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

Comparing trunk/src/mdParser/MDTreeParser.cpp (file contents):
Revision 2045 by gezelter, Thu Nov 13 17:49:44 2014 UTC vs.
Revision 2046 by gezelter, Tue Dec 2 22:11:04 2014 UTC

#	Line 534 | Line 534 | int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)
534		}
535
536		int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
537	<	#line 312 "MDTreeParser.g"
537	>	#line 349 "MDTreeParser.g"
538		int ival;
539		#line 540 "MDTreeParser.cpp"
540		ANTLR_USE_NAMESPACE(antlr)RefAST intConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
#	Line 550 | Line 550 | int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)
550		i1 = _t;
551		match(_t,NUM_INT);
552		_t = _t->getNextSibling();
553	<	#line 313 "MDTreeParser.g"
553	>	#line 350 "MDTreeParser.g"
554		ival = lexi_cast<int>(i1->getText());
555		#line 556 "MDTreeParser.cpp"
556		break;
#	Line 560 | Line 560 | int  MDTreeParser::intConst(ANTLR_USE_NAMESPACE(antlr)
560		i2 = _t;
561		match(_t,NUM_LONG);
562		_t = _t->getNextSibling();
563	<	#line 314 "MDTreeParser.g"
563	>	#line 351 "MDTreeParser.g"
564		ival = lexi_cast<int>(i2->getText());
565		#line 566 "MDTreeParser.cpp"
566		break;
#	Line 581 | Line 581 | RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE
581		}
582
583		RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
584	<	#line 324 "MDTreeParser.g"
584	>	#line 361 "MDTreeParser.g"
585		RealType dval;
586		#line 587 "MDTreeParser.cpp"
587		ANTLR_USE_NAMESPACE(antlr)RefAST floatConst_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
#	Line 597 | Line 597 | RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE
597		d1 = _t;
598		match(_t,NUM_FLOAT);
599		_t = _t->getNextSibling();
600	<	#line 325 "MDTreeParser.g"
600	>	#line 362 "MDTreeParser.g"
601		dval = lexi_cast<RealType>(d1->getText());
602		#line 603 "MDTreeParser.cpp"
603		break;
#	Line 607 | Line 607 | RealType  MDTreeParser::floatConst(ANTLR_USE_NAMESPACE
607		d2 = _t;
608		match(_t,NUM_DOUBLE);
609		_t = _t->getNextSibling();
610	<	#line 326 "MDTreeParser.g"
610	>	#line 363 "MDTreeParser.g"
611		dval = lexi_cast<RealType>(d2->getText());
612		#line 613 "MDTreeParser.cpp"
613		break;
#	Line 628 | Line 628 | vector<RealType>  MDTreeParser::doubleNumberTuple(ANTL
628		}
629
630		vector<RealType>  MDTreeParser::doubleNumberTuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
631	<	#line 296 "MDTreeParser.g"
631	>	#line 333 "MDTreeParser.g"
632		vector<RealType> dvec;
633		#line 634 "MDTreeParser.cpp"
634		ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumberTuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
635	<	#line 296 "MDTreeParser.g"
635	>	#line 333 "MDTreeParser.g"
636
637		RealType dval;
638
#	Line 640 | Line 640 | vector<RealType>  MDTreeParser::doubleNumberTuple(ANTL
640
641		try {      // for error handling
642		{ // ( ... )+
643	<	int _cnt95=0;
643	>	int _cnt122=0;
644		for (;;) {
645		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
646		_t = ASTNULL;
647		if (((_t->getType() >= NUM_INT && _t->getType() <= NUM_DOUBLE))) {
648		dval=doubleNumber(_t);
649		_t = _retTree;
650	<	#line 300 "MDTreeParser.g"
650	>	#line 337 "MDTreeParser.g"
651		dvec.push_back(dval);
652		#line 653 "MDTreeParser.cpp"
653		}
654		else {
655	<	if ( _cnt95>=1 ) { goto _loop95; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);}
655	>	if ( _cnt122>=1 ) { goto _loop122; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);}
656		}
657
658	<	_cnt95++;
658	>	_cnt122++;
659		}
660	<	_loop95:;
660	>	_loop122:;
661		}  // ( ... )+
662		}
663		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 772 | Line 772 | void MDTreeParser::atomblock(ANTLR_USE_NAMESPACE(antlr
772		for (;;) {
773		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
774		_t = ASTNULL;
775	<	if ((_t->getType() == POSITION || _t->getType() == ORIENTATION || _t->getType() == ASSIGNEQUAL)) {
775	>	if ((_tokenSet_2.member(_t->getType()))) {
776		atomstatement(_t);
777		_t = _retTree;
778		}
#	Line 809 | Line 809 | void MDTreeParser::bondblock(ANTLR_USE_NAMESPACE(antlr
809		ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
810
811		try {      // for error handling
812	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t46 = _t;
812	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t47 = _t;
813		ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST_in = _t;
814		match(_t,BOND);
815		_t = _t->getFirstChild();
816	<	#line 144 "MDTreeParser.g"
816	>	#line 147 "MDTreeParser.g"
817		BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp);
818		#line 819 "MDTreeParser.cpp"
819		{ // ( ... )*
820		for (;;) {
821		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
822		_t = ASTNULL;
823	<	if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) {
823	>	if ((_tokenSet_3.member(_t->getType()))) {
824		bondstatement(_t);
825		_t = _retTree;
826		}
827		else {
828	<	goto _loop48;
828	>	goto _loop49;
829		}
830
831		}
832	<	_loop48:;
832	>	_loop49:;
833		} // ( ... )*
834		ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST_in = _t;
835		match(_t,ENDBLOCK);
836		_t = _t->getNextSibling();
837	<	_t = __t46;
837	>	_t = __t47;
838		_t = _t->getNextSibling();
839	<	#line 146 "MDTreeParser.g"
839	>	#line 149 "MDTreeParser.g"
840
841	+	blockStack.top()->validate();
842		blockStack.pop();
843		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
844		currMoleculeStamp->addBondStamp(currBondStamp);
845
846	<	#line 846 "MDTreeParser.cpp"
846	>	#line 847 "MDTreeParser.cpp"
847		}
848		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
849		reportError(ex);
#	Line 856 | Line 857 | void MDTreeParser::bendblock(ANTLR_USE_NAMESPACE(antlr
857		ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
858
859		try {      // for error handling
860	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t52 = _t;
860	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t59 = _t;
861		ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST_in = _t;
862		match(_t,BEND);
863		_t = _t->getFirstChild();
864	<	#line 162 "MDTreeParser.g"
864	>	#line 174 "MDTreeParser.g"
865		BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp);
866	<	#line 866 "MDTreeParser.cpp"
866	>	#line 867 "MDTreeParser.cpp"
867		{ // ( ... )*
868		for (;;) {
869		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
870		_t = ASTNULL;
