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root/group/trunk/OOPSE-2.0/src/visitors/ZconsVisitor.cpp
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Comparing trunk/OOPSE-2.0/src/visitors/ZconsVisitor.cpp (file contents):
Revision 2091 by gezelter, Tue Mar 8 21:07:49 2005 UTC vs.
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 45 | Line 45 | ZConsVisitor::ZConsVisitor(SimInfo* info) : BaseVisito
45   #include "utils/StringUtils.hpp"
46   namespace oopse {
47  
48 < ZConsVisitor::ZConsVisitor(SimInfo* info) : BaseVisitor(), info_(info), zconsReader_(NULL){
48 >  ZConsVisitor::ZConsVisitor(SimInfo* info) : BaseVisitor(), info_(info), zconsReader_(NULL){
49  
50      visitorName = "ZConsVisitor";
51      currSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot();
52      Globals* simParam = info_->getSimParams();
53  
54      if (simParam->haveZconstraintTime()){
55 <        zconsTime_ = simParam->getZconsTime();
55 >      zconsTime_ = simParam->getZconsTime();
56      }
57      else{
58 <        sprintf(painCave.errMsg,
59 <        "ZConstraint error: If you use a ZConstraint,\n"
60 <        "\tyou must set zconsTime.\n");
61 <        painCave.isFatal = 1;
62 <        simError();
58 >      sprintf(painCave.errMsg,
59 >              "ZConstraint error: If you use a ZConstraint,\n"
60 >              "\tyou must set zconsTime.\n");
61 >      painCave.isFatal = 1;
62 >      simError();
63      }
64  
65      if (simParam->haveZconsTol()){
66 <        zconsTol_ = simParam->getZconsTol();
66 >      zconsTol_ = simParam->getZconsTol();
67      }
68      else{
69 <        zconsTol_ = 0.01;
70 <        sprintf(painCave.errMsg,
71 <            "ZConstraint Warning: Tolerance for z-constraint method is not specified.\n"
72 <            "\tOOPSE will use a default value of %f.\n"
73 <            "\tTo set the tolerance, use the zconsTol variable.\n",
74 <            zconsTol_);
75 <        painCave.isFatal = 0;
76 <        simError();      
69 >      zconsTol_ = 0.01;
70 >      sprintf(painCave.errMsg,
71 >              "ZConstraint Warning: Tolerance for z-constraint method is not specified.\n"
72 >              "\tOOPSE will use a default value of %f.\n"
73 >              "\tTo set the tolerance, use the zconsTol variable.\n",
74 >              zconsTol_);
75 >      painCave.isFatal = 0;
76 >      simError();      
77      }    
78          
79      int nZconstraints = simParam->getNzConstraints();
80      ZconStamp** stamp = simParam->getZconStamp();
81      for (int i = 0; i < nZconstraints; i++){
82 <        int zmolIndex = stamp[i]->getMolIndex();
83 <        zmolStates_.insert(std::make_pair(zmolIndex, zsMoving));
82 >      int zmolIndex = stamp[i]->getMolIndex();
83 >      zmolStates_.insert(std::make_pair(zmolIndex, zsMoving));
84      }
85  
86  
# Line 88 | Line 88 | ZConsVisitor::ZConsVisitor(SimInfo* info) : BaseVisito
88      /** @todo only works for single version now*/
89      std::map<int, ZConsState>::iterator j;
90      for (j = zmolStates_.begin(); j != zmolStates_.end(); ++j) {
91 <        Molecule* mol = info_->getMoleculeByGlobalIndex(j->first);
92 <        assert(mol != NULL);
93 <        Molecule::AtomIterator ai;
94 <        Atom* at;
95 <        for (at = mol->beginAtom(ai); at != NULL; at = mol->nextAtom(ai)) {
96 <            zatomToZmol_.insert(std::make_pair(at->getGlobalIndex(), mol->getGlobalIndex()));
97 <        }
91 >      Molecule* mol = info_->getMoleculeByGlobalIndex(j->first);
92 >      assert(mol != NULL);
93 >      Molecule::AtomIterator ai;
94 >      Atom* at;
95 >      for (at = mol->beginAtom(ai); at != NULL; at = mol->nextAtom(ai)) {
96 >        zatomToZmol_.insert(std::make_pair(at->getGlobalIndex(), mol->getGlobalIndex()));
97 >      }
98      }
99  
100      zconsFilename_ = getPrefix(info_->getFinalConfigFileName()) + ".fz";
# Line 102 | Line 102 | ZConsVisitor::ZConsVisitor(SimInfo* info) : BaseVisito
102      zconsReader_ = new ZConsReader(info);
103  
104      if (zconsReader_->hasNextFrame())
105 <        zconsReader_->readNextFrame();
105 >      zconsReader_->readNextFrame();
106    
107 < }
107 >  }
108  
109 < ZConsVisitor::~ZConsVisitor(){
110 <  if(!zconsReader_)
111 <    delete zconsReader_;
