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

Comparing trunk/src/mdParser/MDParser.cpp (file contents):
Revision 814 by tim, Fri Dec 16 02:57:00 2005 UTC vs.
Revision 2046 by gezelter, Tue Dec 2 22:11:04 2014 UTC

#	Line 1 | Line 1
1	<	/* $ANTLR 2.7.5 (20050406): "MDParser.g" -> "MDParser.cpp"$ */
1	>	/* $ANTLR 2.7.7 (20141024): "MDParser.g" -> "MDParser.cpp"$ */
2		#include "MDParser.hpp"
3		#include <antlr/NoViableAltException.hpp>
4		#include <antlr/SemanticException.hpp>
#	Line 93 | Line 93 | void MDParser::statement() {
93		statement_AST = currentAST.root;
94		break;
95		}
96	+	case RESTRAINT:
97	+	{
98	+	restraintblock();
99	+	astFactory->addASTChild( currentAST, returnAST );
100	+	statement_AST = currentAST.root;
101	+	break;
102	+	}
103	+	case FLUCQ:
104	+	{
105	+	flucqblock();
106	+	astFactory->addASTChild( currentAST, returnAST );
107	+	statement_AST = currentAST.root;
108	+	break;
109	+	}
110	+	case RNEMD:
111	+	{
112	+	rnemdblock();
113	+	astFactory->addASTChild( currentAST, returnAST );
114	+	statement_AST = currentAST.root;
115	+	break;
116	+	}
117	+	case MINIMIZER:
118	+	{
119	+	minimizerblock();
120	+	astFactory->addASTChild( currentAST, returnAST );
121	+	statement_AST = currentAST.root;
122	+	break;
123	+	}
124		default:
125		{
126		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
#	Line 160 | Line 188 | void MDParser::componentblock() {
188		tmp6_AST = astFactory->create(LT(1));
189		astFactory->addASTChild(currentAST, tmp6_AST);
190		match(RCURLY);
191	<	#line 63 "MDParser.g"
191	>	#line 95 "MDParser.g"
192		tmp6_AST->setType(ENDBLOCK);
193	<	#line 166 "MDParser.cpp"
193	>	#line 194 "MDParser.cpp"
194		componentblock_AST = currentAST.root;
195		}
196		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 190 | Line 218 | void MDParser::moleculeblock() {
218		astFactory->addASTChild( currentAST, returnAST );
219		}
220		else {
221	<	goto _loop15;
221	>	goto _loop27;
222		}
223
224		}
225	<	_loop15:;
225	>	_loop27:;
226		} // ( ... )*
227		ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
228		tmp9_AST = astFactory->create(LT(1));
229		astFactory->addASTChild(currentAST, tmp9_AST);
230		match(RCURLY);
231	<	#line 69 "MDParser.g"
231	>	#line 113 "MDParser.g"
232		tmp9_AST->setType(ENDBLOCK);
233	<	#line 206 "MDParser.cpp"
233	>	#line 234 "MDParser.cpp"
234		moleculeblock_AST = currentAST.root;
235		}
236		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 240 | Line 268 | void MDParser::zconstraintblock() {
268		tmp12_AST = astFactory->create(LT(1));
269		astFactory->addASTChild(currentAST, tmp12_AST);
270		match(RCURLY);
271	<	#line 66 "MDParser.g"
271	>	#line 98 "MDParser.g"
272		tmp12_AST->setType(ENDBLOCK);
273	<	#line 246 "MDParser.cpp"
273	>	#line 274 "MDParser.cpp"
274		zconstraintblock_AST = currentAST.root;
275		}
276		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 250 | Line 278 | void MDParser::zconstraintblock() {
278		recover(ex,_tokenSet_2);
279		}
280		returnAST = zconstraintblock_AST;
281	+	}
282	+
283	+	void MDParser::restraintblock() {
284	+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
285	+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
286	+	ANTLR_USE_NAMESPACE(antlr)RefAST restraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
287	+
288	+	try {      // for error handling
289	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
290	+	tmp13_AST = astFactory->create(LT(1));
291	+	astFactory->makeASTRoot(currentAST, tmp13_AST);
292	+	match(RESTRAINT);
293	+	match(LCURLY);
294	+	{ // ( ... )*
295	+	for (;;) {
296	+	if ((LA(1) == ID)) {
297	+	assignment();
298	+	astFactory->addASTChild( currentAST, returnAST );
299	+	}
300	+	else {
301	+	goto _loop15;
302	+	}
303	+
304	+	}
305	+	_loop15:;
306	+	} // ( ... )*
307	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
308	+	tmp15_AST = astFactory->create(LT(1));
309	+	astFactory->addASTChild(currentAST, tmp15_AST);
310	+	match(RCURLY);
311	+	#line 101 "MDParser.g"
312	+	tmp15_AST->setType(ENDBLOCK);
313	+	#line 314 "MDParser.cpp"
314	+	restraintblock_AST = currentAST.root;
315	+	}
316	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
317	+	reportError(ex);
318	+	recover(ex,_tokenSet_2);
319	+	}
320	+	returnAST = restraintblock_AST;
321	+	}
322	+
323	+	void MDParser::flucqblock() {
324	+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
325	+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
326	+	ANTLR_USE_NAMESPACE(antlr)RefAST flucqblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
327	+
328	+	try {      // for error handling
329	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
330	+	tmp16_AST = astFactory->create(LT(1));
331	+	astFactory->makeASTRoot(currentAST, tmp16_AST);
332	+	match(FLUCQ);
333	+	match(LCURLY);
334	+	{ // ( ... )*
335	+	for (;;) {
336	+	if ((LA(1) == ID)) {
337	+	assignment();
338	+	astFactory->addASTChild( currentAST, returnAST );
339	+	}
340	+	else {
341	+	goto _loop18;
342	+	}
343	+
344	+	}
345	+	_loop18:;
346	+	} // ( ... )*
347	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
348	+	tmp18_AST = astFactory->create(LT(1));
349	+	astFactory->addASTChild(currentAST, tmp18_AST);
350	+	match(RCURLY);
351	+	#line 104 "MDParser.g"
352	+	tmp18_AST->setType(ENDBLOCK);
353	+	#line 354 "MDParser.cpp"
354	+	flucqblock_AST = currentAST.root;
355	+	}
356	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
357	+	reportError(ex);
358	+	recover(ex,_tokenSet_2);
359	+	}
360	+	returnAST = flucqblock_AST;
361	+	}
362	+
363	+	void MDParser::rnemdblock() {
364	+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
365	+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
366	+	ANTLR_USE_NAMESPACE(antlr)RefAST rnemdblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
367	+
368	+	try {      // for error handling
369	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
370	+	tmp19_AST = astFactory->create(LT(1));
371	+	astFactory->makeASTRoot(currentAST, tmp19_AST);
372	+	match(RNEMD);
373	+	match(LCURLY);
374	+	{ // ( ... )*
375	+	for (;;) {
376	+	if ((LA(1) == ID)) {
377	+	assignment();
378	+	astFactory->addASTChild( currentAST, returnAST );
379	+	}
380	+	else {
381	+	goto _loop21;
382	+	}
383	+
384	+	}
385	+	_loop21:;
386	+	} // ( ... )*
387	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
388	+	tmp21_AST = astFactory->create(LT(1));
389	+	astFactory->addASTChild(currentAST, tmp21_AST);
390	+	match(RCURLY);
391	+	#line 107 "MDParser.g"
392	+	tmp21_AST->setType(ENDBLOCK);
393	+	#line 394 "MDParser.cpp"
394	+	rnemdblock_AST = currentAST.root;
395	+	}
396	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
397	+	reportError(ex);
398	+	recover(ex,_tokenSet_2);
399	+	}
400	+	returnAST = rnemdblock_AST;
401	+	}
402	+
403	+	void MDParser::minimizerblock() {
404	+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
405	+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
406	+	ANTLR_USE_NAMESPACE(antlr)RefAST minimizerblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
407	+
408	+	try {      // for error handling
409	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
410	+	tmp22_AST = astFactory->create(LT(1));
411	+	astFactory->makeASTRoot(currentAST, tmp22_AST);
412	+	match(MINIMIZER);
413	+	match(LCURLY);
414	+	{ // ( ... )*
415	+	for (;;) {
416	+	if ((LA(1) == ID)) {
417	+	assignment();
418	+	astFactory->addASTChild( currentAST, returnAST );
419	+	}
420	+	else {
421	+	goto _loop24;
422	+	}
423	+
424	+	}
425	+	_loop24:;
426	+	} // ( ... )*
427	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
428	+	tmp24_AST = astFactory->create(LT(1));
429	+	astFactory->addASTChild(currentAST, tmp24_AST);
430	+	match(RCURLY);
431	+	#line 110 "MDParser.g"
