TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top());
1471
1472	<	#line 1191 "MDTreeParser.cpp"
1472	>	#line 1473 "MDTreeParser.cpp"
1473
1474		try {      // for error handling
1475		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1201 | Line 1483 | void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPAC
1483		}
1484		case MEMBERS:
1485		{
1486	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t49 = _t;
1487	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST_in = _t;
1486	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t62 = _t;
1487	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST_in = _t;
1488		match(_t,MEMBERS);
1489		_t = _t->getFirstChild();
1490		ivec=inttuple(_t);
1491		_t = _retTree;
1492	<	_t = __t49;
1492	>	_t = __t62;
1493		_t = _t->getNextSibling();
1494	<	#line 173 "MDTreeParser.g"
1494	>	#line 199 "MDTreeParser.g"
1495		currTorsionStamp->setMembers(ivec);
1496	<	#line 1215 "MDTreeParser.cpp"
1496	>	#line 1497 "MDTreeParser.cpp"
1497		break;
1498		}
1499		default:
#	Line 1230 | Line 1512 | void MDTreeParser::inversionstatement(ANTLR_USE_NAMESP
1512
1513		void MDTreeParser::inversionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1514		ANTLR_USE_NAMESPACE(antlr)RefAST inversionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1515	<	#line 186 "MDTreeParser.g"
1515	>	#line 212 "MDTreeParser.g"
1516
1517		int icent;
1518	+	vector<int> ivec;
1519		InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top());
1520
1521	<	#line 1239 "MDTreeParser.cpp"
1521	>	#line 1522 "MDTreeParser.cpp"
1522
1523		try {      // for error handling
1524		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1249 | Line 1532 | void MDTreeParser::inversionstatement(ANTLR_USE_NAMESP
1532		}
1533		case CENTER:
1534		{
1535	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t55 = _t;
1536	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST_in = _t;
1535	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t68 = _t;
1536	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST_in = _t;
1537		match(_t,CENTER);
1538		_t = _t->getFirstChild();
1539		icent=intConst(_t);
1540		_t = _retTree;
1541	<	_t = __t55;
1541	>	_t = __t68;
1542		_t = _t->getNextSibling();
1543	<	#line 192 "MDTreeParser.g"
1543	>	#line 219 "MDTreeParser.g"
1544		currInversionStamp->setCenter(icent);
1545	<	#line 1263 "MDTreeParser.cpp"
1545	>	#line 1546 "MDTreeParser.cpp"
1546		break;
1547		}
1548	+	case SATELLITES:
1549	+	{
1550	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t69 = _t;
1551	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST_in = _t;
1552	+	match(_t,SATELLITES);
1553	+	_t = _t->getFirstChild();
1554	+	ivec=inttuple(_t);
1555	+	_t = _retTree;
1556	+	_t = __t69;
1557	+	_t = _t->getNextSibling();
1558	+	#line 220 "MDTreeParser.g"
1559	+	currInversionStamp->setSatellites(ivec);
1560	+	#line 1561 "MDTreeParser.cpp"
1561	+	break;
1562	+	}
1563		default:
1564		{
1565		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);
#	Line 1278 | Line 1576 | void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESP
1576
1577		void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1578		ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodystatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1579	<	#line 209 "MDTreeParser.g"
1579	>	#line 237 "MDTreeParser.g"
1580
1581		vector<int> ivec;
1582		RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top());
1583
1584	<	#line 1287 "MDTreeParser.cpp"
1584	>	#line 1585 "MDTreeParser.cpp"
1585
1586		try {      // for error handling
1587		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1297 | Line 1595 | void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESP
1595		}
1596		case MEMBERS:
1597		{
1598	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t61 = _t;
1599	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST_in = _t;
1598	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t75 = _t;
1599	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp45_AST_in = _t;
1600		match(_t,MEMBERS);
1601		_t = _t->getFirstChild();
1602		ivec=inttuple(_t);
1603		_t = _retTree;
1604	<	_t = __t61;
1604	>	_t = __t75;
1605		_t = _t->getNextSibling();
1606	<	#line 215 "MDTreeParser.g"
1606	>	#line 243 "MDTreeParser.g"
1607		currRigidBodyStamp->setMembers(ivec);
1608	<	#line 1311 "MDTreeParser.cpp"
1608	>	#line 1609 "MDTreeParser.cpp"
1609		break;
1610		}
1611		default:
#	Line 1326 | Line 1624 | void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAME
1624
1625		void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1626		ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1627	<	#line 228 "MDTreeParser.g"
1627	>	#line 256 "MDTreeParser.g"
1628
