--- trunk/src/applications/dump2Xyz/Dump2XYZ.cpp 2005/05/12 19:43:48 527 +++ trunk/src/applications/dump2Xyz/Dump2XYZ.cpp 2006/05/10 01:44:48 954 @@ -57,6 +57,7 @@ #include "selection/SelectionEvaluator.hpp" #include "selection/SelectionManager.hpp" #include "visitors/LipidTransVisitor.hpp" +#include "visitors/AtomNameVisitor.hpp" using namespace oopse; @@ -114,7 +115,13 @@ int main(int argc, char* argv[]){ LinearAtomVisitor* linearVisitor = new LinearAtomVisitor(info); compositeVisitor->addVisitor(linearVisitor, 750); + if (args_info.gb_given) { + linearVisitor->addGayBerneAtomType(args_info.gb_arg); + } + GBLipidAtomVisitor* gbLipidVisitor = new GBLipidAtomVisitor(info); + compositeVisitor->addVisitor(gbLipidVisitor, 740); + //create default atom visitor DefaultAtomVisitor* defaultAtomVisitor = new DefaultAtomVisitor(info); compositeVisitor->addVisitor(defaultAtomVisitor, 700); @@ -124,6 +131,12 @@ int main(int argc, char* argv[]){ WaterTypeVisitor* waterTypeVisitor = new WaterTypeVisitor; compositeVisitor->addVisitor(waterTypeVisitor, 600); } + + if (args_info.basetype_flag) { + AtomNameVisitor* atomNameVisitor = new AtomNameVisitor(info); + compositeVisitor->addVisitor(atomNameVisitor, 550); + + } //create ZconsVisitor if(args_info.zconstraint_flag){