871	<	if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) {
871	>	if ((_tokenSet_4.member(_t->getType()))) {
872		bendstatement(_t);
873		_t = _retTree;
874		}
875		else {
876	<	goto _loop54;
876	>	goto _loop61;
877		}
878
879		}
880	<	_loop54:;
880	>	_loop61:;
881		} // ( ... )*
882		ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST_in = _t;
883		match(_t,ENDBLOCK);
884		_t = _t->getNextSibling();
885	<	_t = __t52;
885	>	_t = __t59;
886		_t = _t->getNextSibling();
887	<	#line 164 "MDTreeParser.g"
887	>	#line 176 "MDTreeParser.g"
888
889		blockStack.top()->validate();
890		blockStack.pop();
891		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
892		currMoleculeStamp->addBendStamp(currBendStamp);
893
894	<	#line 894 "MDTreeParser.cpp"
894	>	#line 895 "MDTreeParser.cpp"
895		}
896		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
897		reportError(ex);
#	Line 904 | Line 905 | void MDTreeParser::torsionblock(ANTLR_USE_NAMESPACE(an
905		ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
906
907		try {      // for error handling
908	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t58 = _t;
908	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t72 = _t;
909		ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST_in = _t;
910		match(_t,TORSION);
911		_t = _t->getFirstChild();
912	<	#line 181 "MDTreeParser.g"
912	>	#line 201 "MDTreeParser.g"
913		TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp);
914	<	#line 914 "MDTreeParser.cpp"
914	>	#line 915 "MDTreeParser.cpp"
915		{ // ( ... )*
916		for (;;) {
917		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
918		_t = ASTNULL;
919	<	if ((_t->getType() == MEMBERS || _t->getType() == ASSIGNEQUAL)) {
919	>	if ((_tokenSet_5.member(_t->getType()))) {
920		torsionstatement(_t);
921		_t = _retTree;
922		}
923		else {
924	<	goto _loop60;
924	>	goto _loop74;
925		}
926
927		}
928	<	_loop60:;
928	>	_loop74:;
929		} // ( ... )*
930		ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST_in = _t;
931		match(_t,ENDBLOCK);
932		_t = _t->getNextSibling();
933	<	_t = __t58;
933	>	_t = __t72;
934		_t = _t->getNextSibling();
935	<	#line 183 "MDTreeParser.g"
935	>	#line 203 "MDTreeParser.g"
936
937		blockStack.top()->validate();
938		blockStack.pop();
939		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
940		currMoleculeStamp->addTorsionStamp(currTorsionStamp);
941
942	<	#line 942 "MDTreeParser.cpp"
942	>	#line 943 "MDTreeParser.cpp"
943		}
944		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
945		reportError(ex);
#	Line 952 | Line 953 | void MDTreeParser::inversionblock(ANTLR_USE_NAMESPACE(
953		ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
954
955		try {      // for error handling
956	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t64 = _t;
956	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t86 = _t;
957		ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST_in = _t;
958		match(_t,INVERSION);
959		_t = _t->getFirstChild();
960	<	#line 200 "MDTreeParser.g"
960	>	#line 230 "MDTreeParser.g"
961		InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp);
962	<	#line 962 "MDTreeParser.cpp"
962	>	#line 963 "MDTreeParser.cpp"
963		{ // ( ... )*
964		for (;;) {
965		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
966		_t = ASTNULL;
967	<	if ((_t->getType() == CENTER || _t->getType() == SATELLITES || _t->getType() == ASSIGNEQUAL)) {
967	>	if ((_tokenSet_6.member(_t->getType()))) {
968		inversionstatement(_t);
969		_t = _retTree;
970		}
971		else {
972	<	goto _loop66;
972	>	goto _loop88;
973		}
974
975		}
976	<	_loop66:;
976	>	_loop88:;
977		} // ( ... )*
978		ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST_in = _t;
979		match(_t,ENDBLOCK);
980		_t = _t->getNextSibling();
981	<	_t = __t64;
981	>	_t = __t86;
982		_t = _t->getNextSibling();
983	<	#line 202 "MDTreeParser.g"
983	>	#line 232 "MDTreeParser.g"
984
985		blockStack.top()->validate();
986		blockStack.pop();
987		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
988		currMoleculeStamp->addInversionStamp(currInversionStamp);
989
990	<	#line 990 "MDTreeParser.cpp"
990	>	#line 991 "MDTreeParser.cpp"
991		}
992		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
993		reportError(ex);
#	Line 998 | Line 999 | void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(
999
1000		void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1001		ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1002	<	#line 221 "MDTreeParser.g"
1002	>	#line 258 "MDTreeParser.g"
1003
1004		int index;
1005
1006	<	#line 1006 "MDTreeParser.cpp"
1006	>	#line 1007 "MDTreeParser.cpp"
1007
1008		try {      // for error handling
1009	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t71 = _t;
1009	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t98 = _t;
1010		ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST_in = _t;
1011		match(_t,RIGIDBODY);
1012		_t = _t->getFirstChild();
1013		index=intConst(_t);
1014		_t = _retTree;
1015	<	#line 225 "MDTreeParser.g"
1015	>	#line 262 "MDTreeParser.g"
1016		RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp);
1017	<	#line 1017 "MDTreeParser.cpp"
1017	>	#line 1018 "MDTreeParser.cpp"
1018		{ // ( ... )*
1019		for (;;) {
1020		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1023 | Line 1024 | void MDTreeParser::rigidbodyblock(ANTLR_USE_NAMESPACE(
1024		_t = _retTree;
1025		}
1026		else {
1027	<	goto _loop73;
1027	>	goto _loop100;
1028		}
1029
1030		}
1031	<	_loop73:;
1031	>	_loop100:;
1032		} // ( ... )*
1033		ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST_in = _t;
1034		match(_t,ENDBLOCK);
1035		_t = _t->getNextSibling();
1036	<	_t = __t71;
1036	>	_t = __t98;
1037		_t = _t->getNextSibling();
1038	<	#line 227 "MDTreeParser.g"
1038	>	#line 264 "MDTreeParser.g"
1039
1040		blockStack.top()->validate();
1041		blockStack.pop();
1042		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
1043		currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp);
1044
1045	<	#line 1045 "MDTreeParser.cpp"
1045	>	#line 1046 "MDTreeParser.cpp"
1046		}
1047		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1048		reportError(ex);
#	Line 1055 | Line 1056 | void MDTreeParser::cutoffgroupblock(ANTLR_USE_NAMESPAC
1056		ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1057
1058		try {      // for error handling
1059	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t77 = _t;