432	+	tmp24_AST->setType(ENDBLOCK);
433	+	#line 434 "MDParser.cpp"
434	+	minimizerblock_AST = currentAST.root;
435	+	}
436	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
437	+	reportError(ex);
438	+	recover(ex,_tokenSet_2);
439	+	}
440	+	returnAST = minimizerblock_AST;
441		}
442
443		void MDParser::constant() {
#	Line 275 | Line 463 | void MDParser::constant() {
463		constant_AST = currentAST.root;
464		break;
465		}
466	+	case LPAREN:
467	+	{
468	+	vectorConst();
469	+	astFactory->addASTChild( currentAST, returnAST );
470	+	constant_AST = currentAST.root;
471	+	break;
472	+	}
473		case ID:
474		{
475	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
476	<	tmp13_AST = astFactory->create(LT(1));
477	<	astFactory->addASTChild(currentAST, tmp13_AST);
475	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
476	>	tmp25_AST = astFactory->create(LT(1));
477	>	astFactory->addASTChild(currentAST, tmp25_AST);
478		match(ID);
479		constant_AST = currentAST.root;
480		break;
481		}
482		case StringLiteral:
483		{
484	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
485	<	tmp14_AST = astFactory->create(LT(1));
486	<	astFactory->addASTChild(currentAST, tmp14_AST);
484	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
485	>	tmp26_AST = astFactory->create(LT(1));
486	>	astFactory->addASTChild(currentAST, tmp26_AST);
487		match(StringLiteral);
488		constant_AST = currentAST.root;
489		break;
#	Line 315 | Line 510 | void MDParser::intConst() {
510		switch ( LA(1)) {
511		case NUM_INT:
512		{
513	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
514	<	tmp15_AST = astFactory->create(LT(1));
515	<	astFactory->addASTChild(currentAST, tmp15_AST);
513	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
514	>	tmp27_AST = astFactory->create(LT(1));
515	>	astFactory->addASTChild(currentAST, tmp27_AST);
516		match(NUM_INT);
517		intConst_AST = currentAST.root;
518		break;
519		}
520		case NUM_LONG:
521		{
522	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
523	<	tmp16_AST = astFactory->create(LT(1));
524	<	astFactory->addASTChild(currentAST, tmp16_AST);
522	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
523	>	tmp28_AST = astFactory->create(LT(1));
524	>	astFactory->addASTChild(currentAST, tmp28_AST);
525		match(NUM_LONG);
526		intConst_AST = currentAST.root;
527		break;
#	Line 353 | Line 548 | void MDParser::floatConst() {
548		switch ( LA(1)) {
549		case NUM_FLOAT:
550		{
551	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
552	<	tmp17_AST = astFactory->create(LT(1));
553	<	astFactory->addASTChild(currentAST, tmp17_AST);
551	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
552	>	tmp29_AST = astFactory->create(LT(1));
553	>	astFactory->addASTChild(currentAST, tmp29_AST);
554		match(NUM_FLOAT);
555		floatConst_AST = currentAST.root;
556		break;
557		}
558		case NUM_DOUBLE:
559		{
560	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
561	<	tmp18_AST = astFactory->create(LT(1));
562	<	astFactory->addASTChild(currentAST, tmp18_AST);
560	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
561	>	tmp30_AST = astFactory->create(LT(1));
562	>	astFactory->addASTChild(currentAST, tmp30_AST);
563		match(NUM_DOUBLE);
564		floatConst_AST = currentAST.root;
565		break;
#	Line 382 | Line 577 | void MDParser::floatConst() {
577		returnAST = floatConst_AST;
578		}
579
580	+	void MDParser::vectorConst() {
581	+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
582	+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
583	+	ANTLR_USE_NAMESPACE(antlr)RefAST vectorConst_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
584	+
585	+	try {      // for error handling
586	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
587	+	tmp31_AST = astFactory->create(LT(1));
588	+	astFactory->makeASTRoot(currentAST, tmp31_AST);
589	+	match(LPAREN);
590	+	doubleNumberTuple();
591	+	astFactory->addASTChild( currentAST, returnAST );
592	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
593	+	tmp32_AST = astFactory->create(LT(1));
594	+	astFactory->addASTChild(currentAST, tmp32_AST);
595	+	match(RPAREN);
596	+	vectorConst_AST = currentAST.root;
597	+	}
598	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
599	+	reportError(ex);
600	+	recover(ex,_tokenSet_5);
601	+	}
602	+	returnAST = vectorConst_AST;
603	+	}
604	+
605		void MDParser::moleculestatement() {
606		returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
607		ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
#	Line 424 | Line 644 | void MDParser::moleculestatement() {
644		moleculestatement_AST = currentAST.root;
645		break;
646		}
647	+	case INVERSION:
648	+	{
649	+	inversionblock();
650	+	astFactory->addASTChild( currentAST, returnAST );
651	+	moleculestatement_AST = currentAST.root;
652	+	break;
653	+	}
654		case RIGIDBODY:
655		{
656		rigidbodyblock();
#	Line 445 | Line 672 | void MDParser::moleculestatement() {
672		moleculestatement_AST = currentAST.root;
673		break;
674		}
675	+	case CONSTRAINT:
676	+	{
677	+	constraintblock();
678	+	astFactory->addASTChild( currentAST, returnAST );
679	+	moleculestatement_AST = currentAST.root;
680	+	break;
681	+	}
682		default:
683		{
684		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
#	Line 464 | Line 698 | void MDParser::atomblock() {
698		ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
699
700		try {      // for error handling
701	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
702	<	tmp19_AST = astFactory->create(LT(1));
703	<	astFactory->makeASTRoot(currentAST, tmp19_AST);
701	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
702	>	tmp33_AST = astFactory->create(LT(1));
703	>	astFactory->makeASTRoot(currentAST, tmp33_AST);
704		match(ATOM);
705		match(LBRACKET);
706		intConst();
#	Line 480 | Line 714 | void MDParser::atomblock() {
714		astFactory->addASTChild( currentAST, returnAST );
715		}
716		else {
717	<	goto _loop19;
717	>	goto _loop31;
718		}
719
720		}
721	<	_loop19:;
721	>	_loop31:;
722		} // ( ... )*
723	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
724	<	tmp23_AST = astFactory->create(LT(1));
725	<	astFactory->addASTChild(currentAST, tmp23_AST);
723	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp37_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
724	>	tmp37_AST = astFactory->create(LT(1));
725	>	astFactory->addASTChild(currentAST, tmp37_AST);
726		match(RCURLY);
727	<	#line 82 "MDParser.g"
728	<	tmp23_AST->setType(ENDBLOCK);
729	<	#line 496 "MDParser.cpp"
727	>	#line 128 "MDParser.g"
728	>	tmp37_AST->setType(ENDBLOCK);
729	>	#line 730 "MDParser.cpp"
730		atomblock_AST = currentAST.root;
731		}
732		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 508 | Line 742 | void MDParser::bondblock() {
742		ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
743
744		try {      // for error handling
745	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
746	<	tmp24_AST = astFactory->create(LT(1));
747	<	astFactory->makeASTRoot(currentAST, tmp24_AST);
745	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
746	>	tmp38_AST = astFactory->create(LT(1));
747	>	astFactory->makeASTRoot(currentAST, tmp38_AST);
748		match(BOND);
749		{
750		switch ( LA(1)) {
#	Line 534 | Line 768 | void MDParser::bondblock() {
768		match(LCURLY);
769		{ // ( ... )*
770		for (;;) {
771	<	if ((LA(1) == MEMBERS || LA(1) == ID)) {
771	>	if ((_tokenSet_10.member(LA(1)))) {
772		bondstatement();
773		astFactory->addASTChild( currentAST, returnAST );
774		}
775		else {
776	<	goto _loop24;
776	>	goto _loop36;
777		}
778
779		}
780	<	_loop24:;
780	>	_loop36:;
781		} // ( ... )*
782	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
