--- trunk/src/mdParser/MDParser.cpp 2014/04/05 20:56:01 1979 +++ trunk/src/mdParser/MDParser.cpp 2014/12/02 22:11:04 2046 @@ -1,4 +1,4 @@ -/* $ANTLR 2.7.7 (20140107): "MDParser.g" -> "MDParser.cpp"$ */ +/* $ANTLR 2.7.7 (20141024): "MDParser.g" -> "MDParser.cpp"$ */ #include "MDParser.hpp" #include #include @@ -188,7 +188,7 @@ void MDParser::componentblock() { tmp6_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp6_AST); match(RCURLY); -#line 77 "MDParser.g" +#line 95 "MDParser.g" tmp6_AST->setType(ENDBLOCK); #line 194 "MDParser.cpp" componentblock_AST = currentAST.root; @@ -228,7 +228,7 @@ void MDParser::moleculeblock() { tmp9_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp9_AST); match(RCURLY); -#line 95 "MDParser.g" +#line 113 "MDParser.g" tmp9_AST->setType(ENDBLOCK); #line 234 "MDParser.cpp" moleculeblock_AST = currentAST.root; @@ -268,7 +268,7 @@ void MDParser::zconstraintblock() { tmp12_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp12_AST); match(RCURLY); -#line 80 "MDParser.g" +#line 98 "MDParser.g" tmp12_AST->setType(ENDBLOCK); #line 274 "MDParser.cpp" zconstraintblock_AST = currentAST.root; @@ -308,7 +308,7 @@ void MDParser::restraintblock() { tmp15_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp15_AST); match(RCURLY); -#line 83 "MDParser.g" +#line 101 "MDParser.g" tmp15_AST->setType(ENDBLOCK); #line 314 "MDParser.cpp" restraintblock_AST = currentAST.root; @@ -348,7 +348,7 @@ void MDParser::flucqblock() { tmp18_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp18_AST); match(RCURLY); -#line 86 "MDParser.g" +#line 104 "MDParser.g" tmp18_AST->setType(ENDBLOCK); #line 354 "MDParser.cpp" flucqblock_AST = currentAST.root; @@ -388,7 +388,7 @@ void MDParser::rnemdblock() { tmp21_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp21_AST); match(RCURLY); -#line 89 "MDParser.g" +#line 107 "MDParser.g" tmp21_AST->setType(ENDBLOCK); #line 394 "MDParser.cpp" rnemdblock_AST = currentAST.root; @@ -428,7 +428,7 @@ void MDParser::minimizerblock() { tmp24_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp24_AST); match(RCURLY); -#line 92 "MDParser.g" +#line 110 "MDParser.g" tmp24_AST->setType(ENDBLOCK); #line 434 "MDParser.cpp" minimizerblock_AST = currentAST.root; @@ -587,23 +587,11 @@ void MDParser::vectorConst() { tmp31_AST = astFactory->create(LT(1)); astFactory->makeASTRoot(currentAST, tmp31_AST); match(LPAREN); - doubleNumber(); + doubleNumberTuple(); astFactory->addASTChild( currentAST, returnAST ); ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; tmp32_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp32_AST); - match(COMMA); - doubleNumber(); - astFactory->addASTChild( currentAST, returnAST ); - ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp33_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp33_AST); - match(COMMA); - doubleNumber(); - astFactory->addASTChild( currentAST, returnAST ); - ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp34_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp34_AST); match(RPAREN); vectorConst_AST = currentAST.root; } @@ -710,9 +698,9 @@ void MDParser::atomblock() { ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp35_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp35_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp35_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp33_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp33_AST); match(ATOM); match(LBRACKET); intConst(); @@ -732,13 +720,13 @@ void MDParser::atomblock() { } _loop31:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp39_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp39_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp37_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp37_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp37_AST); match(RCURLY); -#line 110 "MDParser.g" - tmp39_AST->setType(ENDBLOCK); -#line 742 "MDParser.cpp" +#line 128 "MDParser.g" + tmp37_AST->setType(ENDBLOCK); +#line 730 "MDParser.cpp" atomblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -754,9 +742,9 @@ void MDParser::bondblock() { ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp40_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp40_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp38_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp38_AST); match(BOND); { switch ( LA(1)) { @@ -780,7 +768,7 @@ void MDParser::bondblock() { match(LCURLY); { // ( ... )* for (;;) { - if ((LA(1) == MEMBERS || LA(1) == ID)) { + if ((_tokenSet_10.member(LA(1)))) { bondstatement(); astFactory->addASTChild( currentAST, returnAST ); } @@ -791,13 +779,13 @@ void MDParser::bondblock() { } _loop36:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp44_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp44_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp42_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp42_AST); match(RCURLY); -#line 119 "MDParser.g" - tmp44_AST->setType(ENDBLOCK); -#line 801 "MDParser.cpp" +#line 138 "MDParser.g" + tmp42_AST->setType(ENDBLOCK); +#line 789 "MDParser.cpp" bondblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -813,9 +801,9 @@ void MDParser::bendblock() { ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp45_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp45_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp45_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp43_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp43_AST); match(BEND); { switch ( LA(1)) { @@ -839,7 +827,7 @@ void MDParser::bendblock() { match(LCURLY); { // ( ... )* for (;;) { - if ((LA(1) == MEMBERS || LA(1) == ID)) { + if ((_tokenSet_11.member(LA(1)))) { bendstatement(); astFactory->addASTChild( currentAST, returnAST ); } @@ -850,13 +838,13 @@ void MDParser::bendblock() { } _loop41:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp49_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp49_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp47_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp47_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp47_AST); match(RCURLY); -#line 126 "MDParser.g" - tmp49_AST->setType(ENDBLOCK); -#line 860 "MDParser.cpp" +#line 151 "MDParser.g" + tmp47_AST->setType(ENDBLOCK); +#line 848 "MDParser.cpp" bendblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -872,9 +860,9 @@ void MDParser::torsionblock() { ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp50_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp50_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp50_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp48_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp48_AST); match(TORSION); { switch ( LA(1)) { @@ -898,7 +886,7 @@ void MDParser::torsionblock() { match(LCURLY); { // ( ... )* for (;;) { - if ((LA(1) == MEMBERS || LA(1) == ID)) { + if ((_tokenSet_12.member(LA(1)))) { torsionstatement(); astFactory->addASTChild( currentAST, returnAST ); } @@ -909,13 +897,13 @@ void MDParser::torsionblock() { } _loop46:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp54_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp54_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp52_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp52_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp52_AST); match(RCURLY); -#line 133 "MDParser.g" - tmp54_AST->setType(ENDBLOCK); -#line 919 "MDParser.cpp" +#line 165 "MDParser.g" + tmp52_AST->setType(ENDBLOCK); +#line 907 "MDParser.cpp" torsionblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -931,9 +919,9 @@ void MDParser::inversionblock() { ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp55_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp55_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp55_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp53_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp53_AST); match(INVERSION); { switch ( LA(1)) { @@ -957,7 +945,7 @@ void MDParser::inversionblock() { match(LCURLY); { // ( ... )* for (;;) { - if ((_tokenSet_10.member(LA(1)))) { + if ((_tokenSet_13.member(LA(1)))) { inversionstatement(); astFactory->addASTChild( currentAST, returnAST ); } @@ -968,13 +956,13 @@ void MDParser::inversionblock() { } _loop51:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp59_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp59_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp59_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp57_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp57_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp57_AST); match(RCURLY); -#line 140 "MDParser.g" - tmp59_AST->setType(ENDBLOCK); -#line 978 "MDParser.cpp" +#line 180 "MDParser.g" + tmp57_AST->setType(ENDBLOCK); +#line 966 "MDParser.cpp" inversionblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -990,9 +978,9 @@ void MDParser::rigidbodyblock() { ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp60_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp60_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp60_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp58_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp58_AST); match(RIGIDBODY); match(LBRACKET); intConst(); @@ -1012,13 +1000,13 @@ void MDParser::rigidbodyblock() { } _loop55:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp64_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp64_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp64_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp62_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp62_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp62_AST); match(RCURLY); -#line 148 "MDParser.g" - tmp64_AST->setType(ENDBLOCK); -#line 1022 "MDParser.cpp" +#line 193 "MDParser.g" + tmp62_AST->setType(ENDBLOCK); +#line 1010 "MDParser.cpp" rigidbodyblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -1034,9 +1022,9 @@ void MDParser::cutoffgroupblock() { ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp65_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp65_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp65_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp63_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp63_AST); match(CUTOFFGROUP); { switch ( LA(1)) { @@ -1071,13 +1059,13 @@ void MDParser::cutoffgroupblock() { } _loop60:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp69_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp69_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp69_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp67_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp67_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp67_AST); match(RCURLY); -#line 