1059	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t104 = _t;
1060		ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST_in = _t;
1061		match(_t,CUTOFFGROUP);
1062		_t = _t->getFirstChild();
1063	<	#line 244 "MDTreeParser.g"
1063	>	#line 281 "MDTreeParser.g"
1064		CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp);
1065	<	#line 1065 "MDTreeParser.cpp"
1065	>	#line 1066 "MDTreeParser.cpp"
1066		{ // ( ... )*
1067		for (;;) {
1068		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1071 | Line 1072 | void MDTreeParser::cutoffgroupblock(ANTLR_USE_NAMESPAC
1072		_t = _retTree;
1073		}
1074		else {
1075	<	goto _loop79;
1075	>	goto _loop106;
1076		}
1077
1078		}
1079	<	_loop79:;
1079	>	_loop106:;
1080		} // ( ... )*
1081		ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST_in = _t;
1082		match(_t,ENDBLOCK);
1083		_t = _t->getNextSibling();
1084	<	_t = __t77;
1084	>	_t = __t104;
1085		_t = _t->getNextSibling();
1086	<	#line 246 "MDTreeParser.g"
1086	>	#line 283 "MDTreeParser.g"
1087
1088		blockStack.top()->validate();
1089		blockStack.pop();
1090		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
1091		currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp);
1092
1093	<	#line 1093 "MDTreeParser.cpp"
1093	>	#line 1094 "MDTreeParser.cpp"
1094		}
1095		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1096		reportError(ex);
#	Line 1101 | Line 1102 | void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(a
1102
1103		void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1104		ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1105	<	#line 263 "MDTreeParser.g"
1105	>	#line 300 "MDTreeParser.g"
1106		int ival;
1107	<	#line 1107 "MDTreeParser.cpp"
1107	>	#line 1108 "MDTreeParser.cpp"
1108
1109		try {      // for error handling
1110	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t83 = _t;
1110	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t110 = _t;
1111		ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST_in = _t;
1112		match(_t,FRAGMENT);
1113		_t = _t->getFirstChild();
1114		ival=intConst(_t);
1115		_t = _retTree;
1116	<	#line 264 "MDTreeParser.g"
1116	>	#line 301 "MDTreeParser.g"
1117		FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp);
1118	<	#line 1118 "MDTreeParser.cpp"
1118	>	#line 1119 "MDTreeParser.cpp"
1119		{ // ( ... )*
1120		for (;;) {
1121		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1124 | Line 1125 | void MDTreeParser::fragmentblock(ANTLR_USE_NAMESPACE(a
1125		_t = _retTree;
1126		}
1127		else {
1128	<	goto _loop85;
1128	>	goto _loop112;
1129		}
1130
1131		}
1132	<	_loop85:;
1132	>	_loop112:;
1133		} // ( ... )*
1134		ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST_in = _t;
1135		match(_t,ENDBLOCK);
1136		_t = _t->getNextSibling();
1137	<	_t = __t83;
1137	>	_t = __t110;
1138		_t = _t->getNextSibling();
1139	<	#line 266 "MDTreeParser.g"
1139	>	#line 303 "MDTreeParser.g"
1140
1141		blockStack.top()->validate();
1142		blockStack.pop();
1143		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
1144		currMoleculeStamp->addFragmentStamp(currFragmentStamp);
1145
1146	<	#line 1146 "MDTreeParser.cpp"
1146	>	#line 1147 "MDTreeParser.cpp"
1147		}
1148		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1149		reportError(ex);
#	Line 1156 | Line 1157 | void MDTreeParser::constraintblock(ANTLR_USE_NAMESPACE
1157		ANTLR_USE_NAMESPACE(antlr)RefAST constraintblock_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1158
1159		try {      // for error handling
1160	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t88 = _t;
1160	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t115 = _t;
1161		ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST_in = _t;
1162		match(_t,CONSTRAINT);
1163		_t = _t->getFirstChild();
1164	<	#line 277 "MDTreeParser.g"
1164	>	#line 314 "MDTreeParser.g"
1165		ConstraintStamp* currConstraintStamp = new ConstraintStamp(); blockStack.push(currConstraintStamp);
1166	<	#line 1166 "MDTreeParser.cpp"
1166	>	#line 1167 "MDTreeParser.cpp"
1167		{ // ( ... )*
1168		for (;;) {
1169		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1172 | Line 1173 | void MDTreeParser::constraintblock(ANTLR_USE_NAMESPACE
1173		_t = _retTree;
1174		}
1175		else {
1176	<	goto _loop90;
1176	>	goto _loop117;
1177		}
1178
1179		}
1180	<	_loop90:;
1180	>	_loop117:;
1181		} // ( ... )*
1182		ANTLR_USE_NAMESPACE(antlr)RefAST tmp35_AST_in = _t;
1183		match(_t,ENDBLOCK);
1184		_t = _t->getNextSibling();
1185	<	_t = __t88;
1185	>	_t = __t115;
1186		_t = _t->getNextSibling();
1187	<	#line 279 "MDTreeParser.g"
1187	>	#line 316 "MDTreeParser.g"
1188
1189		blockStack.pop();
1190		MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
1191		currMoleculeStamp->addConstraintStamp(currConstraintStamp);
1192
1193	<	#line 1193 "MDTreeParser.cpp"
1193	>	#line 1194 "MDTreeParser.cpp"
1194		}
1195		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1196		reportError(ex);
#	Line 1204 | Line 1205 | void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(a
1205		#line 132 "MDTreeParser.g"
1206
1207		vector<RealType> dvec;
1208	+	RealType rval;
1209		AtomStamp* currAtomStamp =  static_cast<AtomStamp*>(blockStack.top());
1210
1211
1212	<	#line 1211 "MDTreeParser.cpp"
1212	>	#line 1213 "MDTreeParser.cpp"
1213
1214		try {      // for error handling
1215		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1229 | Line 1231 | void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(a
1231		_t = _retTree;
1232		_t = __t43;
1233		_t = _t->getNextSibling();
1234	<	#line 139 "MDTreeParser.g"
1234	>	#line 140 "MDTreeParser.g"
1235		currAtomStamp->setPosition(dvec);
1236	<	#line 1235 "MDTreeParser.cpp"
1236	>	#line 1237 "MDTreeParser.cpp"
1237		break;
1238		}
1239		case ORIENTATION:
#	Line 1244 | Line 1246 | void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(a
1246		_t = _retTree;
1247		_t = __t44;
1248		_t = _t->getNextSibling();
1249	<	#line 140 "MDTreeParser.g"
1249	>	#line 141 "MDTreeParser.g"
1250		currAtomStamp->setOrientation(dvec);
1251	<	#line 1250 "MDTreeParser.cpp"
1251	>	#line 1252 "MDTreeParser.cpp"
1252		break;
1253		}
1254	+	case CHARGE:
1255	+	{
1256	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t45 = _t;
1257	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST_in = _t;
1258	+	match(_t,CHARGE);
1259	+	_t = _t->getFirstChild();
1260	+	rval=doubleNumber(_t);
1261	+	_t = _retTree;
1262	+	_t = __t45;
