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#include "visitors/OtherVisitor.hpp" |
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#include "visitors/ZconsVisitor.hpp" |
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#include "selection/SelectionEvaluator.hpp" |
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#include "selection/SelectionManager.hpp" |
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#include "visitors/LipidTransVisitor.hpp" |
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using namespace oopse; |
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int main(int argc, char* argv[]){ |
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//creat visitor list |
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CompositeVisitor* compositeVisitor = new CompositeVisitor(); |
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//creat ignore visitor |
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if(args_info.ignore_given ||args_info.water_flag){ |
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IgnoreVisitor* ignoreVisitor = new IgnoreVisitor(info); |
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for(int i = 0; i < args_info.ignore_given; i++) |
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ignoreVisitor->addIgnoreType(args_info.ignore_arg[i]); |
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//ignore water |
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if(args_info.water_flag){ |
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ignoreVisitor->addIgnoreType("SSD"); |
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ignoreVisitor->addIgnoreType("SSD1"); |
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ignoreVisitor->addIgnoreType("SSD_E"); |
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ignoreVisitor->addIgnoreType("SSD_RF"); |
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ignoreVisitor->addIgnoreType("TIP3P_RB_0"); |
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ignoreVisitor->addIgnoreType("TIP4P_RB_0"); |
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ignoreVisitor->addIgnoreType("TIP5P_RB_0"); |
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ignoreVisitor->addIgnoreType("SPCE_RB_0"); |
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ignoreVisitor->addIgnoreType("DPD_RB_0"); |
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} |
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compositeVisitor->addVisitor(ignoreVisitor, 1000); |
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} |
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//creat RigidBody Visitor |
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if(args_info.rigidbody_flag){ |
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RBCOMVisitor* rbCOMVisitor = new RBCOMVisitor(info); |
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compositeVisitor->addVisitor(rbCOMVisitor, 900); |
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} |
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//create selection visitor |
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//if (args_info.selection_given){ |
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// SelectionVisitor* selectionVisitor = new SelectionVisitor(info, args_info.selection_arg); |
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// compositeVisitor->addVisitor(selectionVisitor, 850); |
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//} |
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SelectionEvaluator* evaluator = NULL; |
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if (args_info.selection_given) { |
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evaluator = new SelectionEvaluator(info); |
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assert(evaluator); |
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evaluator->loadScriptString( args_info.selection_arg); |
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} |
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//creat SSD atom visitor |
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SSDAtomVisitor* ssdVisitor = new SSDAtomVisitor(info); |
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compositeVisitor->addVisitor(ssdVisitor, 800); |
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WrappingVisitor* wrappingVisitor = new WrappingVisitor(info); |
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compositeVisitor->addVisitor(wrappingVisitor, 400); |
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} |
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//creat replicate visitor |
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if(args_info.repeatX_given > 0 || args_info.repeatY_given > 0 ||args_info.repeatY_given > 0){ |
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Vector3i replicateOpt(args_info.repeatX_arg, args_info.repeatY_arg, args_info.repeatZ_arg); |
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ReplicateVisitor* replicateVisitor = new ReplicateVisitor(info, replicateOpt); |
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compositeVisitor->addVisitor(replicateVisitor, 300); |
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} |
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//create rotation visitor |
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if (args_info.refsele_given&& args_info.originsele_given) { |
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compositeVisitor->addVisitor(new LipidTransVisitor(info, args_info.originsele_arg, args_info.refsele_arg), 250); |
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} else if (args_info.refsele_given || args_info.originsele_given) { |
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std::cerr << "Both of --refsele and --originsele should appear by pair" << std::endl; |
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exit(1); |
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} |
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//creat xyzVisitor |
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XYZVisitor* xyzVisitor = new XYZVisitor(info); |
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XYZVisitor* xyzVisitor; |
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if (args_info.selection_given) { |
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xyzVisitor = new XYZVisitor(info, args_info.selection_arg); |
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} else { |
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xyzVisitor = new XYZVisitor(info); |
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} |
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compositeVisitor->addVisitor(xyzVisitor, 200); |
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std::cout << compositeVisitor->toString(); |
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Molecule* mol; |
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StuntDouble* integrableObject; |
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RigidBody* rb; |
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if (evaluator && !evaluator->isDynamic()) { |
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info->getSelectionManager()->setSelectionSet(evaluator->evaluate()); |
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} |
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for (int i = 0; i < nframes; i += args_info.frame_arg){ |
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dumpReader->readFrame(i); |
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//update visitor |
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compositeVisitor->update(); |
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//if dynamic, we need to re-evaluate the selection |
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if (evaluator && evaluator->isDynamic()) { |
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info->getSelectionManager()->setSelectionSet(evaluator->evaluate()); |
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} |
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//visit stuntdouble |
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for (mol = info->beginMolecule(miter); mol != NULL; mol = info->nextMolecule(miter)) { |
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for (integrableObject = mol->beginIntegrableObject(iiter); integrableObject != NULL; |
