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#include "RigidBodyVisitor.hpp" |
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#include "RigidBody.hpp" |
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#include "MatVec3.h" |
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|
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void LipidHeadVisitor::visit(RigidBody* rb){ |
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double pos[3]; |
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double u[3] = {0, 0, 1}; |
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double newVec[3]; |
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GenericData* data; |
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AtomData* atomData; |
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AtomInfo* atomInfo; |
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bool haveAtomData; |
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double rotMatrix[3][3]; |
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|
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if(!canVisit(rb->getType())) |
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return; |
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|
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rb->getPos(pos); |
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rb->getA(rotMatrix); |
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matVecMul3(rotMatrix, u, newVec); |
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|
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data = rb->getProperty("ATOMDATA"); |
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if(data != NULL){ |
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|
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atomData = dynamic_cast<AtomData*>(data); |
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if(atomData == NULL){ |
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cerr << "can not get Atom Data from " << rb->getType() << endl; |
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atomData = new AtomData; |
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haveAtomData = false; |
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} |
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else |
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haveAtomData = true; |
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} |
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else{ |
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atomData = new AtomData; |
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haveAtomData = false; |
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} |
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|
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atomInfo = new AtomInfo; |
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atomInfo->AtomType = "X"; |
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atomInfo->pos[0] = pos[0]; |
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atomInfo->pos[1] = pos[1]; |
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atomInfo->pos[2] = pos[2]; |
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atomInfo->dipole[0] = newVec[0]; |
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atomInfo->dipole[1] = newVec[1]; |
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atomInfo->dipole[2] = newVec[2]; |
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|
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atomData->addAtomInfo(atomInfo); |
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|
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if(!haveAtomData){ |
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atomData->setID("ATOMDATA"); |
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rb->addProperty(atomData); |
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} |
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|
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} |
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|
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void LipidHeadVisitor::addLipidHeadName(const string& name){ |
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lipidHeadName.insert(name); |
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|
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} |
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|
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bool LipidHeadVisitor::canVisit(const string& name){ |
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return lipidHeadName.find(name) != lipidHeadName.end() ? true : false; |
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|
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} |
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|
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const string LipidHeadVisitor::toString(){ |
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char buffer[65535]; |
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set<string>::iterator i; |
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|
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sprintf(buffer,"------------------------------------------------------------------\n"); |
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sprintf(buffer,"Visitor name: %s", visitorName.c_str()); |
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|
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//print the ignore type list |
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sprintf(buffer, "lipidHeadName list contains below types:\n"); |
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for(i = lipidHeadName.begin(); i != lipidHeadName.end(); ++i) |
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sprintf(buffer,"%s,\t", i->c_str()); |
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sprintf(buffer,"\n"); |
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|
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sprintf(buffer,"------------------------------------------------------------------\n"); |
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|
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return buffer; |
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|
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} |