1263	+	_t = _t->getNextSibling();
1264	+	#line 142 "MDTreeParser.g"
1265	+	currAtomStamp->overrideCharge(rval);
1266	+	#line 1267 "MDTreeParser.cpp"
1267	+	break;
1268	+	}
1269		default:
1270		{
1271		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);
#	Line 1263 | Line 1280 | void MDTreeParser::atomstatement(ANTLR_USE_NAMESPACE(a
1280		_retTree = _t;
1281		}
1282
1283	+	RealType  MDTreeParser::doubleNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1284	+	#line 355 "MDTreeParser.g"
1285	+	RealType dval;
1286	+	#line 1287 "MDTreeParser.cpp"
1287	+	ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumber_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1288	+	ANTLR_USE_NAMESPACE(antlr)RefAST ic = ANTLR_USE_NAMESPACE(antlr)nullAST;
1289	+	ANTLR_USE_NAMESPACE(antlr)RefAST fc = ANTLR_USE_NAMESPACE(antlr)nullAST;
1290	+
1291	+	try {      // for error handling
1292	+	if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
1293	+	_t = ASTNULL;
1294	+	switch ( _t->getType()) {
1295	+	case NUM_INT:
1296	+	case NUM_LONG:
1297	+	{
1298	+	ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1299	+	intConst(_t);
1300	+	_t = _retTree;
1301	+	#line 356 "MDTreeParser.g"
1302	+	dval = lexi_cast<RealType>(ic->getText());
1303	+	#line 1304 "MDTreeParser.cpp"
1304	+	break;
1305	+	}
1306	+	case NUM_FLOAT:
1307	+	case NUM_DOUBLE:
1308	+	{
1309	+	fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1310	+	floatConst(_t);
1311	+	_t = _retTree;
1312	+	#line 357 "MDTreeParser.g"
1313	+	dval = lexi_cast<RealType>(fc->getText());
1314	+	#line 1315 "MDTreeParser.cpp"
1315	+	break;
1316	+	}
1317	+	default:
1318	+	{
1319	+	throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);
1320	+	}
1321	+	}
1322	+	}
1323	+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1324	+	reportError(ex);
1325	+	if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST )
1326	+	_t = _t->getNextSibling();
1327	+	}
1328	+	_retTree = _t;
1329	+	return dval;
1330	+	}
1331	+
1332		void MDTreeParser::bondstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1333		ANTLR_USE_NAMESPACE(antlr)RefAST bondstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1334	<	#line 153 "MDTreeParser.g"
1334	>	#line 157 "MDTreeParser.g"
1335
1336		vector<int> ivec;
1337	+	RealType rval;
1338	+	vector<RealType> dvec;
1339		BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top());
1340
1341	<	#line 1274 "MDTreeParser.cpp"
1341	>	#line 1342 "MDTreeParser.cpp"
1342
1343		try {      // for error handling
1344		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1284 | Line 1352 | void MDTreeParser::bondstatement(ANTLR_USE_NAMESPACE(a
1352		}
1353		case MEMBERS:
1354		{
1355	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t50 = _t;
1356	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST_in = _t;
1355	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t51 = _t;
1356	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST_in = _t;
1357		match(_t,MEMBERS);
1358		_t = _t->getFirstChild();
1359		ivec=inttuple(_t);
1360		_t = _retTree;
1361	<	_t = __t50;
1361	>	_t = __t51;
1362		_t = _t->getNextSibling();
1363	<	#line 159 "MDTreeParser.g"
1363	>	#line 165 "MDTreeParser.g"
1364		currBondStamp->setMembers(ivec);
1365	<	#line 1298 "MDTreeParser.cpp"
1365	>	#line 1366 "MDTreeParser.cpp"
1366		break;
1367		}
1368	+	case FIXED:
1369	+	{
1370	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t52 = _t;
1371	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST_in = _t;
1372	+	match(_t,FIXED);
1373	+	_t = _t->getFirstChild();
1374	+	rval=doubleNumber(_t);
1375	+	_t = _retTree;
1376	+	_t = __t52;
1377	+	_t = _t->getNextSibling();
1378	+	#line 166 "MDTreeParser.g"
1379	+	currBondStamp->overrideType("Fixed", rval);
1380	+	#line 1381 "MDTreeParser.cpp"
1381	+	break;
1382	+	}
1383	+	case HARMONIC:
1384	+	{
1385	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t53 = _t;
1386	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp41_AST_in = _t;
1387	+	match(_t,HARMONIC);
1388	+	_t = _t->getFirstChild();
1389	+	dvec=doubleNumberTuple(_t);
1390	+	_t = _retTree;
1391	+	_t = __t53;
1392	+	_t = _t->getNextSibling();
1393	+	#line 167 "MDTreeParser.g"
1394	+	currBondStamp->overrideType("Harmonic", dvec);
1395	+	#line 1396 "MDTreeParser.cpp"
1396	+	break;
1397	+	}
1398	+	case CUBIC:
1399	+	{
1400	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t54 = _t;
1401	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST_in = _t;
1402	+	match(_t,CUBIC);
1403	+	_t = _t->getFirstChild();
1404	+	dvec=doubleNumberTuple(_t);
1405	+	_t = _retTree;
1406	+	_t = __t54;
1407	+	_t = _t->getNextSibling();
1408	+	#line 168 "MDTreeParser.g"
1409	+	currBondStamp->overrideType("Cubic", dvec);
1410	+	#line 1411 "MDTreeParser.cpp"
1411	+	break;
1412	+	}
1413	+	case QUARTIC:
1414	+	{
1415	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t55 = _t;
1416	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST_in = _t;
1417	+	match(_t,QUARTIC);
1418	+	_t = _t->getFirstChild();
1419	+	dvec=doubleNumberTuple(_t);
1420	+	_t = _retTree;
1421	+	_t = __t55;
1422	+	_t = _t->getNextSibling();
1423	+	#line 169 "MDTreeParser.g"
1424	+	currBondStamp->overrideType("Quartic", dvec);
1425	+	#line 1426 "MDTreeParser.cpp"
1426	+	break;
1427	+	}
1428	+	case POLYNOMIAL:
1429	+	{
1430	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t56 = _t;
1431	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST_in = _t;
1432	+	match(_t,POLYNOMIAL);
1433	+	_t = _t->getFirstChild();
1434	+	dvec=doubleNumberTuple(_t);
1435	+	_t = _retTree;
1436	+	_t = __t56;
1437	+	_t = _t->getNextSibling();
1438	+	#line 170 "MDTreeParser.g"
1439	+	currBondStamp->overrideType("Polynomial", dvec);
1440	+	#line 1441 "MDTreeParser.cpp"
1441	+	break;
1442	+	}
1443	+	case MORSE:
1444	+	{
1445	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t57 = _t;
1446	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp45_AST_in = _t;
1447	+	match(_t,MORSE);
1448	+	_t = _t->getFirstChild();
1449	+	dvec=doubleNumberTuple(_t);
1450	+	_t = _retTree;
1451	+	_t = __t57;
1452	+	_t = _t->getNextSibling();
1453	+	#line 171 "MDTreeParser.g"
1454	+	currBondStamp->overrideType("Morse", dvec);
1455	+	#line 1456 "MDTreeParser.cpp"
1456	+	break;
1457	+	}
1458		default:
1459		{
1460		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);
#	Line 1312 | Line 1470 | vector<int>  MDTreeParser::inttuple(ANTLR_USE_NAMESPAC
1470		}
