--- trunk/src/applications/dump2Xyz/Dump2XYZ.cpp 2005/01/25 17:45:23 273 +++ trunk/src/applications/dump2Xyz/Dump2XYZ.cpp 2005/02/13 19:10:25 324 @@ -54,6 +54,8 @@ #include "visitors/RigidBodyVisitor.hpp" #include "visitors/OtherVisitor.hpp" #include "visitors/ZconsVisitor.hpp" +#include "selection/SelectionEvaluator.hpp" +#include "selection/SelectionManager.hpp" using namespace oopse; int main(int argc, char* argv[]){ @@ -101,7 +103,7 @@ int main(int argc, char* argv[]){ //creat ignore visitor if(args_info.ignore_given ||args_info.water_flag){ - IgnoreVisitor* ignoreVisitor = new IgnoreVisitor(); + IgnoreVisitor* ignoreVisitor = new IgnoreVisitor(info); for(int i = 0; i < args_info.ignore_given; i++) ignoreVisitor->addIgnoreType(args_info.ignore_arg[i]); @@ -128,7 +130,19 @@ int main(int argc, char* argv[]){ compositeVisitor->addVisitor(rbCOMVisitor, 900); } - //compositeVisitor->addVisitor(lipidVisitor, 900); + //create selection visitor + //if (args_info.selection_given){ + // SelectionVisitor* selectionVisitor = new SelectionVisitor(info, args_info.selection_arg); + // compositeVisitor->addVisitor(selectionVisitor, 850); + //} + + SelectionEvaluator* evaluator = NULL; + if (args_info.selection_given) { + evaluator = new SelectionEvaluator(info); + assert(evaluator); + evaluator->loadScriptString( args_info.selection_arg); + + } //creat SSD atom visitor SSDAtomVisitor* ssdVisitor = new SSDAtomVisitor(info); @@ -197,6 +211,10 @@ int main(int argc, char* argv[]){ Molecule* mol; StuntDouble* integrableObject; RigidBody* rb; + + if (evaluator && !evaluator->isDynamic()) { + info->getSelectionManager()->setSelectionSet(evaluator->evaluate()); + } for (int i = 0; i < nframes; i += args_info.frame_arg){ dumpReader->readFrame(i); @@ -220,6 +238,11 @@ int main(int argc, char* argv[]){ //update visitor compositeVisitor->update(); + + //if dynamic, we need to re-evaluate the selection + if (evaluator && evaluator->isDynamic()) { + info->getSelectionManager()->setSelectionSet(evaluator->evaluate()); + } //visit stuntdouble for (mol = info->beginMolecule(miter); mol != NULL; mol = info->nextMolecule(miter)) {