--- trunk/src/mdParser/MDTreeParser.g 2006/05/17 21:51:42 963 +++ branches/development/src/mdParser/MDTreeParser.g 2010/07/09 23:08:25 1465 @@ -4,7 +4,7 @@ using namespace std; #include "io/Globals.hpp" #include "utils/StringUtils.hpp" using namespace std; -using namespace oopse; +using namespace OpenMD; } options { @@ -15,7 +15,7 @@ options options { - k = 3; + k = 1; importVocab = MD; } { @@ -38,6 +38,7 @@ statement : assignment | componentblock | moleculeblock | zconstraintblock + | restraintblock ; @@ -68,6 +69,11 @@ zconstraintblock : #(ZCONSTRAINT {ZConsStamp* currZCo (assignment)* ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp);} ; + +restraintblock : #(RESTRAINT {RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);} + (assignment)* + ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);} + ; moleculeblock : #(MOLECULE {MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);} (moleculestatement)* @@ -79,6 +85,7 @@ moleculestatement : assignment | bondblock | bendblock | torsionblock + | inversionblock | rigidbodyblock | cutoffgroupblock | fragmentblock @@ -164,6 +171,25 @@ torsionstatement } : assignment | #(MEMBERS ivec=inttuple) {currTorsionStamp->setMembers(ivec);} + ; + +inversionblock : #(INVERSION {InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp);} + (inversionstatement)* + ENDBLOCK ) { + blockStack.top()->validate(); + blockStack.pop(); + MoleculeStamp* currMoleculeStamp = static_cast(blockStack.top()); + currMoleculeStamp->addInversionStamp(currInversionStamp); + } + ; + +inversionstatement +{ + int icent; + InversionStamp* currInversionStamp = static_cast(blockStack.top()); +} + : assignment + | #(CENTER icent=intConst) {currInversionStamp->setCenter(icent);} ; rigidbodyblock