1471
1472		vector<int>  MDTreeParser::inttuple(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1473	<	#line 304 "MDTreeParser.g"
1473	>	#line 341 "MDTreeParser.g"
1474		vector<int> ivec;
1475	<	#line 1318 "MDTreeParser.cpp"
1475	>	#line 1476 "MDTreeParser.cpp"
1476		ANTLR_USE_NAMESPACE(antlr)RefAST inttuple_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1477	<	#line 304 "MDTreeParser.g"
1477	>	#line 341 "MDTreeParser.g"
1478
1479		int ival;
1480
1481	<	#line 1324 "MDTreeParser.cpp"
1481	>	#line 1482 "MDTreeParser.cpp"
1482
1483		try {      // for error handling
1484		{ // ( ... )+
1485	<	int _cnt98=0;
1485	>	int _cnt125=0;
1486		for (;;) {
1487		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
1488		_t = ASTNULL;
1489		if ((_t->getType() == NUM_INT || _t->getType() == NUM_LONG)) {
1490		ival=intConst(_t);
1491		_t = _retTree;
1492	<	#line 308 "MDTreeParser.g"
1492	>	#line 345 "MDTreeParser.g"
1493		ivec.push_back(ival);
1494	<	#line 1337 "MDTreeParser.cpp"
1494	>	#line 1495 "MDTreeParser.cpp"
1495		}
1496		else {
1497	<	if ( _cnt98>=1 ) { goto _loop98; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);}
1497	>	if ( _cnt125>=1 ) { goto _loop125; } else {throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);}
1498		}
1499
1500	<	_cnt98++;
1500	>	_cnt125++;
1501		}
1502	<	_loop98:;
1502	>	_loop125:;
1503		}  // ( ... )+
1504		}
1505		catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
#	Line 1355 | Line 1513 | void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(a
1513
1514		void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1515		ANTLR_USE_NAMESPACE(antlr)RefAST bendstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1516	<	#line 172 "MDTreeParser.g"
1516	>	#line 184 "MDTreeParser.g"
1517
1518		vector<int> ivec;
1519	+	vector<RealType> dvec;
1520		BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top());
1521
1522	<	#line 1364 "MDTreeParser.cpp"
1522	>	#line 1523 "MDTreeParser.cpp"
1523
1524		try {      // for error handling
1525		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1374 | Line 1533 | void MDTreeParser::bendstatement(ANTLR_USE_NAMESPACE(a
1533		}
1534		case MEMBERS:
1535		{
1536	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t56 = _t;
1537	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST_in = _t;
1536	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t63 = _t;
1537	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp46_AST_in = _t;
1538		match(_t,MEMBERS);
1539		_t = _t->getFirstChild();
1540		ivec=inttuple(_t);
1541		_t = _retTree;
1542	<	_t = __t56;
1542	>	_t = __t63;
1543		_t = _t->getNextSibling();
1544	<	#line 178 "MDTreeParser.g"
1544	>	#line 191 "MDTreeParser.g"
1545		currBendStamp->setMembers(ivec);
1546	<	#line 1388 "MDTreeParser.cpp"
1546	>	#line 1547 "MDTreeParser.cpp"
1547		break;
1548		}
1549	+	case HARMONIC:
1550	+	{
1551	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t64 = _t;
1552	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp47_AST_in = _t;
1553	+	match(_t,HARMONIC);
1554	+	_t = _t->getFirstChild();
1555	+	dvec=doubleNumberTuple(_t);
1556	+	_t = _retTree;
1557	+	_t = __t64;
1558	+	_t = _t->getNextSibling();
1559	+	#line 192 "MDTreeParser.g"
1560	+	currBendStamp->overrideType("Harmonic", dvec);
1561	+	#line 1562 "MDTreeParser.cpp"
1562	+	break;
1563	+	}
1564	+	case GHOSTBEND:
1565	+	{
1566	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t65 = _t;
1567	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST_in = _t;
1568	+	match(_t,GHOSTBEND);
1569	+	_t = _t->getFirstChild();
1570	+	dvec=doubleNumberTuple(_t);
1571	+	_t = _retTree;
1572	+	_t = __t65;
1573	+	_t = _t->getNextSibling();
1574	+	#line 193 "MDTreeParser.g"
1575	+	currBendStamp->overrideType("GhostBend", dvec);
1576	+	#line 1577 "MDTreeParser.cpp"
1577	+	break;
1578	+	}
1579	+	case UREYBRADLEY:
1580	+	{
1581	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t66 = _t;
1582	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST_in = _t;
1583	+	match(_t,UREYBRADLEY);
1584	+	_t = _t->getFirstChild();
1585	+	dvec=doubleNumberTuple(_t);
1586	+	_t = _retTree;
1587	+	_t = __t66;
1588	+	_t = _t->getNextSibling();
1589	+	#line 194 "MDTreeParser.g"
1590	+	currBendStamp->overrideType("UreyBradley", dvec);
1591	+	#line 1592 "MDTreeParser.cpp"
1592	+	break;
1593	+	}
1594	+	case CUBIC:
1595	+	{
1596	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t67 = _t;
1597	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp50_AST_in = _t;
1598	+	match(_t,CUBIC);
1599	+	_t = _t->getFirstChild();
1600	+	dvec=doubleNumberTuple(_t);
1601	+	_t = _retTree;
1602	+	_t = __t67;
1603	+	_t = _t->getNextSibling();
1604	+	#line 195 "MDTreeParser.g"
1605	+	currBendStamp->overrideType("Cubic", dvec);
1606	+	#line 1607 "MDTreeParser.cpp"
1607	+	break;
1608	+	}
1609	+	case QUARTIC:
1610	+	{
1611	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t68 = _t;
1612	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp51_AST_in = _t;
1613	+	match(_t,QUARTIC);
1614	+	_t = _t->getFirstChild();
1615	+	dvec=doubleNumberTuple(_t);
1616	+	_t = _retTree;
1617	+	_t = __t68;
1618	+	_t = _t->getNextSibling();
1619	+	#line 196 "MDTreeParser.g"
1620	+	currBendStamp->overrideType("Quartic", dvec);
1621	+	#line 1622 "MDTreeParser.cpp"
1622	+	break;
1623	+	}
1624	+	case POLYNOMIAL:
1625	+	{
1626	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t69 = _t;
1627	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp52_AST_in = _t;
1628	+	match(_t,POLYNOMIAL);
1629	+	_t = _t->getFirstChild();
1630	+	dvec=doubleNumberTuple(_t);
1631	+	_t = _retTree;
1632	+	_t = __t69;
1633	+	_t = _t->getNextSibling();
1634	+	#line 197 "MDTreeParser.g"
1635	+	currBendStamp->overrideType("Polynomial", dvec);
1636	+	#line 1637 "MDTreeParser.cpp"
1637	+	break;
1638	+	}
1639	+	case COSINE:
1640	+	{
1641	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t70 = _t;
1642	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST_in = _t;
1643	+	match(_t,COSINE);
1644	+	_t = _t->getFirstChild();
1645	+	dvec=doubleNumberTuple(_t);
1646	+	_t = _retTree;
1647	+	_t = __t70;
1648	+	_t = _t->getNextSibling();
1649	+	#line 198 "MDTreeParser.g"
1650	+	currBendStamp->overrideType("Cosine", dvec);
1651	+	#line 1652 "MDTreeParser.cpp"
1652	+	break;
1653	+	}
1654		default:
1655		{
1656		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);
