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#include "io/DumpReader.hpp" |
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#include "utils/simError.h" |
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#include "visitors/AtomVisitor.hpp" |
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#include "visitors/ReplacementVisitor.hpp" |
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#include "visitors/CompositeVisitor.hpp" |
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#include "visitors/RigidBodyVisitor.hpp" |
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#include "visitors/OtherVisitor.hpp" |
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SimCreator creator; |
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SimInfo* info = creator.createSim(dumpFileName, false); |
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|
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|
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//create visitor list |
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CompositeVisitor* compositeVisitor = new CompositeVisitor(); |
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|
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|
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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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SSDAtomVisitor* ssdVisitor = new SSDAtomVisitor(info); |
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compositeVisitor->addVisitor(ssdVisitor, 800); |
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|
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LinearAtomVisitor* linearVisitor = new LinearAtomVisitor(info); |
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compositeVisitor->addVisitor(linearVisitor, 750); |
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if (args_info.gb_given) { |
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linearVisitor->addGayBerneAtomType(args_info.gb_arg); |
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} |
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GBLipidAtomVisitor* gbLipidVisitor = new GBLipidAtomVisitor(info); |
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compositeVisitor->addVisitor(gbLipidVisitor, 740); |
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|
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Ring5gbAtomVisitor* ring5Visitor = new Ring5gbAtomVisitor(info); |
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compositeVisitor->addVisitor(ring5Visitor, 730); |
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HeadAtomVisitor* headVisitor = new HeadAtomVisitor(info); |
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compositeVisitor->addVisitor(headVisitor, 720); |
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|
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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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|
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// if we gave the -w option, we want to skip the waters: |
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std::cerr << "-w flag was set to:" << args_info.water_given << "\n"; |
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if (!args_info.water_given) { |
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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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} |
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} |
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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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AtomNameVisitor* atomNameVisitor = new AtomNameVisitor(info); |
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compositeVisitor->addVisitor(atomNameVisitor, 550); |
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std::cout << compositeVisitor->toString(); |
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} |
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//create ZconsVisitor |
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xyzVisitor->setPosOnly(posOnly); |
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} |
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|
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compositeVisitor->addVisitor(xyzVisitor, 200); |
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compositeVisitor->addVisitor(xyzVisitor, 200); |
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|
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std::cout << compositeVisitor->toString(); |
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|
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//create prepareVisitor |
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PrepareVisitor* prepareVisitor = new PrepareVisitor(); |
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