--- trunk/src/mdParser/MDParser.cpp 2008/07/14 12:35:58 1277 +++ branches/development/src/mdParser/MDParser.cpp 2012/08/09 15:52:59 1776 @@ -1,4 +1,4 @@ -/* $ANTLR 2.7.7 (20080702): "MDParser.g" -> "MDParser.cpp"$ */ +/* $ANTLR 2.7.7 (20120725): "MDParser.g" -> "MDParser.cpp"$ */ #include "MDParser.hpp" #include #include @@ -93,6 +93,34 @@ void MDParser::statement() { statement_AST = currentAST.root; break; } + case RESTRAINT: + { + restraintblock(); + astFactory->addASTChild( currentAST, returnAST ); + statement_AST = currentAST.root; + break; + } + case FLUCQ: + { + flucqblock(); + astFactory->addASTChild( currentAST, returnAST ); + statement_AST = currentAST.root; + break; + } + case RNEMD: + { + rnemdblock(); + astFactory->addASTChild( currentAST, returnAST ); + statement_AST = currentAST.root; + break; + } + case MINIMIZER: + { + minimizerblock(); + astFactory->addASTChild( currentAST, returnAST ); + statement_AST = currentAST.root; + break; + } default: { throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename()); @@ -160,9 +188,9 @@ void MDParser::componentblock() { tmp6_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp6_AST); match(RCURLY); -#line 65 "MDParser.g" +#line 74 "MDParser.g" tmp6_AST->setType(ENDBLOCK); -#line 166 "MDParser.cpp" +#line 194 "MDParser.cpp" componentblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -190,19 +218,19 @@ void MDParser::moleculeblock() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop15; + goto _loop27; } } - _loop15:; + _loop27:; } // ( ... )* ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; tmp9_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp9_AST); match(RCURLY); -#line 71 "MDParser.g" +#line 92 "MDParser.g" tmp9_AST->setType(ENDBLOCK); -#line 206 "MDParser.cpp" +#line 234 "MDParser.cpp" moleculeblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -240,9 +268,9 @@ void MDParser::zconstraintblock() { tmp12_AST = astFactory->create(LT(1)); astFactory->addASTChild(currentAST, tmp12_AST); match(RCURLY); -#line 68 "MDParser.g" +#line 77 "MDParser.g" tmp12_AST->setType(ENDBLOCK); -#line 246 "MDParser.cpp" +#line 274 "MDParser.cpp" zconstraintblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -252,6 +280,166 @@ void MDParser::zconstraintblock() { returnAST = zconstraintblock_AST; } +void MDParser::restraintblock() { + returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; + ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; + ANTLR_USE_NAMESPACE(antlr)RefAST restraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + + try { // for error handling + ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp13_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp13_AST); + match(RESTRAINT); + match(LCURLY); + { // ( ... )* + for (;;) { + if ((LA(1) == ID)) { + assignment(); + astFactory->addASTChild( currentAST, returnAST ); + } + else { + goto _loop15; + } + + } + _loop15:; + } // ( ... )* + ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp15_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp15_AST); + match(RCURLY); +#line 80 "MDParser.g" + tmp15_AST->setType(ENDBLOCK); +#line 314 "MDParser.cpp" + restraintblock_AST = currentAST.root; + } + catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { + reportError(ex); + recover(ex,_tokenSet_2); + } + returnAST = restraintblock_AST; +} + +void MDParser::flucqblock() { + returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; + ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; + ANTLR_USE_NAMESPACE(antlr)RefAST flucqblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + + try { // for error handling + ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp16_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp16_AST); + match(FLUCQ); + match(LCURLY); + { // ( ... )* + for (;;) { + if ((LA(1) == ID)) { + assignment(); + astFactory->addASTChild( currentAST, returnAST ); + } + else { + goto _loop18; + } + + } + _loop18:; + } // ( ... )* + ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp18_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp18_AST); + match(RCURLY); +#line 83 "MDParser.g" + tmp18_AST->setType(ENDBLOCK); +#line 354 "MDParser.cpp" + flucqblock_AST = currentAST.root; + } + catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { + reportError(ex); + recover(ex,_tokenSet_2); + } + returnAST = flucqblock_AST; +} + +void MDParser::rnemdblock() { + returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; + ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; + ANTLR_USE_NAMESPACE(antlr)RefAST rnemdblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + + try { // for error handling + ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp19_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp19_AST); + match(RNEMD); + match(LCURLY); + { // ( ... )* + for (;;) { + if ((LA(1) == ID)) { + assignment(); + astFactory->addASTChild( currentAST, returnAST ); + } + else { + goto _loop21; + } + + } + _loop21:; + } // ( ... )* + ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp21_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp21_AST); + match(RCURLY); +#line 86 "MDParser.g" + tmp21_AST->setType(ENDBLOCK); +#line 394 "MDParser.cpp" + rnemdblock_AST = currentAST.root; + } + catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { + reportError(ex); + recover(ex,_tokenSet_2); + } + returnAST = rnemdblock_AST; +} + +void MDParser::minimizerblock() { + returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; + ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; + ANTLR_USE_NAMESPACE(antlr)RefAST minimizerblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + + try { // for error handling + ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp22_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp22_AST); + match(MINIMIZER); + match(LCURLY); + { // ( ... )* + for (;;) { + if ((LA(1) == ID)) { + assignment(); + astFactory->addASTChild( currentAST, returnAST ); + } + else { + goto _loop24; + } + + } + _loop24:; + } // ( ... )* + ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp24_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp24_AST); + match(RCURLY); +#line 89 "MDParser.g" + tmp24_AST->setType(ENDBLOCK); +#line 434 "MDParser.cpp" + minimizerblock_AST = currentAST.root; + } + catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { + reportError(ex); + recover(ex,_tokenSet_2); + } + returnAST = minimizerblock_AST; +} + void MDParser::constant() { returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; @@ -275,20 +463,27 @@ void MDParser::constant() { constant_AST = currentAST.root; break; } + case LPAREN: + { + vectorConst(); + astFactory->addASTChild( currentAST, returnAST ); + constant_AST = currentAST.root; + break; + } case ID: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp13_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp13_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp25_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp25_AST); match(ID); constant_AST = currentAST.root; break; } case StringLiteral: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp14_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp14_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp26_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp26_AST); match(StringLiteral); constant_AST = currentAST.root; break; @@ -315,18 +510,18 @@ void MDParser::intConst() { switch ( LA(1)) { case NUM_INT: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp15_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp15_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp27_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp27_AST); match(NUM_INT); intConst_AST = currentAST.root; break; } case NUM_LONG: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp16_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp16_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp28_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp28_AST); match(NUM_LONG); intConst_AST = currentAST.root; break; @@ -353,18 +548,18 @@ void MDParser::floatConst() { switch ( LA(1)) { case NUM_FLOAT: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp17_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp17_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp29_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp29_AST); match(NUM_FLOAT); floatConst_AST = currentAST.root; break; } case NUM_DOUBLE: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp18_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp18_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp30_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp30_AST); match(NUM_DOUBLE); floatConst_AST = currentAST.root; break; @@ -382,6 +577,43 @@ void MDParser::floatConst() { returnAST = floatConst_AST; } +void MDParser::vectorConst() { + returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; + ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; + ANTLR_USE_NAMESPACE(antlr)RefAST vectorConst_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + + try { // for error handling + ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp31_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp31_AST); + match(LPAREN); + doubleNumber(); + 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; + } + catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { + reportError(ex); + recover(ex,_tokenSet_5); + } + returnAST = vectorConst_AST; +} + void MDParser::moleculestatement() { returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST; ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST; @@ -471,9 +703,9 @@ void MDParser::atomblock() { ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp19_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp19_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp35_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp35_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp35_AST); match(ATOM); match(LBRACKET); intConst(); @@ -487,19 +719,19 @@ void MDParser::atomblock() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop19; + goto _loop31; } } - _loop19:; + _loop31:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp23_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp23_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp39_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp39_AST); match(RCURLY); -#line 85 "MDParser.g" - tmp23_AST->setType(ENDBLOCK); -#line 503 "MDParser.cpp" +#line 106 "MDParser.g" + tmp39_AST->setType(ENDBLOCK); +#line 735 "MDParser.cpp" atomblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -515,9 +747,9 @@ void