#	Line 1403 | Line 1667 | void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPAC
1667
1668		void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1669		ANTLR_USE_NAMESPACE(antlr)RefAST torsionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1670	<	#line 191 "MDTreeParser.g"
1670	>	#line 211 "MDTreeParser.g"
1671
1672		vector<int> ivec;
1673	+	vector<RealType> dvec;
1674		TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top());
1675
1676	<	#line 1412 "MDTreeParser.cpp"
1676	>	#line 1677 "MDTreeParser.cpp"
1677
1678		try {      // for error handling
1679		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1422 | Line 1687 | void MDTreeParser::torsionstatement(ANTLR_USE_NAMESPAC
1687		}
1688		case MEMBERS:
1689		{
1690	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t62 = _t;
1691	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST_in = _t;
1690	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t76 = _t;
1691	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST_in = _t;
1692		match(_t,MEMBERS);
1693		_t = _t->getFirstChild();
1694		ivec=inttuple(_t);
1695		_t = _retTree;
1696	<	_t = __t62;
1696	>	_t = __t76;
1697		_t = _t->getNextSibling();
1698	<	#line 197 "MDTreeParser.g"
1698	>	#line 218 "MDTreeParser.g"
1699		currTorsionStamp->setMembers(ivec);
1700	<	#line 1436 "MDTreeParser.cpp"
1700	>	#line 1701 "MDTreeParser.cpp"
1701		break;
1702		}
1703	+	case GHOSTTORSION:
1704	+	{
1705	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t77 = _t;
1706	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp55_AST_in = _t;
1707	+	match(_t,GHOSTTORSION);
1708	+	_t = _t->getFirstChild();
1709	+	dvec=doubleNumberTuple(_t);
1710	+	_t = _retTree;
1711	+	_t = __t77;
1712	+	_t = _t->getNextSibling();
1713	+	#line 219 "MDTreeParser.g"
1714	+	currTorsionStamp->overrideType("GhostTorsion", dvec);
1715	+	#line 1716 "MDTreeParser.cpp"
1716	+	break;
1717	+	}
1718	+	case CUBIC:
1719	+	{
1720	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t78 = _t;
1721	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp56_AST_in = _t;
1722	+	match(_t,CUBIC);
1723	+	_t = _t->getFirstChild();
1724	+	dvec=doubleNumberTuple(_t);
1725	+	_t = _retTree;
1726	+	_t = __t78;
1727	+	_t = _t->getNextSibling();
1728	+	#line 220 "MDTreeParser.g"
1729	+	currTorsionStamp->overrideType("Cubic", dvec);
1730	+	#line 1731 "MDTreeParser.cpp"
1731	+	break;
1732	+	}
1733	+	case QUARTIC:
1734	+	{
1735	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t79 = _t;
1736	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp57_AST_in = _t;
1737	+	match(_t,QUARTIC);
1738	+	_t = _t->getFirstChild();
1739	+	dvec=doubleNumberTuple(_t);
1740	+	_t = _retTree;
1741	+	_t = __t79;
1742	+	_t = _t->getNextSibling();
1743	+	#line 221 "MDTreeParser.g"
1744	+	currTorsionStamp->overrideType("Quartic", dvec);
1745	+	#line 1746 "MDTreeParser.cpp"
1746	+	break;
1747	+	}
1748	+	case POLYNOMIAL:
1749	+	{
1750	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t80 = _t;
1751	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST_in = _t;
1752	+	match(_t,POLYNOMIAL);
1753	+	_t = _t->getFirstChild();
1754	+	dvec=doubleNumberTuple(_t);
1755	+	_t = _retTree;
1756	+	_t = __t80;
1757	+	_t = _t->getNextSibling();
1758	+	#line 222 "MDTreeParser.g"
1759	+	currTorsionStamp->overrideType("Polynomial", dvec);
1760	+	#line 1761 "MDTreeParser.cpp"
1761	+	break;
1762	+	}
1763	+	case CHARMM:
1764	+	{
1765	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t81 = _t;
1766	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp59_AST_in = _t;
1767	+	match(_t,CHARMM);
1768	+	_t = _t->getFirstChild();
1769	+	dvec=doubleNumberTuple(_t);
1770	+	_t = _retTree;
1771	+	_t = __t81;
1772	+	_t = _t->getNextSibling();
1773	+	#line 223 "MDTreeParser.g"
1774	+	currTorsionStamp->overrideType("Charmm", dvec);
1775	+	#line 1776 "MDTreeParser.cpp"
1776	+	break;
1777	+	}
1778	+	case OPLS:
1779	+	{
1780	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t82 = _t;
1781	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp60_AST_in = _t;
1782	+	match(_t,OPLS);
1783	+	_t = _t->getFirstChild();
1784	+	dvec=doubleNumberTuple(_t);
1785	+	_t = _retTree;
1786	+	_t = __t82;
1787	+	_t = _t->getNextSibling();
1788	+	#line 224 "MDTreeParser.g"
1789	+	currTorsionStamp->overrideType("Opls", dvec);
1790	+	#line 1791 "MDTreeParser.cpp"
1791	+	break;
1792	+	}
1793	+	case TRAPPE:
1794	+	{
1795	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t83 = _t;
1796	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp61_AST_in = _t;
1797	+	match(_t,TRAPPE);
1798	+	_t = _t->getFirstChild();
1799	+	dvec=doubleNumberTuple(_t);
1800	+	_t = _retTree;
1801	+	_t = __t83;
1802	+	_t = _t->getNextSibling();
1803	+	#line 225 "MDTreeParser.g"
1804	+	currTorsionStamp->overrideType("Trappe", dvec);
1805	+	#line 1806 "MDTreeParser.cpp"
1806	+	break;
1807	+	}
1808	+	case HARMONIC:
1809	+	{
1810	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t84 = _t;
1811	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp62_AST_in = _t;
1812	+	match(_t,HARMONIC);
1813	+	_t = _t->getFirstChild();
1814	+	dvec=doubleNumberTuple(_t);
1815	+	_t = _retTree;
1816	+	_t = __t84;
1817	+	_t = _t->getNextSibling();
1818	+	#line 226 "MDTreeParser.g"
1819	+	currTorsionStamp->overrideType("Harmonic", dvec);
1820	+	#line 1821 "MDTreeParser.cpp"
1821	+	break;
1822	+	}
1823		default:
1824		{
1825		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);
#	Line 1451 | Line 1836 | void MDTreeParser::inversionstatement(ANTLR_USE_NAMESP
1836
1837		void MDTreeParser::inversionstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1838		ANTLR_USE_NAMESPACE(antlr)RefAST inversionstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1839	<	#line 210 "MDTreeParser.g"
1839	>	#line 240 "MDTreeParser.g"
1840
1841		int icent;
1842		vector<int> ivec;
1843	+	vector<RealType> dvec;
1844		InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top());
1845
1846	<	#line 1461 "MDTreeParser.cpp"
1846	>	#line 1847 "MDTreeParser.cpp"
1847
1848		try {      // for error handling
1849		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1471 | Line 1857 | void MDTreeParser::inversionstatement(ANTLR_USE_NAMESP
1857		}
1858		case CENTER:
1859		{
1860	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t68 = _t;
1861	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp41_AST_in = _t;
1860	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t90 = _t;
