--- trunk/src/applications/dump2Xyz/Dump2XYZ.cpp 2005/03/09 17:30:29 413 +++ trunk/src/applications/dump2Xyz/Dump2XYZ.cpp 2005/05/26 22:45:00 543 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -57,6 +57,7 @@ #include "selection/SelectionEvaluator.hpp" #include "selection/SelectionManager.hpp" #include "visitors/LipidTransVisitor.hpp" +#include "visitors/AtomNameVisitor.hpp" using namespace oopse; @@ -99,31 +100,37 @@ int main(int argc, char* argv[]){ - //creat visitor list + //create visitor list CompositeVisitor* compositeVisitor = new CompositeVisitor(); - //creat RigidBody Visitor + //create RigidBody Visitor if(args_info.rigidbody_flag){ RBCOMVisitor* rbCOMVisitor = new RBCOMVisitor(info); compositeVisitor->addVisitor(rbCOMVisitor, 900); } - //creat SSD atom visitor + //create SSD atom visitor SSDAtomVisitor* ssdVisitor = new SSDAtomVisitor(info); compositeVisitor->addVisitor(ssdVisitor, 800); LinearAtomVisitor* linearVisitor = new LinearAtomVisitor(info); compositeVisitor->addVisitor(linearVisitor, 750); - //creat default atom visitor + //create default atom visitor DefaultAtomVisitor* defaultAtomVisitor = new DefaultAtomVisitor(info); compositeVisitor->addVisitor(defaultAtomVisitor, 700); - //creat waterType visitor + //create waterType visitor if(args_info.watertype_flag){ 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){ @@ -137,14 +144,14 @@ int main(int argc, char* argv[]){ } } - //creat wrapping visitor + //create wrapping visitor if(args_info.periodicBox_flag){ WrappingVisitor* wrappingVisitor = new WrappingVisitor(info); compositeVisitor->addVisitor(wrappingVisitor, 400); } - //creat replicate visitor + //create replicate visitor if(args_info.repeatX_given > 0 || args_info.repeatY_given > 0 ||args_info.repeatY_given > 0){ Vector3i replicateOpt(args_info.repeatX_arg, args_info.repeatY_arg, args_info.repeatZ_arg); ReplicateVisitor* replicateVisitor = new ReplicateVisitor(info, replicateOpt); @@ -160,7 +167,7 @@ int main(int argc, char* argv[]){ exit(1); } - //creat xyzVisitor + //create xyzVisitor XYZVisitor* xyzVisitor; if (args_info.selection_given) { xyzVisitor = new XYZVisitor(info, args_info.selection_arg); @@ -171,7 +178,7 @@ int main(int argc, char* argv[]){ std::cout << compositeVisitor->toString(); - //creat prepareVisitor + //create prepareVisitor PrepareVisitor* prepareVisitor = new PrepareVisitor(); //open dump file @@ -229,7 +236,7 @@ int main(int argc, char* argv[]){ xyzStream.close(); - + delete prepareVisitor; delete compositeVisitor; delete info;