MDParser::bondblock() { ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp24_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp24_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp40_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp40_AST); match(BOND); { switch ( LA(1)) { @@ -546,19 +778,19 @@ void MDParser::bondblock() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop24; + goto _loop36; } } - _loop24:; + _loop36:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp28_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp28_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp44_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp44_AST); match(RCURLY); -#line 94 "MDParser.g" - tmp28_AST->setType(ENDBLOCK); -#line 562 "MDParser.cpp" +#line 115 "MDParser.g" + tmp44_AST->setType(ENDBLOCK); +#line 794 "MDParser.cpp" bondblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -574,9 +806,9 @@ void MDParser::bendblock() { ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp29_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp29_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp45_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp45_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp45_AST); match(BEND); { switch ( LA(1)) { @@ -605,19 +837,19 @@ void MDParser::bendblock() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop29; + goto _loop41; } } - _loop29:; + _loop41:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp33_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp33_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp49_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp49_AST); match(RCURLY); -#line 101 "MDParser.g" - tmp33_AST->setType(ENDBLOCK); -#line 621 "MDParser.cpp" +#line 122 "MDParser.g" + tmp49_AST->setType(ENDBLOCK); +#line 853 "MDParser.cpp" bendblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -633,9 +865,9 @@ void MDParser::torsionblock() { ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp34_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp34_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp50_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp50_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp50_AST); match(TORSION); { switch ( LA(1)) { @@ -664,19 +896,19 @@ void MDParser::torsionblock() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop34; + goto _loop46; } } - _loop34:; + _loop46:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp38_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp38_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp54_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp54_AST); match(RCURLY); -#line 108 "MDParser.g" - tmp38_AST->setType(ENDBLOCK); -#line 680 "MDParser.cpp" +#line 129 "MDParser.g" + tmp54_AST->setType(ENDBLOCK); +#line 912 "MDParser.cpp" torsionblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -692,9 +924,9 @@ void MDParser::inversionblock() { ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp39_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp39_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp55_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp55_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp55_AST); match(INVERSION); { switch ( LA(1)) { @@ -723,19 +955,19 @@ void MDParser::inversionblock() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop39; + goto _loop51; } } - _loop39:; + _loop51:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp43_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp43_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp59_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp59_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp59_AST); match(RCURLY); -#line 115 "MDParser.g" - tmp43_AST->setType(ENDBLOCK); -#line 739 "MDParser.cpp" +#line 136 "MDParser.g" + tmp59_AST->setType(ENDBLOCK); +#line 971 "MDParser.cpp" inversionblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -751,9 +983,9 @@ void MDParser::rigidbodyblock() { ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp44_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp44_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp60_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp60_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp60_AST); match(RIGIDBODY); match(LBRACKET); intConst(); @@ -767,19 +999,19 @@ void MDParser::rigidbodyblock() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop43; + goto _loop55; } } - _loop43:; + _loop55:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp48_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp48_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp64_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp64_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp64_AST); match(RCURLY); -#line 122 "MDParser.g" - tmp48_AST->setType(ENDBLOCK); -#line 783 "MDParser.cpp" +#line 143 "MDParser.g" + tmp64_AST->setType(ENDBLOCK); +#line 1015 "MDParser.cpp" rigidbodyblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -795,9 +1027,9 @@ void MDParser::cutoffgroupblock() { ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp49_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp49_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp65_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp65_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp65_AST); match(CUTOFFGROUP); { switch ( LA(1)) { @@ -826,19 +1058,19 @@ void MDParser::cutoffgroupblock() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop48; + goto _loop60; } } - _loop48:; + _loop60:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp53_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp53_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp69_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp69_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp69_AST); match(RCURLY); -#line 129 "MDParser.g" - tmp53_AST->setType(ENDBLOCK); -#line 842 "MDParser.cpp" +#line 150 "MDParser.g" + tmp69_AST->setType(ENDBLOCK); +#line 1074 "MDParser.cpp" cutoffgroupblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -854,9 +1086,9 @@ void MDParser::fragmentblock() { ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; try { // for error handling - ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp54_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp54_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp70_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp70_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp70_AST); match(FRAGMENT); match(LBRACKET); intConst(); @@ -870,19 +1102,19 @@ void MDParser::fragmentblock() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop52; + goto _loop64; } } - _loop52:; + _loop64:; } // ( ... )* - ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp58_AST = astFactory->create(LT(1)); - astFactory->addASTChild(currentAST, tmp58_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp74_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp74_AST = astFactory->create(LT(1)); + astFactory->addASTChild(currentAST, tmp74_AST); match(RCURLY); -#line 136 "MDParser.g" - tmp58_AST->setType(ENDBLOCK); -#line 886 "MDParser.cpp" +#line 157 "MDParser.g" + tmp74_AST->setType(ENDBLOCK); +#line 1118 "MDParser.cpp" fragmentblock_AST = currentAST.root; } catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) { @@ -908,9 +1140,9 @@ void MDParser::atomstatement() { } case POSITION: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp59_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp59_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp59_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp75_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp75_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp75_AST); match(POSITION); match(LPAREN); doubleNumberTuple(); @@ -922,9 +1154,9 @@ void MDParser::atomstatement() { } case ORIENTATION: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp63_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp63_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp79_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp79_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp79_AST); match(ORIENTATION); match(LPAREN); doubleNumberTuple(); @@ -963,11 +1195,11 @@ void MDParser::doubleNumberTuple() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop56; + goto _loop68; } } - _loop56:; + _loop68:; } // ( ... )* doubleNumberTuple_AST = currentAST.root; } @@ -994,9 +1226,9 @@ void MDParser::bondstatement() { } case MEMBERS: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp68_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp68_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp84_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp84_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp84_AST); match(MEMBERS); match(LPAREN); inttuple(); @@ -1035,11 +1267,11 @@ void MDParser::inttuple() { astFactory->addASTChild( currentAST, returnAST ); } else { - goto _loop59; + goto _loop71; } } - _loop59:; + _loop71:; } // ( ... )* inttuple_AST = currentAST.root; } @@ -1066,9 +1298,9 @@ void MDParser::bendstatement() { } case MEMBERS: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp73_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp73_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp73_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp89_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp89_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp89_AST); match(MEMBERS); match(LPAREN); inttuple(); @@ -1107,9 +1339,9 @@ void MDParser::torsionstatement() { } case MEMBERS: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp77_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp77_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp77_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp93_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp93_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp93_AST); match(MEMBERS); match(LPAREN); inttuple(); @@ -1148,9 +1380,9 @@ void MDParser::inversionstatement() { } case CENTER: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp81_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp81_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp81_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp97_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp97_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp97_AST); match(CENTER); match(LPAREN); intConst(); @@ -1189,9 +1421,9 @@ void MDParser::rigidbodystatement() { } case MEMBERS: { - ANTLR_USE_NAMESPACE(antlr)RefAST