1861	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST_in = _t;
1862		match(_t,CENTER);
1863		_t = _t->getFirstChild();
1864		icent=intConst(_t);
1865		_t = _retTree;
1866	<	_t = __t68;
1866	>	_t = __t90;
1867		_t = _t->getNextSibling();
1868	<	#line 217 "MDTreeParser.g"
1868	>	#line 248 "MDTreeParser.g"
1869		currInversionStamp->setCenter(icent);
1870	<	#line 1485 "MDTreeParser.cpp"
1870	>	#line 1871 "MDTreeParser.cpp"
1871		break;
1872		}
1873		case SATELLITES:
1874		{
1875	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t69 = _t;
1876	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST_in = _t;
1875	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t91 = _t;
1876	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp64_AST_in = _t;
1877		match(_t,SATELLITES);
1878		_t = _t->getFirstChild();
1879		ivec=inttuple(_t);
1880		_t = _retTree;
1881	<	_t = __t69;
1881	>	_t = __t91;
1882		_t = _t->getNextSibling();
1883	<	#line 218 "MDTreeParser.g"
1883	>	#line 249 "MDTreeParser.g"
1884		currInversionStamp->setSatellites(ivec);
1885	<	#line 1500 "MDTreeParser.cpp"
1885	>	#line 1886 "MDTreeParser.cpp"
1886		break;
1887		}
1888	+	case AMBERIMPROPER:
1889	+	{
1890	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t92 = _t;
1891	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp65_AST_in = _t;
1892	+	match(_t,AMBERIMPROPER);
1893	+	_t = _t->getFirstChild();
1894	+	dvec=doubleNumberTuple(_t);
1895	+	_t = _retTree;
1896	+	_t = __t92;
1897	+	_t = _t->getNextSibling();
1898	+	#line 250 "MDTreeParser.g"
1899	+	currInversionStamp->overrideType("AmberImproper", dvec);
1900	+	#line 1901 "MDTreeParser.cpp"
1901	+	break;
1902	+	}
1903	+	case IMPROPERCOSINE:
1904	+	{
1905	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t93 = _t;
1906	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp66_AST_in = _t;
1907	+	match(_t,IMPROPERCOSINE);
1908	+	_t = _t->getFirstChild();
1909	+	dvec=doubleNumberTuple(_t);
1910	+	_t = _retTree;
1911	+	_t = __t93;
1912	+	_t = _t->getNextSibling();
1913	+	#line 251 "MDTreeParser.g"
1914	+	currInversionStamp->overrideType("ImproperCosine", dvec);
1915	+	#line 1916 "MDTreeParser.cpp"
1916	+	break;
1917	+	}
1918	+	case HARMONIC:
1919	+	{
1920	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t94 = _t;
1921	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp67_AST_in = _t;
1922	+	match(_t,HARMONIC);
1923	+	_t = _t->getFirstChild();
1924	+	dvec=doubleNumberTuple(_t);
1925	+	_t = _retTree;
1926	+	_t = __t94;
1927	+	_t = _t->getNextSibling();
1928	+	#line 252 "MDTreeParser.g"
1929	+	currInversionStamp->overrideType("Harmonic", dvec);
1930	+	#line 1931 "MDTreeParser.cpp"
1931	+	break;
1932	+	}
1933	+	case CENTRALATOMHEIGHT:
1934	+	{
1935	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t95 = _t;
1936	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST_in = _t;
1937	+	match(_t,CENTRALATOMHEIGHT);
1938	+	_t = _t->getFirstChild();
1939	+	dvec=doubleNumberTuple(_t);
1940	+	_t = _retTree;
1941	+	_t = __t95;
1942	+	_t = _t->getNextSibling();
1943	+	#line 253 "MDTreeParser.g"
1944	+	currInversionStamp->overrideType("CentralAtomHeight", dvec);
1945	+	#line 1946 "MDTreeParser.cpp"
1946	+	break;
1947	+	}
1948	+	case DREIDING:
1949	+	{
1950	+	ANTLR_USE_NAMESPACE(antlr)RefAST __t96 = _t;
1951	+	ANTLR_USE_NAMESPACE(antlr)RefAST tmp69_AST_in = _t;
1952	+	match(_t,DREIDING);
1953	+	_t = _t->getFirstChild();
1954	+	dvec=doubleNumberTuple(_t);
1955	+	_t = _retTree;
1956	+	_t = __t96;
1957	+	_t = _t->getNextSibling();
1958	+	#line 254 "MDTreeParser.g"
1959	+	currInversionStamp->overrideType("Dreiding", dvec);
1960	+	#line 1961 "MDTreeParser.cpp"
1961	+	break;
1962	+	}
1963		default:
1964		{
1965		throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);
#	Line 1515 | Line 1976 | void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESP
1976
1977		void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1978		ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodystatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1979	<	#line 235 "MDTreeParser.g"
1979	>	#line 272 "MDTreeParser.g"
1980
1981		vector<int> ivec;
1982		RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top());
1983
1984	<	#line 1524 "MDTreeParser.cpp"
1984	>	#line 1985 "MDTreeParser.cpp"
1985
1986		try {      // for error handling
1987		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1534 | Line 1995 | void MDTreeParser::rigidbodystatement(ANTLR_USE_NAMESP
1995		}
1996		case MEMBERS:
1997		{
1998	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t75 = _t;
1999	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST_in = _t;
1998	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t102 = _t;
1999	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp70_AST_in = _t;
2000		match(_t,MEMBERS);
2001		_t = _t->getFirstChild();
2002		ivec=inttuple(_t);
2003		_t = _retTree;
2004	<	_t = __t75;
2004	>	_t = __t102;
2005		_t = _t->getNextSibling();
2006	<	#line 241 "MDTreeParser.g"
2006	>	#line 278 "MDTreeParser.g"
2007		currRigidBodyStamp->setMembers(ivec);
2008	<	#line 1548 "MDTreeParser.cpp"
2008	>	#line 2009 "MDTreeParser.cpp"
2009		break;
2010		}
2011		default:
#	Line 1563 | Line 2024 | void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAME
2024
2025		void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
2026		ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
2027	<	#line 254 "MDTreeParser.g"
2027	>	#line 291 "MDTreeParser.g"
2028
2029		vector<int> ivec;
2030		CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top());
2031
2032	<	#line 1572 "MDTreeParser.cpp"
2032	>	#line 2033 "MDTreeParser.cpp"
2033
2034		try {      // for error handling
2035		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1582 | Line 2043 | void MDTreeParser::cutoffgroupstatement(ANTLR_USE_NAME
2043		}
2044		case MEMBERS:
2045		{
2046	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t81 = _t;
2047	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST_in = _t;
2046	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t108 = _t;
2047	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp71_AST_in = _t;
2048		match(_t,MEMBERS);
2049		_t = _t->getFirstChild();
2050		ivec=inttuple(_t);
2051		_t = _retTree;
2052	<	_t = __t81;
2052	>	_t = __t108;
2053		_t = _t->getNextSibling();
2054	<	#line 260 "MDTreeParser.g"
2054	>	#line 297 "MDTreeParser.g"