783	<	tmp28_AST = astFactory->create(LT(1));
784	<	astFactory->addASTChild(currentAST, tmp28_AST);
782	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
783	>	tmp42_AST = astFactory->create(LT(1));
784	>	astFactory->addASTChild(currentAST, tmp42_AST);
785		match(RCURLY);
786	<	#line 91 "MDParser.g"
787	<	tmp28_AST->setType(ENDBLOCK);
788	<	#line 555 "MDParser.cpp"
786	>	#line 138 "MDParser.g"
787	>	tmp42_AST->setType(ENDBLOCK);
788	>	#line 789 "MDParser.cpp"
789		bondblock_AST = currentAST.root;
790		}
791		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 567 | Line 801 | void MDParser::bendblock() {
801		ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
802
803		try {      // for error handling
804	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
805	<	tmp29_AST = astFactory->create(LT(1));
806	<	astFactory->makeASTRoot(currentAST, tmp29_AST);
804	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
805	>	tmp43_AST = astFactory->create(LT(1));
806	>	astFactory->makeASTRoot(currentAST, tmp43_AST);
807		match(BEND);
808		{
809		switch ( LA(1)) {
#	Line 593 | Line 827 | void MDParser::bendblock() {
827		match(LCURLY);
828		{ // ( ... )*
829		for (;;) {
830	<	if ((LA(1) == MEMBERS || LA(1) == ID)) {
830	>	if ((_tokenSet_11.member(LA(1)))) {
831		bendstatement();
832		astFactory->addASTChild( currentAST, returnAST );
833		}
834		else {
835	<	goto _loop29;
835	>	goto _loop41;
836		}
837
838		}
839	<	_loop29:;
839	>	_loop41:;
840		} // ( ... )*
841	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
842	<	tmp33_AST = astFactory->create(LT(1));
843	<	astFactory->addASTChild(currentAST, tmp33_AST);
841	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp47_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
842	>	tmp47_AST = astFactory->create(LT(1));
843	>	astFactory->addASTChild(currentAST, tmp47_AST);
844		match(RCURLY);
845	<	#line 98 "MDParser.g"
846	<	tmp33_AST->setType(ENDBLOCK);
847	<	#line 614 "MDParser.cpp"
845	>	#line 151 "MDParser.g"
846	>	tmp47_AST->setType(ENDBLOCK);
847	>	#line 848 "MDParser.cpp"
848		bendblock_AST = currentAST.root;
849		}
850		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 626 | Line 860 | void MDParser::torsionblock() {
860		ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
861
862		try {      // for error handling
863	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
864	<	tmp34_AST = astFactory->create(LT(1));
865	<	astFactory->makeASTRoot(currentAST, tmp34_AST);
863	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
864	>	tmp48_AST = astFactory->create(LT(1));
865	>	astFactory->makeASTRoot(currentAST, tmp48_AST);
866		match(TORSION);
867		{
868		switch ( LA(1)) {
#	Line 652 | Line 886 | void MDParser::torsionblock() {
886		match(LCURLY);
887		{ // ( ... )*
888		for (;;) {
889	<	if ((LA(1) == MEMBERS || LA(1) == ID)) {
889	>	if ((_tokenSet_12.member(LA(1)))) {
890		torsionstatement();
891		astFactory->addASTChild( currentAST, returnAST );
892		}
893		else {
894	<	goto _loop34;
894	>	goto _loop46;
895		}
896
897		}
898	<	_loop34:;
898	>	_loop46:;
899		} // ( ... )*
900	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
901	<	tmp38_AST = astFactory->create(LT(1));
902	<	astFactory->addASTChild(currentAST, tmp38_AST);
900	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp52_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
901	>	tmp52_AST = astFactory->create(LT(1));
902	>	astFactory->addASTChild(currentAST, tmp52_AST);
903		match(RCURLY);
904	<	#line 105 "MDParser.g"
905	<	tmp38_AST->setType(ENDBLOCK);
906	<	#line 673 "MDParser.cpp"
904	>	#line 165 "MDParser.g"
905	>	tmp52_AST->setType(ENDBLOCK);
906	>	#line 907 "MDParser.cpp"
907		torsionblock_AST = currentAST.root;
908		}
909		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 679 | Line 913 | void MDParser::torsionblock() {
913		returnAST = torsionblock_AST;
914		}
915
916	+	void MDParser::inversionblock() {
917	+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
918	+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
919	+	ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
920	+
921	+	try {      // for error handling
922	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
923	+	tmp53_AST = astFactory->create(LT(1));
924	+	astFactory->makeASTRoot(currentAST, tmp53_AST);
925	+	match(INVERSION);
926	+	{
927	+	switch ( LA(1)) {
928	+	case LBRACKET:
929	+	{
930	+	match(LBRACKET);
931	+	intConst();
932	+	match(RBRACKET);
933	+	break;
934	+	}
935	+	case LCURLY:
936	+	{
937	+	break;
938	+	}
939	+	default:
940	+	{
941	+	throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
942	+	}
943	+	}
944	+	}
945	+	match(LCURLY);
946	+	{ // ( ... )*
947	+	for (;;) {
948	+	if ((_tokenSet_13.member(LA(1)))) {
949	+	inversionstatement();
950	+	astFactory->addASTChild( currentAST, returnAST );
951	+	}
952	+	else {
953	+	goto _loop51;
954	+	}
955	+
956	+	}
957	+	_loop51:;
958	+	} // ( ... )*
959	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp57_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
960	+	tmp57_AST = astFactory->create(LT(1));
961	+	astFactory->addASTChild(currentAST, tmp57_AST);
962	+	match(RCURLY);
963	+	#line 180 "MDParser.g"
964	+	tmp57_AST->setType(ENDBLOCK);
965	+	#line 966 "MDParser.cpp"
966	+	inversionblock_AST = currentAST.root;
967	+	}
968	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
969	+	reportError(ex);
970	+	recover(ex,_tokenSet_8);
971	+	}
972	+	returnAST = inversionblock_AST;
973	+	}
974	+
975		void MDParser::rigidbodyblock() {
976		returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
977		ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
978		ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
979
980		try {      // for error handling
981	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
982	<	tmp39_AST = astFactory->create(LT(1));
983	<	astFactory->makeASTRoot(currentAST, tmp39_AST);
981	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
982	>	tmp58_AST = astFactory->create(LT(1));
983	>	astFactory->makeASTRoot(currentAST, tmp58_AST);
984		match(RIGIDBODY);
985		match(LBRACKET);
986		intConst();
#	Line 701 | Line 994 | void MDParser::rigidbodyblock() {
994		astFactory->addASTChild( currentAST, returnAST );
995		}
996		else {
997	<	goto _loop38;
997	>	goto _loop55;
998		}
999
1000		}
1001	<	_loop38:;
1001	>	_loop55:;
1002		} // ( ... )*
1003	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1004	<	tmp43_AST = astFactory->create(LT(1));
1005	<	astFactory->addASTChild(currentAST, tmp43_AST);
1003	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp62_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1004	>	tmp62_AST = astFactory->create(LT(1));
1005	>	astFactory->addASTChild(currentAST, tmp62_AST);
1006		match(RCURLY);
1007	<	#line 112 "MDParser.g"
1008	<	tmp43_AST->setType(ENDBLOCK);
1009	<	#line 717 "MDParser.cpp"
1007	>	#line 193 "MDParser.g"
1008	>	tmp62_AST->setType(ENDBLOCK);
1009	>	#line 1010 "MDParser.cpp"
1010		rigidbodyblock_AST = currentAST.root;
1011		}
1012		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 729 | Line 1022 | void MDParser::cutoffgroupblock() {
1022		ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1023
1024		try {      // for error handling
1025	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1026	<	tmp44_AST = astFactory->create(LT(1));
1027	<	astFactory->makeASTRoot(currentAST, tmp44_AST);
1025	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1026	>	tmp63_AST = astFactory->create(LT(1));
1027	>	astFactory->makeASTRoot(currentAST, tmp63_AST);
1028		match(CUTOFFGROUP);
1029		{
1030		switch ( LA(1)) {
#	Line 760 | Line 1053 | void MDParser::cutoffgroupblock() {
1053		astFactory->addASTChild( currentAST, returnAST );