tmp85_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; - tmp85_AST = astFactory->create(LT(1)); - astFactory->makeASTRoot(currentAST, tmp85_AST); + ANTLR_USE_NAMESPACE(antlr)RefAST tmp101_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp101_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp101_AST); match(MEMBERS); match(LPAREN); inttuple(); @@ -1230,9 +1462,9 @@ void MDParser::cutoffgroupstatement() { } 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 tmp105_AST = ANTLR_USE_NAMESPACE(antlr)nullAST; + tmp105_AST = astFactory->create(LT(1)); + astFactory->makeASTRoot(currentAST, tmp105_AST); match(MEMBERS); match(LPAREN); inttuple(); @@ -1311,7 +1543,7 @@ void MDParser::initializeASTFactory( ANTLR_USE_NAMESPA void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory ) { - factory.setMaxNodeType(52); + factory.setMaxNodeType(56); } const char* MDParser::tokenNames[] = { "<0>", @@ -1321,6 +1553,7 @@ const char* MDParser::tokenNames[] = { "\"component\"", "\"molecule\"", "\"zconstraint\"", + "\"restraint\"", "\"atom\"", "\"bond\"", "\"bend\"", @@ -1333,6 +1566,9 @@ const char* MDParser::tokenNames[] = { "\"center\"", "\"position\"", "\"orientation\"", + "\"flucQ\"", + "\"RNEMD\"", + "\"minimizer\"", "ENDBLOCK", "ID", "ASSIGNEQUAL", @@ -1370,56 +1606,58 @@ const char* MDParser::tokenNames[] = { 0 }; -const unsigned long MDParser::_tokenSet_0_data_[] = { 1048688UL, 0UL, 0UL, 0UL }; -// "component" "molecule" "zconstraint" ID +const unsigned long MDParser::_tokenSet_0_data_[] = { 24117488UL, 0UL, 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_[] = { 1048690UL, 0UL, 0UL, 0UL }; -// EOF "component" "molecule" "zconstraint" ID -const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4); -const unsigned long MDParser::_tokenSet_3_data_[] = { 35127282UL, 0UL, 0UL, 0UL }; -// EOF "component" "molecule" "zconstraint" "atom" "bond" "bend" "torsion" -// "inversion" "rigidBody" "cutoffGroup" "fragment" "members" "center" -// "position" "orientation" ID RCURLY +const unsigned long MDParser::_tokenSet_2_data_[] = { 24117490UL, 0UL, 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_[] = { 562036722UL, 0UL, 0UL, 0UL }; +// EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend" +// "torsion" "inversion" "rigidBody" "cutoffGroup" "fragment" "members" +// "center" "position" "orientation" "flucQ" "RNEMD" "minimizer" ID RCURLY const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4); -const unsigned long MDParser::_tokenSet_4_data_[] = { 1081216UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_4_data_[] = { 16842496UL, 0UL, 0UL, 0UL }; // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" // "fragment" ID const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4); -const unsigned long MDParser::_tokenSet_5_data_[] = { 4194304UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_5_data_[] = { 67108864UL, 0UL, 0UL, 0UL }; // SEMICOLON const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4); -const unsigned long MDParser::_tokenSet_6_data_[] = { 1749024768UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_6_data_[] = { 2214592512UL, 6UL, 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_[] = { 1614807040UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_7_data_[] = { 67108864UL, 6UL, 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_[] = { 34635648UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_8_data_[] = { 553713408UL, 0UL, 0UL, 0UL }; // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" // "fragment" ID RCURLY const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4); -const unsigned long MDParser::_tokenSet_9_data_[] = { 1441792UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_9_data_[] = { 17563648UL, 0UL, 0UL, 0UL }; // "position" "orientation" ID const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4); -const unsigned long MDParser::_tokenSet_10_data_[] = { 34996224UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_10_data_[] = { 554434560UL, 0UL, 0UL, 0UL }; // "position" "orientation" ID RCURLY const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4); -const unsigned long MDParser::_tokenSet_11_data_[] = { 536870912UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_11_data_[] = { 0UL, 2UL, 0UL, 0UL }; // RPAREN const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4); -const unsigned long MDParser::_tokenSet_12_data_[] = { 34635776UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_12_data_[] = { 553713664UL, 0UL, 0UL, 0UL }; // "members" ID RCURLY const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4); -const unsigned long MDParser::_tokenSet_13_data_[] = { 34668544UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_13_data_[] = { 553779200UL, 0UL, 0UL, 0UL }; // "center" ID RCURLY const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4); -const unsigned long MDParser::_tokenSet_14_data_[] = { 34603008UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_14_data_[] = { 553648128UL, 0UL, 0UL, 0UL }; // ID RCURLY const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4); -const unsigned long MDParser::_tokenSet_15_data_[] = { 1610612736UL, 0UL, 0UL, 0UL }; +const unsigned long MDParser::_tokenSet_15_data_[] = { 0UL, 6UL, 0UL, 0UL }; // RPAREN COMMA const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4);