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/* |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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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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#include "visitors/AtomNameVisitor.hpp" |
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using namespace oopse; |
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//creat visitor list |
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//create visitor list |
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CompositeVisitor* compositeVisitor = new CompositeVisitor(); |
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//creat RigidBody Visitor |
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//create 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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//creat SSD atom visitor |
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//create SSD atom visitor |
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SSDAtomVisitor* ssdVisitor = new SSDAtomVisitor(info); |
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compositeVisitor->addVisitor(ssdVisitor, 800); |
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LinearAtomVisitor* linearVisitor = new LinearAtomVisitor(info); |
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compositeVisitor->addVisitor(linearVisitor, 750); |
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//creat default atom visitor |
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GBLipidAtomVisitor* gbLipidVisitor = new GBLipidAtomVisitor(info); |
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compositeVisitor->addVisitor(gbLipidVisitor, 740); |
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//create default atom visitor |
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DefaultAtomVisitor* defaultAtomVisitor = new DefaultAtomVisitor(info); |
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compositeVisitor->addVisitor(defaultAtomVisitor, 700); |
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//creat waterType visitor |
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//create waterType visitor |
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if(args_info.watertype_flag){ |
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WaterTypeVisitor* waterTypeVisitor = new WaterTypeVisitor; |
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compositeVisitor->addVisitor(waterTypeVisitor, 600); |
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} |
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if (args_info.basetype_flag) { |
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AtomNameVisitor* atomNameVisitor = new AtomNameVisitor(info); |
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compositeVisitor->addVisitor(atomNameVisitor, 550); |
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} |
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//create ZconsVisitor |
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if(args_info.zconstraint_flag){ |
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} |
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} |
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//creat wrapping visitor |
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//create wrapping visitor |
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if(args_info.periodicBox_flag){ |
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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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//create 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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exit(1); |
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} |
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//creat xyzVisitor |
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//create xyzVisitor |
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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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std::cout << compositeVisitor->toString(); |
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//creat prepareVisitor |
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//create prepareVisitor |
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PrepareVisitor* prepareVisitor = new PrepareVisitor(); |
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//open dump file |