1054		}
1055		else {
1056	<	goto _loop43;
1056	>	goto _loop60;
1057		}
1058
1059		}
1060	<	_loop43:;
1060	>	_loop60:;
1061		} // ( ... )*
1062	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1063	<	tmp48_AST = astFactory->create(LT(1));
1064	<	astFactory->addASTChild(currentAST, tmp48_AST);
1062	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp67_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1063	>	tmp67_AST = astFactory->create(LT(1));
1064	>	astFactory->addASTChild(currentAST, tmp67_AST);
1065		match(RCURLY);
1066	<	#line 119 "MDParser.g"
1067	<	tmp48_AST->setType(ENDBLOCK);
1068	<	#line 776 "MDParser.cpp"
1066	>	#line 200 "MDParser.g"
1067	>	tmp67_AST->setType(ENDBLOCK);
1068	>	#line 1069 "MDParser.cpp"
1069		cutoffgroupblock_AST = currentAST.root;
1070		}
1071		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 788 | Line 1081 | void MDParser::fragmentblock() {
1081		ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1082
1083		try {      // for error handling
1084	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1085	<	tmp49_AST = astFactory->create(LT(1));
1086	<	astFactory->makeASTRoot(currentAST, tmp49_AST);
1084	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1085	>	tmp68_AST = astFactory->create(LT(1));
1086	>	astFactory->makeASTRoot(currentAST, tmp68_AST);
1087		match(FRAGMENT);
1088		match(LBRACKET);
1089		intConst();
#	Line 804 | Line 1097 | void MDParser::fragmentblock() {
1097		astFactory->addASTChild( currentAST, returnAST );
1098		}
1099		else {
1100	<	goto _loop47;
1100	>	goto _loop64;
1101		}
1102
1103		}
1104	<	_loop47:;
1104	>	_loop64:;
1105		} // ( ... )*
1106	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1107	<	tmp53_AST = astFactory->create(LT(1));
1108	<	astFactory->addASTChild(currentAST, tmp53_AST);
1106	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1107	>	tmp72_AST = astFactory->create(LT(1));
1108	>	astFactory->addASTChild(currentAST, tmp72_AST);
1109		match(RCURLY);
1110	<	#line 126 "MDParser.g"
1111	<	tmp53_AST->setType(ENDBLOCK);
1112	<	#line 820 "MDParser.cpp"
1110	>	#line 207 "MDParser.g"
1111	>	tmp72_AST->setType(ENDBLOCK);
1112	>	#line 1113 "MDParser.cpp"
1113		fragmentblock_AST = currentAST.root;
1114		}
1115		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 826 | Line 1119 | void MDParser::fragmentblock() {
1119		returnAST = fragmentblock_AST;
1120		}
1121
1122	+	void MDParser::constraintblock() {
1123	+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1124	+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
1125	+	ANTLR_USE_NAMESPACE(antlr)RefAST constraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1126	+
1127	+	try {      // for error handling
1128	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp73_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1129	+	tmp73_AST = astFactory->create(LT(1));
1130	+	astFactory->makeASTRoot(currentAST, tmp73_AST);
1131	+	match(CONSTRAINT);
1132	+	{
1133	+	switch ( LA(1)) {
1134	+	case LBRACKET:
1135	+	{
1136	+	match(LBRACKET);
1137	+	intConst();
1138	+	match(RBRACKET);
1139	+	break;
1140	+	}
1141	+	case LCURLY:
1142	+	{
1143	+	break;
1144	+	}
1145	+	default:
1146	+	{
1147	+	throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
1148	+	}
1149	+	}
1150	+	}
1151	+	match(LCURLY);
1152	+	{ // ( ... )*
1153	+	for (;;) {
1154	+	if ((LA(1) == MEMBERS || LA(1) == ID)) {
1155	+	constraintstatement();
1156	+	astFactory->addASTChild( currentAST, returnAST );
1157	+	}
1158	+	else {
1159	+	goto _loop69;
1160	+	}
1161	+
1162	+	}
1163	+	_loop69:;
1164	+	} // ( ... )*
1165	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp77_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1166	+	tmp77_AST = astFactory->create(LT(1));
1167	+	astFactory->addASTChild(currentAST, tmp77_AST);
1168	+	match(RCURLY);
1169	+	#line 213 "MDParser.g"
1170	+	tmp77_AST->setType(ENDBLOCK);
1171	+	#line 1172 "MDParser.cpp"
1172	+	constraintblock_AST = currentAST.root;
1173	+	}
1174	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1175	+	reportError(ex);
1176	+	recover(ex,_tokenSet_8);
1177	+	}
1178	+	returnAST = constraintblock_AST;
1179	+	}
1180	+
1181		void MDParser::atomstatement() {
1182		returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1183		ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
#	Line 842 | Line 1194 | void MDParser::atomstatement() {
1194		}
1195		case POSITION:
1196		{
1197	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1198	<	tmp54_AST = astFactory->create(LT(1));
1199	<	astFactory->makeASTRoot(currentAST, tmp54_AST);
1197	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp78_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1198	>	tmp78_AST = astFactory->create(LT(1));
1199	>	astFactory->makeASTRoot(currentAST, tmp78_AST);
1200		match(POSITION);
1201		match(LPAREN);
1202		doubleNumberTuple();
#	Line 856 | Line 1208 | void MDParser::atomstatement() {
1208		}
1209		case ORIENTATION:
1210		{
1211	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1212	<	tmp58_AST = astFactory->create(LT(1));
1213	<	astFactory->makeASTRoot(currentAST, tmp58_AST);
1211	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp82_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1212	>	tmp82_AST = astFactory->create(LT(1));
1213	>	astFactory->makeASTRoot(currentAST, tmp82_AST);
1214		match(ORIENTATION);
1215		match(LPAREN);
1216		doubleNumberTuple();
#	Line 868 | Line 1220 | void MDParser::atomstatement() {
1220		atomstatement_AST = currentAST.root;
1221		break;
1222		}
1223	+	case CHARGE:
1224	+	{
1225	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp86_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1226	+	tmp86_AST = astFactory->create(LT(1));
1227	+	astFactory->makeASTRoot(currentAST, tmp86_AST);
1228	+	match(CHARGE);
1229	+	match(LPAREN);
1230	+	floatConst();
1231	+	astFactory->addASTChild( currentAST, returnAST );
1232	+	match(RPAREN);
1233	+	match(SEMICOLON);
1234	+	atomstatement_AST = currentAST.root;
1235	+	break;
1236	+	}
1237		default:
1238		{
1239		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
#	Line 876 | Line 1242 | void MDParser::atomstatement() {
1242		}
1243		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1244		reportError(ex);
1245	<	recover(ex,_tokenSet_10);
1245	>	recover(ex,_tokenSet_14);
1246		}
1247		returnAST = atomstatement_AST;
1248		}
#	Line 897 | Line 1263 | void MDParser::doubleNumberTuple() {
1263		astFactory->addASTChild( currentAST, returnAST );
1264		}
1265		else {
1266	<	goto _loop51;
1266	>	goto _loop73;
1267		}
1268
1269		}
1270	<	_loop51:;
1270	>	_loop73:;
1271		} // ( ... )*
1272		doubleNumberTuple_AST = currentAST.root;
1273		}
1274		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1275		reportError(ex);
1276	<	recover(ex,_tokenSet_11);
1276	>	recover(ex,_tokenSet_15);
1277		}
1278		returnAST = doubleNumberTuple_AST;
1279		}
#	Line 928 | Line 1294 | void MDParser::bondstatement() {
1294		}
1295		case MEMBERS:
1296		{
1297	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1298	<	tmp63_AST = astFactory->create(LT(1));
1299	<	astFactory->makeASTRoot(currentAST, tmp63_AST);
1297	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp91_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1298	>	tmp91_AST = astFactory->create(LT(1));
1299	>	astFactory->makeASTRoot(currentAST, tmp91_AST);
1300		match(MEMBERS);
1301		match(LPAREN);
1302		inttuple();
#	Line 940 | Line 1306 | void MDParser::bondstatement() {
1306		bondstatement_AST = currentAST.root;
1307		break;
1308		}
1309	+	case FIXED:
1310	+	{
