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#include "io/Globals.hpp" |
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#include "utils/StringUtils.hpp" |
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using namespace std; |
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using namespace oopse; |
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using namespace OpenMD; |
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} |
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options |
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{ |
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options |
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{ |
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k = 3; |
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k = 1; |
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importVocab = MD; |
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} |
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{ |
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| componentblock |
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| moleculeblock |
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| zconstraintblock |
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| restraintblock |
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; |
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assignment : #(ASSIGNEQUAL id:ID constant[#id]) //{blockStack.top()->assign(#ID->getText(),);} |
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; |
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constant [ANTLR_USE_NAMESPACE(antlr)RefAST id] |
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: signedIntOrFloat[#id] |
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constant [ANTLR_USE_NAMESPACE(antlr)RefAST id] |
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{ |
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int ival; |
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RealType dval; |
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} |
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: ival=intConst {blockStack.top()->assign(id->getText(), ival);} |
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| dval=floatConst {blockStack.top()->assign(id->getText(), dval);} |
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| str1:ID {blockStack.top()->assign(id->getText(), str1->getText());} |
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| str2:StringLiteral { std::string s = str2->getText(); |
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s = s.substr(1, s.length()-2); |
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} |
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; |
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signedIntOrFloat [ANTLR_USE_NAMESPACE(antlr)RefAST id] |
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{ |
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int ival; |
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double dval; |
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} |
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: #(MINUS (icMinus:intConst {ival = lexi_cast<int>(icMinus->getText()); ival = -ival; blockStack.top()->assign(id->getText(), ival);} |
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| fcMinus:floatConst) {dval = lexi_cast<double>(fcMinus->getText());dval = -dval; blockStack.top()->assign(id->getText(), dval);} |
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) |
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| (ic:intConst {ival = lexi_cast<int>(ic->getText()); blockStack.top()->assign(id->getText(), ival);} |
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| fc:floatConst {dval = lexi_cast<double>(fc->getText()); blockStack.top()->assign(id->getText(), dval);} |
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) |
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; |
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componentblock : #(COMPONENT {Component* currComponet = new Component(); blockStack.push(currComponet);} |
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(assignment)* |
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(assignment)* |
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ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp);} |
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; |
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|
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restraintblock : #(RESTRAINT {RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);} |
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(assignment)* |
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ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);} |
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; |
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moleculeblock : #(MOLECULE {MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);} |
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(moleculestatement)* |
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| bondblock |
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| bendblock |
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| torsionblock |
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| inversionblock |
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| rigidbodyblock |
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| cutoffgroupblock |
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| fragmentblock |
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atomstatement |
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{ |
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vector<double> dvec; |
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vector<RealType> dvec; |
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AtomStamp* currAtomStamp = static_cast<AtomStamp*>(blockStack.top()); |
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} |
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: assignment |
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| #(POSITION dvec=signedNumberTuple) {currAtomStamp->setPosition(dvec);} |
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| #(ORIENTATION dvec=signedNumberTuple) {currAtomStamp->setOrientation(dvec);} |
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| #(POSITION dvec=doubleNumberTuple) {currAtomStamp->setPosition(dvec);} |
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| #(ORIENTATION dvec=doubleNumberTuple) {currAtomStamp->setOrientation(dvec);} |
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; |
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} |
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: assignment |
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| #(MEMBERS ivec=inttuple) {currTorsionStamp->setMembers(ivec);} |
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; |
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inversionblock : #(INVERSION {InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp);} |
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(inversionstatement)* |
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ENDBLOCK ) { |
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blockStack.top()->validate(); |
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blockStack.pop(); |
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MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); |
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currMoleculeStamp->addInversionStamp(currInversionStamp); |
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} |
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; |
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inversionstatement |
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{ |
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int icent; |
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InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top()); |
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} |
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: assignment |
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| #(CENTER icent=intConst) {currInversionStamp->setCenter(icent);} |
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; |
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rigidbodyblock |
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signedNumberTuple returns [vector<double> dvec] |
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doubleNumberTuple returns [vector<RealType> dvec] |
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{ |
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double dval; |
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RealType dval; |
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} |
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: (dval=signedNumber {dvec.push_back(dval);})+ |
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: (dval=doubleNumber {dvec.push_back(dval);})+ |
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; |
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inttuple returns [vector<int> ivec] |
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protected |
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intConst returns [int ival] |
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: oival:OCTALINT {ival = lexi_cast<int>(oival->getText());} |
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| dival:DECIMALINT {ival = lexi_cast<int>(dival->getText());} |
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| hival:HEXADECIMALINT {ival = lexi_cast<int>(hival->getText());} |
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: i1:NUM_INT {ival = lexi_cast<int>(i1->getText());} |
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| i2:NUM_LONG {ival = lexi_cast<int>(i2->getText());} |
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; |
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protected |
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signedNumber returns [double dval] |
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: #(MINUS (icMinus:intConst {dval = lexi_cast<double>(icMinus->getText()); dval = -dval;} |
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| fcMinus:floatConst) {dval = lexi_cast<double>(fcMinus->getText());dval = -dval;} |
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) |
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| (ic:intConst {dval = lexi_cast<double>(ic->getText());} |
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| fc:floatConst {dval = lexi_cast<double>(fc->getText());} |
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) |
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doubleNumber returns [RealType dval] |
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: |
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ic:intConst {dval = lexi_cast<RealType>(ic->getText());} |
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| fc:floatConst {dval = lexi_cast<RealType>(fc->getText());} |
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; |
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protected |
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floatConst returns [double dval] |
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: d1:FLOATONE {dval = lexi_cast<double>(d1->getText());} |
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| d2:FLOATTWO {dval = lexi_cast<double>(d2->getText());} |
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floatConst returns [RealType dval] |
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: d1:NUM_FLOAT {dval = lexi_cast<RealType>(d1->getText());} |
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| d2:NUM_DOUBLE {dval = lexi_cast<RealType>(d2->getText());} |
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; |
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