2055		currCutoffGroupStamp->setMembers(ivec);
2056	<	#line 1596 "MDTreeParser.cpp"
2056	>	#line 2057 "MDTreeParser.cpp"
2057		break;
2058		}
2059		default:
#	Line 1626 | Line 2087 | void MDTreeParser::constraintstatement(ANTLR_USE_NAMES
2087
2088		void MDTreeParser::constraintstatement(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
2089		ANTLR_USE_NAMESPACE(antlr)RefAST constraintstatement_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
2090	<	#line 286 "MDTreeParser.g"
2090	>	#line 323 "MDTreeParser.g"
2091
2092		vector<int> ivec;
2093		ConstraintStamp* currConstraintStamp = static_cast<ConstraintStamp*>(blockStack.top());
2094
2095	<	#line 1635 "MDTreeParser.cpp"
2095	>	#line 2096 "MDTreeParser.cpp"
2096
2097		try {      // for error handling
2098		if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
#	Line 1645 | Line 2106 | void MDTreeParser::constraintstatement(ANTLR_USE_NAMES
2106		}
2107		case MEMBERS:
2108		{
2109	<	ANTLR_USE_NAMESPACE(antlr)RefAST __t92 = _t;
2110	<	ANTLR_USE_NAMESPACE(antlr)RefAST tmp45_AST_in = _t;
2109	>	ANTLR_USE_NAMESPACE(antlr)RefAST __t119 = _t;
2110	>	ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST_in = _t;
2111		match(_t,MEMBERS);
2112		_t = _t->getFirstChild();
2113		ivec=inttuple(_t);
2114		_t = _retTree;
2115	<	_t = __t92;
2115	>	_t = __t119;
2116		_t = _t->getNextSibling();
2117	<	#line 292 "MDTreeParser.g"
2117	>	#line 329 "MDTreeParser.g"
2118		currConstraintStamp->setMembers(ivec);
2119	<	#line 1659 "MDTreeParser.cpp"
2119	>	#line 2120 "MDTreeParser.cpp"
2120		break;
2121		}
2122		default:
#	Line 1672 | Line 2133 | void MDTreeParser::constraintstatement(ANTLR_USE_NAMES
2133		_retTree = _t;
2134		}
2135
1675	–	RealType  MDTreeParser::doubleNumber(ANTLR_USE_NAMESPACE(antlr)RefAST _t) {
1676	–	#line 318 "MDTreeParser.g"
1677	–	RealType dval;
1678	–	#line 1679 "MDTreeParser.cpp"
1679	–	ANTLR_USE_NAMESPACE(antlr)RefAST doubleNumber_AST_in = (_t == ANTLR_USE_NAMESPACE(antlr)RefAST(ASTNULL)) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1680	–	ANTLR_USE_NAMESPACE(antlr)RefAST ic = ANTLR_USE_NAMESPACE(antlr)nullAST;
1681	–	ANTLR_USE_NAMESPACE(antlr)RefAST fc = ANTLR_USE_NAMESPACE(antlr)nullAST;
1682	–
1683	–	try {      // for error handling
1684	–	if (_t == ANTLR_USE_NAMESPACE(antlr)nullAST )
1685	–	_t = ASTNULL;
1686	–	switch ( _t->getType()) {
1687	–	case NUM_INT:
1688	–	case NUM_LONG:
1689	–	{
1690	–	ic = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1691	–	intConst(_t);
1692	–	_t = _retTree;
1693	–	#line 319 "MDTreeParser.g"
1694	–	dval = lexi_cast<RealType>(ic->getText());
1695	–	#line 1696 "MDTreeParser.cpp"
1696	–	break;
1697	–	}
1698	–	case NUM_FLOAT:
1699	–	case NUM_DOUBLE:
1700	–	{
1701	–	fc = (_t == ASTNULL) ? ANTLR_USE_NAMESPACE(antlr)nullAST : _t;
1702	–	floatConst(_t);
1703	–	_t = _retTree;
1704	–	#line 320 "MDTreeParser.g"
1705	–	dval = lexi_cast<RealType>(fc->getText());
1706	–	#line 1707 "MDTreeParser.cpp"
1707	–	break;
1708	–	}
1709	–	default:
1710	–	{
1711	–	throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(_t);
1712	–	}
1713	–	}
1714	–	}
1715	–	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
1716	–	reportError(ex);
1717	–	if ( _t != ANTLR_USE_NAMESPACE(antlr)nullAST )
1718	–	_t = _t->getNextSibling();
1719	–	}
1720	–	_retTree = _t;
1721	–	return dval;
1722	–	}
1723	–
2136		void MDTreeParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& )
2137		{
2138		}
#	Line 1751 | Line 2163 | const char* MDTreeParser::tokenNames[] = {
2163		"\"flucQ\"",
2164		"\"RNEMD\"",
2165		"\"minimizer\"",
2166	+	"\"Fixed\"",
2167	+	"\"Harmonic\"",
2168	+	"\"Cubic\"",
2169	+	"\"Quartic\"",
2170	+	"\"Polynomial\"",
2171	+	"\"Morse\"",
2172	+	"\"GhostBend\"",
2173	+	"\"UreyBradley\"",
2174	+	"\"Cosine\"",
2175	+	"\"GhostTorsion\"",
2176	+	"\"Charmm\"",
2177	+	"\"Opls\"",
2178	+	"\"Trappe\"",
2179	+	"\"AmberImproper\"",
2180	+	"\"ImproperCosine\"",
2181	+	"\"CentralAtomHeight\"",
2182	+	"\"Dreiding\"",
2183	+	"\"charge\"",
2184		"ENDBLOCK",
2185		"ID",
2186		"ASSIGNEQUAL",
#	Line 1788 | Line 2218 | const char* MDTreeParser::tokenNames[] = {
2218		0
2219		};
2220
2221	<	const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 327155952UL, 0UL, 0UL, 0UL };
2221	>	const unsigned long MDTreeParser::_tokenSet_0_data_[] = { 58720496UL, 16384UL, 0UL, 0UL };
2222		// "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer"
2223		// ASSIGNEQUAL
2224		const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_0(_tokenSet_0_data_,4);
2225	<	const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 268631808UL, 0UL, 0UL, 0UL };
2225	>	const unsigned long MDTreeParser::_tokenSet_1_data_[] = { 196352UL, 16384UL, 0UL, 0UL };
2226		// "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup"
2227		// "constraint" "fragment" ASSIGNEQUAL
2228		const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_1(_tokenSet_1_data_,4);
2229	+	const unsigned long MDTreeParser::_tokenSet_2_data_[] = { 6291456UL, 18432UL, 0UL, 0UL };
2230	+	// "position" "orientation" "charge" ASSIGNEQUAL
2231	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_2(_tokenSet_2_data_,4);
2232	+	const unsigned long MDTreeParser::_tokenSet_3_data_[] = { 4228120576UL, 16384UL, 0UL, 0UL };
2233	+	// "members" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse"
2234	+	// ASSIGNEQUAL
2235	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_3(_tokenSet_3_data_,4);
2236	+	const unsigned long MDTreeParser::_tokenSet_4_data_[] = { 2013528064UL, 16391UL, 0UL, 0UL };
2237	+	// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostBend" "UreyBradley"
2238	+	// "Cosine" ASSIGNEQUAL
2239	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_4(_tokenSet_4_data_,4);
2240	+	const unsigned long MDTreeParser::_tokenSet_5_data_[] = { 2013528064UL, 16504UL, 0UL, 0UL };
2241	+	// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostTorsion" "Charmm"
2242	+	// "Opls" "Trappe" ASSIGNEQUAL
2243	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_5(_tokenSet_5_data_,4);
2244	+	const unsigned long MDTreeParser::_tokenSet_6_data_[] = { 135790592UL, 18304UL, 0UL, 0UL };
2245	+	// "center" "satellites" "Harmonic" "AmberImproper" "ImproperCosine" "CentralAtomHeight"
2246	+	// "Dreiding" ASSIGNEQUAL
2247	+	const ANTLR_USE_NAMESPACE(antlr)BitSet MDTreeParser::_tokenSet_6(_tokenSet_6_data_,4);
2248
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