1311	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp95_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1312	+	tmp95_AST = astFactory->create(LT(1));
1313	+	astFactory->makeASTRoot(currentAST, tmp95_AST);
1314	+	match(FIXED);
1315	+	match(LPAREN);
1316	+	floatConst();
1317	+	astFactory->addASTChild( currentAST, returnAST );
1318	+	match(RPAREN);
1319	+	match(SEMICOLON);
1320	+	bondstatement_AST = currentAST.root;
1321	+	break;
1322	+	}
1323	+	case HARMONIC:
1324	+	{
1325	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp99_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1326	+	tmp99_AST = astFactory->create(LT(1));
1327	+	astFactory->makeASTRoot(currentAST, tmp99_AST);
1328	+	match(HARMONIC);
1329	+	match(LPAREN);
1330	+	doubleNumberTuple();
1331	+	astFactory->addASTChild( currentAST, returnAST );
1332	+	match(RPAREN);
1333	+	match(SEMICOLON);
1334	+	bondstatement_AST = currentAST.root;
1335	+	break;
1336	+	}
1337	+	case CUBIC:
1338	+	{
1339	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp103_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1340	+	tmp103_AST = astFactory->create(LT(1));
1341	+	astFactory->makeASTRoot(currentAST, tmp103_AST);
1342	+	match(CUBIC);
1343	+	match(LPAREN);
1344	+	doubleNumberTuple();
1345	+	astFactory->addASTChild( currentAST, returnAST );
1346	+	match(RPAREN);
1347	+	match(SEMICOLON);
1348	+	bondstatement_AST = currentAST.root;
1349	+	break;
1350	+	}
1351	+	case QUARTIC:
1352	+	{
1353	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp107_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1354	+	tmp107_AST = astFactory->create(LT(1));
1355	+	astFactory->makeASTRoot(currentAST, tmp107_AST);
1356	+	match(QUARTIC);
1357	+	match(LPAREN);
1358	+	doubleNumberTuple();
1359	+	astFactory->addASTChild( currentAST, returnAST );
1360	+	match(RPAREN);
1361	+	match(SEMICOLON);
1362	+	bondstatement_AST = currentAST.root;
1363	+	break;
1364	+	}
1365	+	case POLYNOMIAL:
1366	+	{
1367	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp111_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1368	+	tmp111_AST = astFactory->create(LT(1));
1369	+	astFactory->makeASTRoot(currentAST, tmp111_AST);
1370	+	match(POLYNOMIAL);
1371	+	match(LPAREN);
1372	+	doubleNumberTuple();
1373	+	astFactory->addASTChild( currentAST, returnAST );
1374	+	match(RPAREN);
1375	+	match(SEMICOLON);
1376	+	bondstatement_AST = currentAST.root;
1377	+	break;
1378	+	}
1379	+	case MORSE:
1380	+	{
1381	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp115_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1382	+	tmp115_AST = astFactory->create(LT(1));
1383	+	astFactory->makeASTRoot(currentAST, tmp115_AST);
1384	+	match(MORSE);
1385	+	match(LPAREN);
1386	+	doubleNumberTuple();
1387	+	astFactory->addASTChild( currentAST, returnAST );
1388	+	match(RPAREN);
1389	+	match(SEMICOLON);
1390	+	bondstatement_AST = currentAST.root;
1391	+	break;
1392	+	}
1393		default:
1394		{
1395		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
#	Line 948 | Line 1398 | void MDParser::bondstatement() {
1398		}
1399		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1400		reportError(ex);
1401	<	recover(ex,_tokenSet_12);
1401	>	recover(ex,_tokenSet_16);
1402		}
1403		returnAST = bondstatement_AST;
1404		}
#	Line 969 | Line 1419 | void MDParser::inttuple() {
1419		astFactory->addASTChild( currentAST, returnAST );
1420		}
1421		else {
1422	<	goto _loop54;
1422	>	goto _loop76;
1423		}
1424
1425		}
1426	<	_loop54:;
1426	>	_loop76:;
1427		} // ( ... )*
1428		inttuple_AST = currentAST.root;
1429		}
1430		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1431		reportError(ex);
1432	<	recover(ex,_tokenSet_11);
1432	>	recover(ex,_tokenSet_15);
1433		}
1434		returnAST = inttuple_AST;
1435		}
#	Line 1000 | Line 1450 | void MDParser::bendstatement() {
1450		}
1451		case MEMBERS:
1452		{
1453	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1454	<	tmp68_AST = astFactory->create(LT(1));
1455	<	astFactory->makeASTRoot(currentAST, tmp68_AST);
1453	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp120_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1454	>	tmp120_AST = astFactory->create(LT(1));
1455	>	astFactory->makeASTRoot(currentAST, tmp120_AST);
1456		match(MEMBERS);
1457		match(LPAREN);
1458		inttuple();
1459	+	astFactory->addASTChild( currentAST, returnAST );
1460	+	match(RPAREN);
1461	+	match(SEMICOLON);
1462	+	bendstatement_AST = currentAST.root;
1463	+	break;
1464	+	}
1465	+	case HARMONIC:
1466	+	{
1467	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp124_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1468	+	tmp124_AST = astFactory->create(LT(1));
1469	+	astFactory->makeASTRoot(currentAST, tmp124_AST);
1470	+	match(HARMONIC);
1471	+	match(LPAREN);
1472	+	doubleNumberTuple();
1473	+	astFactory->addASTChild( currentAST, returnAST );
1474	+	match(RPAREN);
1475	+	match(SEMICOLON);
1476	+	bendstatement_AST = currentAST.root;
1477	+	break;
1478	+	}
1479	+	case GHOSTBEND:
1480	+	{
1481	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp128_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1482	+	tmp128_AST = astFactory->create(LT(1));
1483	+	astFactory->makeASTRoot(currentAST, tmp128_AST);
1484	+	match(GHOSTBEND);
1485	+	match(LPAREN);
1486	+	doubleNumberTuple();
1487	+	astFactory->addASTChild( currentAST, returnAST );
1488	+	match(RPAREN);
1489	+	match(SEMICOLON);
1490	+	bendstatement_AST = currentAST.root;
1491	+	break;
1492	+	}
1493	+	case UREYBRADLEY:
1494	+	{
1495	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp132_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1496	+	tmp132_AST = astFactory->create(LT(1));
1497	+	astFactory->makeASTRoot(currentAST, tmp132_AST);
1498	+	match(UREYBRADLEY);
1499	+	match(LPAREN);
1500	+	doubleNumberTuple();
1501	+	astFactory->addASTChild( currentAST, returnAST );
1502	+	match(RPAREN);
1503	+	match(SEMICOLON);
1504	+	bendstatement_AST = currentAST.root;
1505	+	break;
1506	+	}
1507	+	case CUBIC:
1508	+	{
1509	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp136_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1510	+	tmp136_AST = astFactory->create(LT(1));
1511	+	astFactory->makeASTRoot(currentAST, tmp136_AST);
1512	+	match(CUBIC);
1513	+	match(LPAREN);
1514	+	doubleNumberTuple();
1515	+	astFactory->addASTChild( currentAST, returnAST );
1516	+	match(RPAREN);
1517	+	match(SEMICOLON);
1518	+	bendstatement_AST = currentAST.root;
1519	+	break;
1520	+	}
1521	+	case QUARTIC:
1522	+	{
1523	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp140_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1524	+	tmp140_AST = astFactory->create(LT(1));
1525	+	astFactory->makeASTRoot(currentAST, tmp140_AST);
1526	+	match(QUARTIC);
1527	+	match(LPAREN);
1528	+	doubleNumberTuple();
1529	+	astFactory->addASTChild( currentAST, returnAST );
1530	+	match(RPAREN);
1531	+	match(SEMICOLON);
1532	+	bendstatement_AST = currentAST.root;
1533	+	break;
1534	+	}
1535	+	case POLYNOMIAL:
1536	+	{
1537	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp144_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1538	+	tmp144_AST = astFactory->create(LT(1));
1539	+	astFactory->makeASTRoot(currentAST, tmp144_AST);
1540	+	match(POLYNOMIAL);
1541	+	match(LPAREN);
1542	+	doubleNumberTuple();
1543		astFactory->addASTChild( currentAST, returnAST );
1544		match(RPAREN);
1545		match(SEMICOLON);
1546		bendstatement_AST = currentAST.root;
1547		break;
1548		}
1549	+	case COSINE:
1550	+	{
1551	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp148_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1552	+	tmp148_AST = astFactory->create(LT(1));
1553	+	astFactory->makeASTRoot(currentAST, tmp148_AST);
1554	+	match(COSINE);
1555	+	match(LPAREN);