155 "MDParser.g" - tmp69_AST->setType(ENDBLOCK); -#line 1081 "MDParser.cpp" +#line 200 "MDParser.g" + tmp67_AST->setType(ENDBLOCK); +#line 1069 "MDParser.cpp" cutoffgroupblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -1093,9 +1081,9 @@ void MDParser::fragmentblock() { ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp70_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp70_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp70_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp68_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp68_AST); match(FRAGMENT); match(LBRACKET); intConst(); @@ -1115,13 +1103,13 @@ void MDParser::fragmentblock() { } _loop64:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp74_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp74_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp74_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp72_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp72_AST); match(RCURLY); -#line 162 "MDParser.g" - tmp74_AST->setType(ENDBLOCK); -#line 1125 "MDParser.cpp" +#line 207 "MDParser.g" + tmp72_AST->setType(ENDBLOCK); +#line 1113 "MDParser.cpp" fragmentblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -1137,9 +1125,9 @@ void MDParser::constraintblock() { ANTLR_USE_NAMESPACE(antlr)RefAST constraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp75_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp75_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp75_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp73_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp73_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp73_AST); match(CONSTRAINT); { switch ( LA(1)) { @@ -1174,13 +1162,13 @@ void MDParser::constraintblock() { } _loop69:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp79_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp79_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp79_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp77_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp77_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp77_AST); match(RCURLY); -#line 168 "MDParser.g" - tmp79_AST->setType(ENDBLOCK); -#line 1184 "MDParser.cpp" +#line 213 "MDParser.g" + tmp77_AST->setType(ENDBLOCK); +#line 1172 "MDParser.cpp" constraintblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -1206,9 +1194,9 @@ void MDParser::atomstatement() { } case POSITION: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp80_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp80_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp78_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp78_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp78_AST); match(POSITION); match(LPAREN); doubleNumberTuple(); @@ -1220,9 +1208,9 @@ void MDParser::atomstatement() { } case ORIENTATION: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp84_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp84_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp84_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp82_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp82_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp82_AST); match(ORIENTATION); match(LPAREN); doubleNumberTuple(); @@ -1232,6 +1220,20 @@ void MDParser::atomstatement() { atomstatement_AST = currentAST.root; break; } + case CHARGE: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp86_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp86_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp86_AST); + match(CHARGE); + match(LPAREN); + floatConst(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + atomstatement_AST = currentAST.root; + break; + } default: { throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); @@ -1240,7 +1242,7 @@ void MDParser::atomstatement() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_11); + recover(ex,_tokenSet_14); } returnAST = atomstatement_AST; } @@ -1271,7 +1273,7 @@ void MDParser::doubleNumberTuple() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_12); + recover(ex,_tokenSet_15); } returnAST = doubleNumberTuple_AST; } @@ -1292,18 +1294,102 @@ void MDParser::bondstatement() { } case MEMBERS: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp89_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp89_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp89_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp91_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp91_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp91_AST); match(MEMBERS); match(LPAREN); inttuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bondstatement_AST = currentAST.root; + break; + } + case FIXED: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp95_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp95_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp95_AST); + match(FIXED); + match(LPAREN); + floatConst(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bondstatement_AST = currentAST.root; + break; + } + case HARMONIC: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp99_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp99_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp99_AST); + match(HARMONIC); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bondstatement_AST = currentAST.root; + break; + } + case CUBIC: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp103_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp103_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp103_AST); + match(CUBIC); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bondstatement_AST = currentAST.root; + break; + } + case QUARTIC: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp107_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp107_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp107_AST); + match(QUARTIC); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bondstatement_AST = currentAST.root; + break; + } + case POLYNOMIAL: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp111_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp111_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp111_AST); + match(POLYNOMIAL); + match(LPAREN); + doubleNumberTuple(); astFactory->addASTChild( currentAST, returnAST ); match(RPAREN); match(SEMICOLON); bondstatement_AST = currentAST.root; break; } + case MORSE: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp115_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp115_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp115_AST); + match(MORSE); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bondstatement_AST = currentAST.root; + break; + } default: { throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); @@ -1312,7 +1398,7 @@ void MDParser::bondstatement() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_13); + recover(ex,_tokenSet_16); } returnAST = bondstatement_AST; } @@ -1343,7 +1429,7 @@ void MDParser::inttuple() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_12); + recover(ex,_tokenSet_15); } returnAST = inttuple_AST; } @@ -1364,9 +1450,9 @@ void MDParser::bendstatement() { } case MEMBERS: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp94_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp94_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp94_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp120_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp120_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp120_AST); match(MEMBERS); match(LPAREN); inttuple(); @@ -1376,6 +1462,104 @@ void MDParser::bendstatement() { bendstatement_AST = currentAST.root; break; } + case HARMONIC: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp124_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp124_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp124_AST); + match(HARMONIC); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bendstatement_AST = currentAST.root; + break; + } + case GHOSTBEND: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp128_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp128_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp128_AST); + match(GHOSTBEND); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bendstatement_AST = currentAST.root; + break; + } + case UREYBRADLEY: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp132_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp132_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp132_AST); + match(UREYBRADLEY); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bendstatement_AST = currentAST.root; + break; + } + case CUBIC: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp136_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp136_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp136_AST); + match(CUBIC); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bendstatement_AST = currentAST.root; + break; + } + case QUARTIC: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp140_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp140_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp140_AST); + match(QUARTIC); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bendstatement_AST = currentAST.root; + break; + } + case POLYNOMIAL: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp144_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp144_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp144_AST); + match(POLYNOMIAL); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bendstatement_AST = currentAST.root; + break; + } + case COSINE: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp148_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp148_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp148_AST); + match(COSINE); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + bendstatement_AST = currentAST.root; + break; + } default: { throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); @@ -1384,7 +1568,7 @@ void MDParser::bendstatement() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_13); + recover(ex,_tokenSet_17); } returnAST = bendstatement_AST; } @@ -1405,9 +1589,9 @@ void MDParser::torsionstatement() { } case MEMBERS: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp98_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp98_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp98_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp152_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp152_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp152_AST); match(MEMBERS); match(LPAREN); inttuple(); @@ -1417,6 +1601,118 @@ void MDParser::torsionstatement() { torsionstatement_AST = currentAST.root; break; } + case GHOSTTORSION: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp156_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp156_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp156_AST); + match(GHOSTTORSION); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + torsionstatement_AST = currentAST.root; + break; + } + case CUBIC: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp160_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp160_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp160_AST); + match(CUBIC); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + torsionstatement_AST = currentAST.root; + break; + } + case QUARTIC: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp164_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp164_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp164_AST); + match(QUARTIC); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + torsionstatement_AST = currentAST.root; + break; + } + case POLYNOMIAL: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp168_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp168_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp168_AST); + match(POLYNOMIAL); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + torsionstatement_AST = currentAST.root; + break; + } + case CHARMM: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp172_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp172_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp172_AST); + match(CHARMM); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + torsionstatement_AST = currentAST.root; + break; + } + case OPLS: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp176_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp176_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp176_AST); + match(OPLS); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + torsionstatement_AST = currentAST.root; + break; + } + case TRAPPE: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp180_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp180_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp180_AST); + match(TRAPPE); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + torsionstatement_AST = currentAST.root; + break; + } + case HARMONIC: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp184_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp184_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp184_AST); + match(HARMONIC); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + torsionstatement_AST = currentAST.root; + break; + } default: { throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); @@ -1425,7 +1721,7 @@ void MDParser::torsionstatement() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_13); + recover(ex,_tokenSet_18); } returnAST = torsionstatement_AST; } @@ -1446,9 +1742,9 @@ void MDParser::inversionstatement() { } case CENTER: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp102_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp102_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp102_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp188_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp188_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp188_AST); match(CENTER); match(LPAREN); intConst(); @@ -1460,9 +1756,9 @@ void MDParser::inversionstatement() { } case SATELLITES: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp106_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp106_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp106_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp192_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp192_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp192_AST); match(SATELLITES); match(LPAREN); inttuple(); @@ -1472,6 +1768,76 @@ void MDParser::inversionstatement() { inversionstatement_AST = currentAST.root; break; } + case AMBERIMPROPER: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp196_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp196_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp196_AST); + match(AMBERIMPROPER); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + inversionstatement_AST = currentAST.root; + break; + } + case IMPROPERCOSINE: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp200_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp200_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp200_AST); + match(IMPROPERCOSINE); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + inversionstatement_AST = currentAST.root; + break; + } + case HARMONIC: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp204_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp204_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp204_AST); + match(HARMONIC); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + inversionstatement_AST = currentAST.root; + break; + } + case CENTRALATOMHEIGHT: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp208_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp208_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp208_AST); + match(CENTRALATOMHEIGHT); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + inversionstatement_AST = currentAST.root; + break; + } + case DREIDING: + { + ANTLR_USE_NAMESPACE(antlr)RefAST tmp212_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp212_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp212_AST); + match(DREIDING); + match(LPAREN); + doubleNumberTuple(); + astFactory->addASTChild( currentAST, returnAST ); + match(RPAREN); + match(SEMICOLON); + inversionstatement_AST = currentAST.root; + break; + } default: { throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); @@ -1480,7 +1846,7 @@ void MDParser::inversionstatement() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_14); + recover(ex,_tokenSet_19); } returnAST = inversionstatement_AST; } @@ -1501,9 +1867,9 @@ void MDParser::rigidbodystatement() { } case MEMBERS: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp110_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp110_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp110_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp216_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp216_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp216_AST); match(MEMBERS); match(LPAREN); inttuple(); @@ -1521,7 +1887,7 @@ void MDParser::rigidbodystatement() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_13); + recover(ex,_tokenSet_20); } returnAST = rigidbodystatement_AST; } @@ -1542,9 +1908,9 @@ void MDParser::cutoffgroupstatement() { } case MEMBERS: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp114_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp114_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp114_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp220_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp220_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp220_AST); match(MEMBERS); match(LPAREN); inttuple(); @@ -1562,7 +1928,7 @@ void MDParser::cutoffgroupstatement() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_13); + recover(ex,_tokenSet_20); } returnAST = cutoffgroupstatement_AST; } @@ -1579,7 +1945,7 @@ void MDParser::fragmentstatement() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_15); + recover(ex,_tokenSet_21); } returnAST = fragmentstatement_AST; } @@ -1600,9 +1966,9 @@ void MDParser::constraintstatement() { } case MEMBERS: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp118_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp118_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp118_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp224_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp224_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp224_AST); match(MEMBERS); match(LPAREN); inttuple(); @@ -1620,7 +1986,7 @@ void MDParser::constraintstatement() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_13); + recover(ex,_tokenSet_20); } returnAST = constraintstatement_AST; } @@ -1657,14 +2023,14 @@ void MDParser::doubleNumber() { } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { reportError(ex); - recover(ex,_tokenSet_16); + recover(ex,_tokenSet_22); } returnAST = doubleNumber_AST; } void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) { - factory.setMaxNodeType(59); + factory.setMaxNodeType(77); } const char* MDParser::tokenNames[] = { "<0>", @@ -1693,6 +2059,24 @@ const char* MDParser::tokenNames[] = { "\"flucQ\"", "\"RNEMD\"", "\"minimizer\"", + "\"Fixed\"", + "\"Harmonic\"", + "\"Cubic\"", + "\"Quartic\"", + "\"Polynomial\"", + "\"Morse\"", + "\"GhostBend\"", + "\"UreyBradley\"", + "\"Cosine\"", + "\"GhostTorsion\"", + "\"Charmm\"", + "\"Opls\"", + "\"Trappe\"", + "\"AmberImproper\"", + "\"ImproperCosine\"", + "\"CentralAtomHeight\"", + "\"Dreiding\"", + "\"charge\"", "ENDBLOCK", "ID", "ASSIGNEQUAL", @@ -1730,63 +2114,92 @@ const char* MDParser::tokenNames[] = { 0 }; -const unsigned long MDParser::_tokenSet_0_data_[] = { 192938224UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_0_data_[] = { 58720496UL, 8192UL, 0UL, 0UL }; // "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer" // ID const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4); const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL }; // EOF const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4); -const unsigned long MDParser::_tokenSet_2_data_[] = { 192938226UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_2_data_[] = { 58720498UL, 8192UL, 0UL, 0UL }; // EOF "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" // "minimizer" ID const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4); -const unsigned long MDParser::_tokenSet_3_data_[] = { 201261042UL, 1UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_3_data_[] = { 4294901746UL, 274431UL, 0UL, 0UL }; // EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend" // "torsion" "inversion" "rigidBody" "cutoffGroup" "constraint" "fragment" // "members" "center" "satellites" "position" "orientation" "flucQ" "RNEMD" -// "minimizer" ID RCURLY +// "minimizer" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse" +// "GhostBend" "UreyBradley" "Cosine" "GhostTorsion" "Charmm" "Opls" "Trappe" +// "AmberImproper" "ImproperCosine" "CentralAtomHeight" "Dreiding" "charge" +// ID RCURLY const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4); -const unsigned long MDParser::_tokenSet_4_data_[] = { 134414080UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_4_data_[] = { 196352UL, 8192UL, 0UL, 0UL }; // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" // "constraint" "fragment" ID const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4); -const unsigned long MDParser::_tokenSet_5_data_[] = { 536870912UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_5_data_[] = { 0UL, 32768UL, 0UL, 0UL }; // SEMICOLON const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4); -const unsigned long MDParser::_tokenSet_6_data_[] = { 536870912UL, 52UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_6_data_[] = { 0UL, 13664256UL, 0UL, 0UL }; // SEMICOLON RBRACKET RPAREN COMMA const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4); -const unsigned long MDParser::_tokenSet_7_data_[] = { 536870912UL, 48UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_7_data_[] = { 0UL, 12615680UL, 0UL, 0UL }; // SEMICOLON RPAREN COMMA const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4); -const unsigned long MDParser::_tokenSet_8_data_[] = { 134414080UL, 1UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_8_data_[] = { 196352UL, 270336UL, 0UL, 0UL }; // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" // "constraint" "fragment" ID RCURLY const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4); -const unsigned long MDParser::_tokenSet_9_data_[] = { 140509184UL, 0UL, 0UL, 0UL }; -// "position" "orientation" ID +const unsigned long MDParser::_tokenSet_9_data_[] = { 6291456UL, 10240UL, 0UL, 0UL }; +// "position" "orientation" "charge" ID const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4); -const unsigned long MDParser::_tokenSet_10_data_[] = { 135790592UL, 0UL, 0UL, 0UL }; -// "center" "satellites" ID +const unsigned long MDParser::_tokenSet_10_data_[] = { 4228120576UL, 8192UL, 0UL, 0UL }; +// "members" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse" +// ID const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4); -const unsigned long MDParser::_tokenSet_11_data_[] = { 140509184UL, 1UL, 0UL, 0UL }; -// "position" "orientation" ID RCURLY +const unsigned long MDParser::_tokenSet_11_data_[] = { 2013528064UL, 8199UL, 0UL, 0UL }; +// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostBend" "UreyBradley" +// "Cosine" ID const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4); -const unsigned long MDParser::_tokenSet_12_data_[] = { 0UL, 16UL, 0UL, 0UL }; -// RPAREN +const unsigned long MDParser::_tokenSet_12_data_[] = { 2013528064UL, 8312UL, 0UL, 0UL }; +// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostTorsion" "Charmm" +// "Opls" "Trappe" ID const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4); -const unsigned long MDParser::_tokenSet_13_data_[] = { 134479872UL, 1UL, 0UL, 0UL }; -// "members" ID RCURLY +const unsigned long MDParser::_tokenSet_13_data_[] = { 135790592UL, 10112UL, 0UL, 0UL }; +// "center" "satellites" "Harmonic" "AmberImproper" "ImproperCosine" "CentralAtomHeight" +// "Dreiding" ID const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4); -const unsigned long MDParser::_tokenSet_14_data_[] = { 135790592UL, 1UL, 0UL, 0UL }; -// "center" "satellites" ID RCURLY +const unsigned long MDParser::_tokenSet_14_data_[] = { 6291456UL, 272384UL, 0UL, 0UL }; +// "position" "orientation" "charge" ID RCURLY const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4); -const unsigned long MDParser::_tokenSet_15_data_[] = { 134217728UL, 1UL, 0UL, 0UL }; -// ID RCURLY +const unsigned long MDParser::_tokenSet_15_data_[] = { 0UL, 4194304UL, 0UL, 0UL }; +// RPAREN const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4); -const unsigned long MDParser::_tokenSet_16_data_[] = { 0UL, 48UL, 0UL, 0UL }; -// RPAREN COMMA +const unsigned long MDParser::_tokenSet_16_data_[] = { 4228120576UL, 270336UL, 0UL, 0UL }; +// "members" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse" +// ID RCURLY const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_16(_tokenSet_16_data_,4); +const unsigned long MDParser::_tokenSet_17_data_[] = { 2013528064UL, 270343UL, 0UL, 0UL }; +// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostBend" "UreyBradley" +// "Cosine" ID RCURLY +const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_17(_tokenSet_17_data_,4); +const unsigned long MDParser::_tokenSet_18_data_[] = { 2013528064UL, 270456UL, 0UL, 0UL }; +// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostTorsion" "Charmm" +// "Opls" "Trappe" ID RCURLY +const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_18(_tokenSet_18_data_,4); +const unsigned long MDParser::_tokenSet_19_data_[] = { 135790592UL, 272256UL, 0UL, 0UL }; +// "center" "satellites" "Harmonic" "AmberImproper" "ImproperCosine" "CentralAtomHeight" +// "Dreiding" ID RCURLY +const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_19(_tokenSet_19_data_,4); +const unsigned long MDParser::_tokenSet_20_data_[] = { 262144UL, 270336UL, 0UL, 0UL }; +// "members" ID RCURLY +const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_20(_tokenSet_20_data_,4); +const unsigned long MDParser::_tokenSet_21_data_[] = { 0UL, 270336UL, 0UL, 0UL }; +// ID RCURLY +const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_21(_tokenSet_21_data_,4); +const unsigned long MDParser::_tokenSet_22_data_[] = { 0UL, 12582912UL, 0UL, 0UL }; +// RPAREN COMMA +const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_22(_tokenSet_22_data_,4);