1629		vector<int> ivec;
1630		CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top());
1631
1632	<	#line 1335 "MDTreeParser.cpp"
1632	>	#line 1633 "MDTreeParser.cpp"
1633
1634		try {      // for error handling
1635		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1345 | Line 1643 | void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAME
1643		}
1644		case MEMBERS:
1645		{
1646	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t67 = _t;
1647	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST_in = _t;
1646	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t81 = _t;
1647	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp46_AST_in = _t;
1648		match(_t,MEMBERS);
1649		_t = _t->getFirstChild();
1650		ivec=inttuple(_t);
1651		_t = _retTree;
1652	<	_t = __t67;
1652	>	_t = __t81;
1653		_t = _t->getNextSibling();
1654	<	#line 234 "MDTreeParser.g"
1654	>	#line 262 "MDTreeParser.g"
1655		currCutoffGroupStamp->setMembers(ivec);
1656	<	#line 1359 "MDTreeParser.cpp"
1656	>	#line 1657 "MDTreeParser.cpp"
1657		break;
1658		}
1659		default:
#	Line 1387 | Line 1685 | void MDTreeParser::fragmentstatement(ANTLR_USE_NAMESPA
1685		_retTree = _t;
1686		}
1687
1688	<	RealType  MDTreeParser::doubleNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1689	<	#line 274 "MDTreeParser.g"
1690	<	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;
1688	>	void MDTreeParser::constraintstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1689	>	ANTLR_USE_NAMESPACE(antlr)RefAST constraintstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1690	>	#line 288 "MDTreeParser.g"
1691
1692	+	vector<int> ivec;
1693	+	ConstraintStamp* currConstraintStamp = static_cast<ConstraintStamp*>(blockStack.top());
1694	+
1695	+	#line 1696 "MDTreeParser.cpp"
1696	+
1697		try {      // for error handling
1698		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
1699		_t = ASTNULL;
1700		switch ( _t->getType()) {
1701	<	case NUM_INT:
1403	<	case NUM_LONG:
1701	>	case ASSIGNEQUAL:
1702		{
1703	<	ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1406	<	intConst(_t);
1703	>	assignment(_t);
1704		_t = _retTree;
1408	–	#line 276 "MDTreeParser.g"
1409	–	dval = lexi_cast<RealType>(ic->getText());
1410	–	#line 1411 "MDTreeParser.cpp"
1705		break;
1706		}
1707	<	case NUM_FLOAT:
1414	<	case NUM_DOUBLE:
1707	>	case MEMBERS:
1708		{
1709	<	fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1710	<	floatConst(_t);
1709	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t92 = _t;
1710	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp47_AST_in = _t;
1711	>	match(_t,MEMBERS);
1712	>	_t = _t->getFirstChild();
1713	>	ivec=inttuple(_t);
1714		_t = _retTree;
1715	<	#line 277 "MDTreeParser.g"
1716	<	dval = lexi_cast<RealType>(fc->getText());
1717	<	#line 1422 "MDTreeParser.cpp"
1715	>	_t = __t92;
1716	>	_t = _t->getNextSibling();
1717	>	#line 294 "MDTreeParser.g"
1718	>	currConstraintStamp->setMembers(ivec);
1719	>	#line 1720 "MDTreeParser.cpp"
1720		break;
1721		}
1722		default:
#	Line 1433 | Line 1731 | RealType  MDTreeParser::doubleNumber(ANTLR_USE_NAMESPA
1731		_t = _t->getNextSibling();
1732		}
1733		_retTree = _t;
1436	–	return dval;
1734		}
1735
1736		void MDTreeParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& )
#	Line 1455 | Line 1752 | const char* MDTreeParser::tokenNames[] = {
1752		"\"inversion\"",
1753		"\"rigidBody\"",
1754		"\"cutoffGroup\"",
1755	+	"\"constraint\"",
1756	+	"\"distance\"",
1757		"\"fragment\"",
1758		"\"members\"",
1759		"\"center\"",
1760	+	"\"satellites\"",
1761		"\"position\"",
1762		"\"orientation\"",
1763	+	"\"flucQ\"",
1764	+	"\"RNEMD\"",
1765	+	"\"minimizer\"",
1766		"ENDBLOCK",
1767		"ID",
1768		"ASSIGNEQUAL",
#	Line 1497 | Line 1800 | const char* MDTreeParser::tokenNames[] = {
1800		0
1801		};
1802
1803	<	const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 4194544UL, 0UL, 0UL, 0UL };
1804	<	// "component" "molecule" "zconstraint" "restraint" ASSIGNEQUAL
1803	>	const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 327155952UL, 0UL, 0UL, 0UL };
1804	>	// "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer"
1805	>	// ASSIGNEQUAL
1806		const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_0(_tokenSet_0_data_,4);
1807	<	const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 4259584UL, 0UL, 0UL, 0UL };
1807	>	const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 268631808UL, 0UL, 0UL, 0UL };
1808		// "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup"
1809	<	// "fragment" ASSIGNEQUAL
1809	>	// "constraint" "fragment" ASSIGNEQUAL
1810		const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_1(_tokenSet_1_data_,4);
1811
1812

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