1556	+	doubleNumberTuple();
1557	+	astFactory->addASTChild( currentAST, returnAST );
1558	+	match(RPAREN);
1559	+	match(SEMICOLON);
1560	+	bendstatement_AST = currentAST.root;
1561	+	break;
1562	+	}
1563		default:
1564		{
1565		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
#	Line 1020 | Line 1568 | void MDParser::bendstatement() {
1568		}
1569		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1570		reportError(ex);
1571	<	recover(ex,_tokenSet_12);
1571	>	recover(ex,_tokenSet_17);
1572		}
1573		returnAST = bendstatement_AST;
1574		}
#	Line 1041 | Line 1589 | void MDParser::torsionstatement() {
1589		}
1590		case MEMBERS:
1591		{
1592	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1593	<	tmp72_AST = astFactory->create(LT(1));
1594	<	astFactory->makeASTRoot(currentAST, tmp72_AST);
1592	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp152_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1593	>	tmp152_AST = astFactory->create(LT(1));
1594	>	astFactory->makeASTRoot(currentAST, tmp152_AST);
1595		match(MEMBERS);
1596		match(LPAREN);
1597		inttuple();
#	Line 1053 | Line 1601 | void MDParser::torsionstatement() {
1601		torsionstatement_AST = currentAST.root;
1602		break;
1603		}
1604	+	case GHOSTTORSION:
1605	+	{
1606	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp156_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1607	+	tmp156_AST = astFactory->create(LT(1));
1608	+	astFactory->makeASTRoot(currentAST, tmp156_AST);
1609	+	match(GHOSTTORSION);
1610	+	match(LPAREN);
1611	+	doubleNumberTuple();
1612	+	astFactory->addASTChild( currentAST, returnAST );
1613	+	match(RPAREN);
1614	+	match(SEMICOLON);
1615	+	torsionstatement_AST = currentAST.root;
1616	+	break;
1617	+	}
1618	+	case CUBIC:
1619	+	{
1620	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp160_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1621	+	tmp160_AST = astFactory->create(LT(1));
1622	+	astFactory->makeASTRoot(currentAST, tmp160_AST);
1623	+	match(CUBIC);
1624	+	match(LPAREN);
1625	+	doubleNumberTuple();
1626	+	astFactory->addASTChild( currentAST, returnAST );
1627	+	match(RPAREN);
1628	+	match(SEMICOLON);
1629	+	torsionstatement_AST = currentAST.root;
1630	+	break;
1631	+	}
1632	+	case QUARTIC:
1633	+	{
1634	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp164_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1635	+	tmp164_AST = astFactory->create(LT(1));
1636	+	astFactory->makeASTRoot(currentAST, tmp164_AST);
1637	+	match(QUARTIC);
1638	+	match(LPAREN);
1639	+	doubleNumberTuple();
1640	+	astFactory->addASTChild( currentAST, returnAST );
1641	+	match(RPAREN);
1642	+	match(SEMICOLON);
1643	+	torsionstatement_AST = currentAST.root;
1644	+	break;
1645	+	}
1646	+	case POLYNOMIAL:
1647	+	{
1648	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp168_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1649	+	tmp168_AST = astFactory->create(LT(1));
1650	+	astFactory->makeASTRoot(currentAST, tmp168_AST);
1651	+	match(POLYNOMIAL);
1652	+	match(LPAREN);
1653	+	doubleNumberTuple();
1654	+	astFactory->addASTChild( currentAST, returnAST );
1655	+	match(RPAREN);
1656	+	match(SEMICOLON);
1657	+	torsionstatement_AST = currentAST.root;
1658	+	break;
1659	+	}
1660	+	case CHARMM:
1661	+	{
1662	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp172_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1663	+	tmp172_AST = astFactory->create(LT(1));
1664	+	astFactory->makeASTRoot(currentAST, tmp172_AST);
1665	+	match(CHARMM);
1666	+	match(LPAREN);
1667	+	doubleNumberTuple();
1668	+	astFactory->addASTChild( currentAST, returnAST );
1669	+	match(RPAREN);
1670	+	match(SEMICOLON);
1671	+	torsionstatement_AST = currentAST.root;
1672	+	break;
1673	+	}
1674	+	case OPLS:
1675	+	{
1676	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp176_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1677	+	tmp176_AST = astFactory->create(LT(1));
1678	+	astFactory->makeASTRoot(currentAST, tmp176_AST);
1679	+	match(OPLS);
1680	+	match(LPAREN);
1681	+	doubleNumberTuple();
1682	+	astFactory->addASTChild( currentAST, returnAST );
1683	+	match(RPAREN);
1684	+	match(SEMICOLON);
1685	+	torsionstatement_AST = currentAST.root;
1686	+	break;
1687	+	}
1688	+	case TRAPPE:
1689	+	{
1690	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp180_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1691	+	tmp180_AST = astFactory->create(LT(1));
1692	+	astFactory->makeASTRoot(currentAST, tmp180_AST);
1693	+	match(TRAPPE);
1694	+	match(LPAREN);
1695	+	doubleNumberTuple();
1696	+	astFactory->addASTChild( currentAST, returnAST );
1697	+	match(RPAREN);
1698	+	match(SEMICOLON);
1699	+	torsionstatement_AST = currentAST.root;
1700	+	break;
1701	+	}
1702	+	case HARMONIC:
1703	+	{
1704	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp184_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1705	+	tmp184_AST = astFactory->create(LT(1));
1706	+	astFactory->makeASTRoot(currentAST, tmp184_AST);
1707	+	match(HARMONIC);
1708	+	match(LPAREN);
1709	+	doubleNumberTuple();
1710	+	astFactory->addASTChild( currentAST, returnAST );
1711	+	match(RPAREN);
1712	+	match(SEMICOLON);
1713	+	torsionstatement_AST = currentAST.root;
1714	+	break;
1715	+	}
1716		default:
1717		{
1718		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
#	Line 1061 | Line 1721 | void MDParser::torsionstatement() {
1721		}
1722		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1723		reportError(ex);
1724	<	recover(ex,_tokenSet_12);
1724	>	recover(ex,_tokenSet_18);
1725		}
1726		returnAST = torsionstatement_AST;
1727		}
1728
1729	+	void MDParser::inversionstatement() {
1730	+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1731	+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
1732	+	ANTLR_USE_NAMESPACE(antlr)RefAST inversionstatement_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1733	+
1734	+	try {      // for error handling
1735	+	switch ( LA(1)) {
1736	+	case ID:
1737	+	{
1738	+	assignment();
1739	+	astFactory->addASTChild( currentAST, returnAST );
1740	+	inversionstatement_AST = currentAST.root;
1741	+	break;
1742	+	}
1743	+	case CENTER:
1744	+	{
1745	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp188_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1746	+	tmp188_AST = astFactory->create(LT(1));
1747	+	astFactory->makeASTRoot(currentAST, tmp188_AST);
1748	+	match(CENTER);
1749	+	match(LPAREN);
1750	+	intConst();
1751	+	astFactory->addASTChild( currentAST, returnAST );
1752	+	match(RPAREN);
1753	+	match(SEMICOLON);
1754	+	inversionstatement_AST = currentAST.root;
1755	+	break;
1756	+	}
1757	+	case SATELLITES:
1758	+	{
1759	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp192_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1760	+	tmp192_AST = astFactory->create(LT(1));
1761	+	astFactory->makeASTRoot(currentAST, tmp192_AST);
1762	+	match(SATELLITES);
1763	+	match(LPAREN);
1764	+	inttuple();
1765	+	astFactory->addASTChild( currentAST, returnAST );
1766	+	match(RPAREN);
1767	+	match(SEMICOLON);
1768	+	inversionstatement_AST = currentAST.root;
1769	+	break;
1770	+	}
1771	+	case AMBERIMPROPER:
1772	+	{
1773	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp196_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1774	+	tmp196_AST = astFactory->create(LT(1));
1775	+	astFactory->makeASTRoot(currentAST, tmp196_AST);
1776	+	match(AMBERIMPROPER);
1777	+	match(LPAREN);
1778	+	doubleNumberTuple();
1779	+	astFactory->addASTChild( currentAST, returnAST );
1780	+	match(RPAREN);
1781	+	match(SEMICOLON);
1782	+	inversionstatement_AST = currentAST.root;
1783	+	break;
1784	+	}
1785	+	case IMPROPERCOSINE:
1786	+	{
