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#include "visitors/ZconsVisitor.hpp" |
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#include <cmath> |
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namespace oopse { |
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ZConsVisitor::ZConsVisitor(SimInfo* info) : BaseVisitor(), zconsReader(NULL){ |
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GenericData* data; |
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DoubleData* tolerance; |
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DoubleGenericData* tolerance; |
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ZConsParaData* zConsParaData; |
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StringData* filename; |
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DoubleData* sampleTime; |
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StringGenericData* filename; |
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DoubleGenericData* sampleTime; |
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vector<ZConsParaItem>* parameters; |
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this->info = info; |
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visitorName = "ZConsVisitor"; |
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//retrieve tolerance for z-constraint molecuels |
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data = info->getProperty(ZCONSTOL_ID); |
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data = info->getPropertyByName(ZCONSTOL_ID); |
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if (!data){ |
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cerr << "Can not get zconstraint tolerance from SimInfo" << endl; |
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return; |
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} |
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else{ |
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tolerance = dynamic_cast<DoubleData*>(data); |
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tolerance = dynamic_cast<DoubleGenericData*>(data); |
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if (!tolerance){ |
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cerr << "Can not get zconstraint tolerance from SimInfo" << endl; |
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} |
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//retrieve sample time of z-contraint |
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data = info->getProperty(ZCONSTIME_ID); |
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data = info->getPropertyByName(ZCONSTIME_ID); |
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if (!data){ |
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cerr << "Can not get zcons time from SimInfo" << endl; |
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return; |
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} |
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else{ |
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sampleTime = dynamic_cast<DoubleData*>(data); |
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sampleTime = dynamic_cast<DoubleGenericData*>(data); |
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if (!sampleTime){ |
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cerr << "Can not get zcons time from SimInfo" << endl; |
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} |
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//retrieve index of z-constraint molecules |
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data = info->getProperty(ZCONSPARADATA_ID); |
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data = info->getPropertyByName(ZCONSPARADATA_ID); |
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if (!data){ |
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cerr << "Can not get index of z-constraint molecules from SimInfo" << endl; |
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haveZcons = false; |
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}//end if (!data |
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//retrieve output filename of z force |
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data = info->getProperty(ZCONSFILENAME_ID); |
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data = info->getPropertyByName(ZCONSFILENAME_ID); |
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if (!data){ |
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cerr << "Can not get filename of z-constraint output from SimInfo" << endl; |
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haveZcons = false; |
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return; |
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} |
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else{ |
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filename = dynamic_cast<StringData*>(data); |
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filename = dynamic_cast<StringGenericData*>(data); |
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if (!filename){ |
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cerr << "Can not get filename of z-constraint output from SimInfo" << endl; |
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void ZConsVisitor::visit(Atom* atom){ |
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string prefix; |
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if(isZconstraint(atom->getIndex(), prefix)) |
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if(isZconstraint(atom->getLocalIndex(), prefix)) |
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internalVisit(atom, prefix); |
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} |
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void ZConsVisitor::visit(DirectionalAtom* datom){ |
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string prefix; |
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if(isZconstraint(datom->getIndex(), prefix)) |
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if(isZconstraint(datom->getLocalIndex(), prefix)) |
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internalVisit(datom, prefix); |
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} |
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atoms = rb->getAtoms(); |
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if(isZconstraint(atoms[0]->getIndex(), prefix)) |
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if(isZconstraint(atoms[0]->getLocalIndex(), prefix)) |
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internalVisit(rb, prefix); |
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} |
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Molecule* mols; |
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mols = info->molecules; |
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for(int i =0; i < info->n_mol; i++) |
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if(index == mols[i].getMyIndex()) |
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if(index == mols[i].getGlobalIndex()) |
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return &mols[i]; |
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return NULL; |
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void ZConsVisitor::update(){ |
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Molecule* mol; |
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double com[3]; |
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Vector3d com; |
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ZConsState state; |
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Atom** atoms; |
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int natoms; |
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//Atom** atoms; |
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//int natoms; |
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getZconsPos(info->currentTime); |
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for(size_t i = 0; i < zconsMol.size(); i++){ |
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zconsMol[i]->getCOM(com); |
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com = zconsMol[i]->getCom(); |
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if(fabs(com[2] - zconsPos[i]) < zconsTol) |
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state = zsFixed; |
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state = zsMoving; |
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//update the state of zconstraint atom |
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natoms = zconsMol[i]->getNAtoms(); |
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atoms = zconsMol[i]->getMyAtoms(); |
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for(int j =0; j < natoms; j++) |
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zconsState[atoms[j]->getIndex()] = state; |
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//natoms = zconsMol[i]->getNAtoms(); |
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//atoms = zconsMol[i]->getMyAtoms(); |
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//for(int j =0; j < natoms; j++) |
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// zconsState[atoms[j]->getLocalIndex()] = state; |
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std::vector<Atom*>::iterator j; |
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for (Atom* atom = zconsMol[i]->beginAtom(j); atom != NULL; atom = zconsMol[i]->nextAtom(j)) { |
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zconsState[atom->getLocalIndex()] = state; |
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} |
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} |
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} |
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//if there is not atom data, just skip it |
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data = sd->getProperty("ATOMDATA"); |
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data = sd->getPropertyByName("ATOMDATA"); |
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if(data != NULL){ |
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atomData = dynamic_cast<AtomData*>(data); |
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if(atomData == NULL) |
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result += buffer; |
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for(size_t i = 0; i < zconsMol.size(); ++i){ |
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sprintf(buffer ,"zconstraint molecule[%d] = %d\n", i, zconsMol[i]->getMyIndex()); |
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sprintf(buffer ,"zconstraint molecule[%d] = %d\n", i, zconsMol[i]->getGlobalIndex()); |
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result += buffer; |
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} |
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return result; |
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} |
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}//namespace oopse |