1787	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp200_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1788	+	tmp200_AST = astFactory->create(LT(1));
1789	+	astFactory->makeASTRoot(currentAST, tmp200_AST);
1790	+	match(IMPROPERCOSINE);
1791	+	match(LPAREN);
1792	+	doubleNumberTuple();
1793	+	astFactory->addASTChild( currentAST, returnAST );
1794	+	match(RPAREN);
1795	+	match(SEMICOLON);
1796	+	inversionstatement_AST = currentAST.root;
1797	+	break;
1798	+	}
1799	+	case HARMONIC:
1800	+	{
1801	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp204_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1802	+	tmp204_AST = astFactory->create(LT(1));
1803	+	astFactory->makeASTRoot(currentAST, tmp204_AST);
1804	+	match(HARMONIC);
1805	+	match(LPAREN);
1806	+	doubleNumberTuple();
1807	+	astFactory->addASTChild( currentAST, returnAST );
1808	+	match(RPAREN);
1809	+	match(SEMICOLON);
1810	+	inversionstatement_AST = currentAST.root;
1811	+	break;
1812	+	}
1813	+	case CENTRALATOMHEIGHT:
1814	+	{
1815	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp208_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1816	+	tmp208_AST = astFactory->create(LT(1));
1817	+	astFactory->makeASTRoot(currentAST, tmp208_AST);
1818	+	match(CENTRALATOMHEIGHT);
1819	+	match(LPAREN);
1820	+	doubleNumberTuple();
1821	+	astFactory->addASTChild( currentAST, returnAST );
1822	+	match(RPAREN);
1823	+	match(SEMICOLON);
1824	+	inversionstatement_AST = currentAST.root;
1825	+	break;
1826	+	}
1827	+	case DREIDING:
1828	+	{
1829	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp212_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1830	+	tmp212_AST = astFactory->create(LT(1));
1831	+	astFactory->makeASTRoot(currentAST, tmp212_AST);
1832	+	match(DREIDING);
1833	+	match(LPAREN);
1834	+	doubleNumberTuple();
1835	+	astFactory->addASTChild( currentAST, returnAST );
1836	+	match(RPAREN);
1837	+	match(SEMICOLON);
1838	+	inversionstatement_AST = currentAST.root;
1839	+	break;
1840	+	}
1841	+	default:
1842	+	{
1843	+	throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
1844	+	}
1845	+	}
1846	+	}
1847	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1848	+	reportError(ex);
1849	+	recover(ex,_tokenSet_19);
1850	+	}
1851	+	returnAST = inversionstatement_AST;
1852	+	}
1853	+
1854		void MDParser::rigidbodystatement() {
1855		returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1856		ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
#	Line 1082 | Line 1867 | void MDParser::rigidbodystatement() {
1867		}
1868		case MEMBERS:
1869		{
1870	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp76_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1871	<	tmp76_AST = astFactory->create(LT(1));
1872	<	astFactory->makeASTRoot(currentAST, tmp76_AST);
1870	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp216_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1871	>	tmp216_AST = astFactory->create(LT(1));
1872	>	astFactory->makeASTRoot(currentAST, tmp216_AST);
1873		match(MEMBERS);
1874		match(LPAREN);
1875		inttuple();
#	Line 1102 | Line 1887 | void MDParser::rigidbodystatement() {
1887		}
1888		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1889		reportError(ex);
1890	<	recover(ex,_tokenSet_12);
1890	>	recover(ex,_tokenSet_20);
1891		}
1892		returnAST = rigidbodystatement_AST;
1893		}
#	Line 1123 | Line 1908 | void MDParser::cutoffgroupstatement() {
1908		}
1909		case MEMBERS:
1910		{
1911	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1912	<	tmp80_AST = astFactory->create(LT(1));
1913	<	astFactory->makeASTRoot(currentAST, tmp80_AST);
1911	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp220_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1912	>	tmp220_AST = astFactory->create(LT(1));
1913	>	astFactory->makeASTRoot(currentAST, tmp220_AST);
1914		match(MEMBERS);
1915		match(LPAREN);
1916		inttuple();
#	Line 1143 | Line 1928 | void MDParser::cutoffgroupstatement() {
1928		}
1929		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1930		reportError(ex);
1931	<	recover(ex,_tokenSet_12);
1931	>	recover(ex,_tokenSet_20);
1932		}
1933		returnAST = cutoffgroupstatement_AST;
1934		}
#	Line 1160 | Line 1945 | void MDParser::fragmentstatement() {
1945		}
1946		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1947		reportError(ex);
1948	<	recover(ex,_tokenSet_13);
1948	>	recover(ex,_tokenSet_21);
1949		}
1950		returnAST = fragmentstatement_AST;
1951	+	}
1952	+
1953	+	void MDParser::constraintstatement() {
1954	+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1955	+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
1956	+	ANTLR_USE_NAMESPACE(antlr)RefAST constraintstatement_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1957	+
1958	+	try {      // for error handling
1959	+	switch ( LA(1)) {
1960	+	case ID:
1961	+	{
1962	+	assignment();
1963	+	astFactory->addASTChild( currentAST, returnAST );
1964	+	constraintstatement_AST = currentAST.root;
1965	+	break;
1966	+	}
1967	+	case MEMBERS:
1968	+	{
1969	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp224_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
1970	+	tmp224_AST = astFactory->create(LT(1));
1971	+	astFactory->makeASTRoot(currentAST, tmp224_AST);
1972	+	match(MEMBERS);
1973	+	match(LPAREN);
1974	+	inttuple();
1975	+	astFactory->addASTChild( currentAST, returnAST );
1976	+	match(RPAREN);
1977	+	match(SEMICOLON);
1978	+	constraintstatement_AST = currentAST.root;
1979	+	break;
1980	+	}
1981	+	default:
1982	+	{
1983	+	throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
1984	+	}
1985	+	}
1986	+	}
1987	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1988	+	reportError(ex);
1989	+	recover(ex,_tokenSet_20);
1990	+	}
1991	+	returnAST = constraintstatement_AST;
1992		}
1993
1994		void MDParser::doubleNumber() {
#	Line 1197 | Line 2023 | void MDParser::doubleNumber() {
2023		}
2024		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
2025		reportError(ex);
2026	<	recover(ex,_tokenSet_14);
2026	>	recover(ex,_tokenSet_22);
2027		}
2028		returnAST = doubleNumber_AST;
2029		}
2030
2031		void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory )
2032		{
2033	<	factory.setMaxNodeType(50);
2033	>	factory.setMaxNodeType(77);
2034		}
2035		const char* MDParser::tokenNames[] = {
2036		"<0>",
#	Line 1214 | Line 2040 | const char* MDParser::tokenNames[] = {
2040		"\"component\"",
2041		"\"molecule\"",
2042		"\"zconstraint\"",
2043	+	"\"restraint\"",
2044		"\"atom\"",
2045		"\"bond\"",
2046		"\"bend\"",
2047		"\"torsion\"",
2048	+	"\"inversion\"",
2049		"\"rigidBody\"",
2050		"\"cutoffGroup\"",
2051	+	"\"constraint\"",
2052	+	"\"distance\"",
2053		"\"fragment\"",
2054		"\"members\"",
2055	+	"\"center\"",
2056	+	"\"satellites\"",
2057		"\"position\"",
2058		"\"orientation\"",
2059	+	"\"flucQ\"",
2060	+	"\"RNEMD\"",
2061	+	"\"minimizer\"",
2062	+	"\"Fixed\"",
2063	+	"\"Harmonic\"",
2064	+	"\"Cubic\"",
2065	+	"\"Quartic\"",
2066	+	"\"Polynomial\"",
2067	+	"\"Morse\"",
2068	+	"\"GhostBend\"",
2069	+	"\"UreyBradley\"",
2070	+	"\"Cosine\"",
2071	+	"\"GhostTorsion\"",
2072	+	"\"Charmm\"",
2073	+	"\"Opls\"",
2074	+	"\"Trappe\"",
2075	+	"\"AmberImproper\"",
2076	+	"\"ImproperCosine\"",
2077	+	"\"CentralAtomHeight\"",
2078	+	"\"Dreiding\"",
2079	+	"\"charge\"",
2080		"ENDBLOCK",
2081		"ID",
2082		"ASSIGNEQUAL",
#	Line 1261 | Line 2114 | const char* MDParser::tokenNames[] = {
2114		0
2115		};
2116
2117	<	const unsigned long MDParser::_tokenSet_0_data_[] = { 262256UL, 0UL, 0UL, 0UL };
2118	<	// "component" "molecule" "zconstraint" ID
2117	>	const unsigned long MDParser::_tokenSet_0_data_[] = { 58720496UL, 8192UL, 0UL, 0UL };
2118	>	// "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer"
2119	>	// ID
2120		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4);
2121		const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL };
2122		// EOF
2123		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4);
2124	<	const unsigned long MDParser::_tokenSet_2_data_[] = { 262258UL, 0UL, 0UL, 0UL };
2125	<	// EOF "component" "molecule" "zconstraint" ID
2124	>	const unsigned long MDParser::_tokenSet_2_data_[] = { 58720498UL, 8192UL, 0UL, 0UL };
2125	>	// EOF "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD"
2126	>	// "minimizer" ID
2127		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4);
2128	<	const unsigned long MDParser::_tokenSet_3_data_[] = { 8781810UL, 0UL, 0UL, 0UL };
2129	<	// EOF "component" "molecule" "zconstraint" "atom" "bond" "bend" "torsion"
2130	<	// "rigidBody" "cutoffGroup" "fragment" "members" "position" "orientation"
2128	>	const unsigned long MDParser::_tokenSet_3_data_[] = { 4294901746UL, 274431UL, 0UL, 0UL };
2129	>	// EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend"
2130	>	// "torsion" "inversion" "rigidBody" "cutoffGroup" "constraint" "fragment"
2131	>	// "members" "center" "satellites" "position" "orientation" "flucQ" "RNEMD"
2132	>	// "minimizer" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse"
2133	>	// "GhostBend" "UreyBradley" "Cosine" "GhostTorsion" "Charmm" "Opls" "Trappe"
2134	>	// "AmberImproper" "ImproperCosine" "CentralAtomHeight" "Dreiding" "charge"
2135		// ID RCURLY
2136		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4);
2137	<	const unsigned long MDParser::_tokenSet_4_data_[] = { 278400UL, 0UL, 0UL, 0UL };
2138	<	// "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment"
2139	<	// ID
2137	>	const unsigned long MDParser::_tokenSet_4_data_[] = { 196352UL, 8192UL, 0UL, 0UL };
2138	>	// "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup"
2139	>	// "constraint" "fragment" ID
2140		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4);
2141	<	const unsigned long MDParser::_tokenSet_5_data_[] = { 1048576UL, 0UL, 0UL, 0UL };
2141	>	const unsigned long MDParser::_tokenSet_5_data_[] = { 0UL, 32768UL, 0UL, 0UL };
2142		// SEMICOLON
2143		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4);
2144	<	const unsigned long MDParser::_tokenSet_6_data_[] = { 437256192UL, 0UL, 0UL, 0UL };
2144	>	const unsigned long MDParser::_tokenSet_6_data_[] = { 0UL, 13664256UL, 0UL, 0UL };
2145		// SEMICOLON RBRACKET RPAREN COMMA
2146		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4);
2147	<	const unsigned long MDParser::_tokenSet_7_data_[] = { 403701760UL, 0UL, 0UL, 0UL };
2147	>	const unsigned long MDParser::_tokenSet_7_data_[] = { 0UL, 12615680UL, 0UL, 0UL };
2148		// SEMICOLON RPAREN COMMA
2149		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4);
2150	<	const unsigned long MDParser::_tokenSet_8_data_[] = { 8667008UL, 0UL, 0UL, 0UL };
2151	<	// "atom" "bond" "bend" "torsion" "rigidBody" "cutoffGroup" "fragment"
2152	<	// ID RCURLY
2150	>	const unsigned long MDParser::_tokenSet_8_data_[] = { 196352UL, 270336UL, 0UL, 0UL };
2151	>	// "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup"
2152	>	// "constraint" "fragment" ID RCURLY
2153		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4);
2154	<	const unsigned long MDParser::_tokenSet_9_data_[] = { 360448UL, 0UL, 0UL, 0UL };
2155	<	// "position" "orientation" ID
2154	>	const unsigned long MDParser::_tokenSet_9_data_[] = { 6291456UL, 10240UL, 0UL, 0UL };
2155	>	// "position" "orientation" "charge" ID
2156		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4);
2157	<	const unsigned long MDParser::_tokenSet_10_data_[] = { 8749056UL, 0UL, 0UL, 0UL };
2158	<	// "position" "orientation" ID RCURLY
2157	>	const unsigned long MDParser::_tokenSet_10_data_[] = { 4228120576UL, 8192UL, 0UL, 0UL };
2158	>	// "members" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse"
2159	>	// ID
2160		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4);
2161	<	const unsigned long MDParser::_tokenSet_11_data_[] = { 134217728UL, 0UL, 0UL, 0UL };
2162	<	// RPAREN
2161	>	const unsigned long MDParser::_tokenSet_11_data_[] = { 2013528064UL, 8199UL, 0UL, 0UL };
2162	>	// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostBend" "UreyBradley"
2163	>	// "Cosine" ID
2164		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4);
2165	<	const unsigned long MDParser::_tokenSet_12_data_[] = { 8667136UL, 0UL, 0UL, 0UL };
2166	<	// "members" ID RCURLY
2165	>	const unsigned long MDParser::_tokenSet_12_data_[] = { 2013528064UL, 8312UL, 0UL, 0UL };
2166	>	// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostTorsion" "Charmm"
2167	>	// "Opls" "Trappe" ID
2168		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4);
2169	<	const unsigned long MDParser::_tokenSet_13_data_[] = { 8650752UL, 0UL, 0UL, 0UL };
2170	<	// ID RCURLY
2169	>	const unsigned long MDParser::_tokenSet_13_data_[] = { 135790592UL, 10112UL, 0UL, 0UL };
2170	>	// "center" "satellites" "Harmonic" "AmberImproper" "ImproperCosine" "CentralAtomHeight"
2171	>	// "Dreiding" ID
2172		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4);
2173	<	const unsigned long MDParser::_tokenSet_14_data_[] = { 402653184UL, 0UL, 0UL, 0UL };
2174	<	// RPAREN COMMA
2173	>	const unsigned long MDParser::_tokenSet_14_data_[] = { 6291456UL, 272384UL, 0UL, 0UL };
2174	>	// "position" "orientation" "charge" ID RCURLY
2175		const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4);
2176	+	const unsigned long MDParser::_tokenSet_15_data_[] = { 0UL, 4194304UL, 0UL, 0UL };
2177	+	// RPAREN
2178	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4);
2179	+	const unsigned long MDParser::_tokenSet_16_data_[] = { 4228120576UL, 270336UL, 0UL, 0UL };
2180	+	// "members" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse"
2181	+	// ID RCURLY
2182	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_16(_tokenSet_16_data_,4);
2183	+	const unsigned long MDParser::_tokenSet_17_data_[] = { 2013528064UL, 270343UL, 0UL, 0UL };
2184	+	// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostBend" "UreyBradley"
2185	+	// "Cosine" ID RCURLY
2186	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_17(_tokenSet_17_data_,4);
2187	+	const unsigned long MDParser::_tokenSet_18_data_[] = { 2013528064UL, 270456UL, 0UL, 0UL };
2188	+	// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostTorsion" "Charmm"
2189	+	// "Opls" "Trappe" ID RCURLY
2190	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_18(_tokenSet_18_data_,4);
2191	+	const unsigned long MDParser::_tokenSet_19_data_[] = { 135790592UL, 272256UL, 0UL, 0UL };
2192	+	// "center" "satellites" "Harmonic" "AmberImproper" "ImproperCosine" "CentralAtomHeight"
2193	+	// "Dreiding" ID RCURLY
2194	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_19(_tokenSet_19_data_,4);
2195	+	const unsigned long MDParser::_tokenSet_20_data_[] = { 262144UL, 270336UL, 0UL, 0UL };
2196	+	// "members" ID RCURLY
2197	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_20(_tokenSet_20_data_,4);
2198	+	const unsigned long MDParser::_tokenSet_21_data_[] = { 0UL, 270336UL, 0UL, 0UL };
2199	+	// ID RCURLY
2200	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_21(_tokenSet_21_data_,4);
2201	+	const unsigned long MDParser::_tokenSet_22_data_[] = { 0UL, 12582912UL, 0UL, 0UL };
2202	+	// RPAREN COMMA
2203	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_22(_tokenSet_22_data_,4);
2204
2205

Comparing trunk/src/mdParser/MDParser.cpp (property svn:keywords):
Revision 814 by tim, Fri Dec 16 02:57:00 2005 UTC vs.
Revision 2046 by gezelter, Tue Dec 2 22:11:04 2014 UTC

#	Line 0 | Line 1
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