109 >  ZConsVisitor::~ZConsVisitor(){
110 >    if(!zconsReader_)
111 >      delete zconsReader_;
112    
113 < }
113 >  }
114  
115 < void ZConsVisitor::visit(Atom* atom){
115 >  void ZConsVisitor::visit(Atom* atom){
116      std::string prefix;
117      if(isZconstraint(atom->getGlobalIndex(), prefix))
118 <        internalVisit(atom, prefix);
119 < }
118 >      internalVisit(atom, prefix);
119 >  }
120  
121 < void ZConsVisitor::visit(DirectionalAtom* datom){
121 >  void ZConsVisitor::visit(DirectionalAtom* datom){
122      std::string prefix;
123  
124      if(isZconstraint(datom->getGlobalIndex(), prefix))
125 <        internalVisit(datom, prefix);
126 < }
125 >      internalVisit(datom, prefix);
126 >  }
127  
128 < void ZConsVisitor::visit(RigidBody* rb){
128 >  void ZConsVisitor::visit(RigidBody* rb){
129      std::string prefix;
130      std::vector<Atom*> atoms;
131  
132      atoms = rb->getAtoms();
133  
134      if(isZconstraint(atoms[0]->getGlobalIndex(), prefix))
135 <        internalVisit(rb, prefix);
136 < }
135 >      internalVisit(rb, prefix);
136 >  }
137  
138 < void ZConsVisitor::update(){
138 >  void ZConsVisitor::update(){
139      Molecule* mol;
140      Vector3d com;
141      ZConsState state;
142      std::map<int, ZConsState>::iterator i;
143      for ( i = zmolStates_.begin(); i != zmolStates_.end(); ++i) {
144 <        i->second = zsMoving;
144 >      i->second = zsMoving;
145      }
146      
147      readZconsFile(currSnapshot_->getTime());
# Line 149 | Line 149 | void ZConsVisitor::update(){
149      const std::vector<ZconsData>& fixedZmolData = zconsReader_->getFixedZMolData();
150      std::vector<ZconsData>::const_iterator j;
151      for (j = fixedZmolData.begin(); j != fixedZmolData.end(); ++j) {
152 <        std::map<int, ZConsState>::iterator k = zmolStates_.find(j->zmolIndex);
153 <        assert(k != zmolStates_.end());
154 <        k->second = zsFixed;
152 >      std::map<int, ZConsState>::iterator k = zmolStates_.find(j->zmolIndex);
153 >      assert(k != zmolStates_.end());
154 >      k->second = zsFixed;
155      }
156      
157 < }
157 >  }
158  
159 < void ZConsVisitor::readZconsFile(double time) {
159 >  void ZConsVisitor::readZconsFile(double time) {
160      double tempTime;
161      while(zconsReader_->hasNextFrame()){
162 <        tempTime = zconsReader_->getCurTime();
163 <        if(tempTime >= time) {
164 <            return;
165 <        }
162 >      tempTime = zconsReader_->getCurTime();
163 >      if(tempTime >= time) {
164 >        return;
165 >      }
166          
167 <        zconsReader_->readNextFrame();
167 >      zconsReader_->readNextFrame();
168      }
169 < }
169 >  }
170  
171 < void ZConsVisitor::internalVisit(StuntDouble* sd, const std::string& prefix){
171 >  void ZConsVisitor::internalVisit(StuntDouble* sd, const std::string& prefix){
172      GenericData* data;
173      AtomData* atomData;
174      AtomInfo* atomInfo;
# Line 177 | Line 177 | void ZConsVisitor::internalVisit(StuntDouble* sd, cons
177      //if there is not atom data, just skip it
178      data = sd->getPropertyByName("ATOMDATA");
179      if(data != NULL){
180 <        atomData = dynamic_cast<AtomData*>(data);  
181 <        if(atomData == NULL)
182 <            return;
183 <        }
180 >      atomData = dynamic_cast<AtomData*>(data);  
181 >      if(atomData == NULL)
182 >        return;
183 >    }
184      else
185 <        return;
185 >      return;
186  
187      for(atomInfo  = atomData->beginAtomInfo(iter); atomInfo; atomInfo = atomData->nextAtomInfo(iter))
188 <        (atomInfo->atomTypeName).insert(0, prefix);
189 < }
188 >      (atomInfo->atomTypeName).insert(0, prefix);
189 >  }
190  
191  
192 < bool ZConsVisitor::isZconstraint(int atomIndex, std::string& prefix){
192 >  bool ZConsVisitor::isZconstraint(int atomIndex, std::string& prefix){
193      std::string prefixString[] = {"ZF", "ZM"};
194      std::map<int, int>::iterator i = zatomToZmol_.find(atomIndex);
195      if (i ==  zatomToZmol_.end() ){
196 <        prefix = "";
197 <        return false;
196 >      prefix = "";
197 >      return false;
198      } else {
199  
200 <        std::map<int, ZConsState>::iterator j = zmolStates_.find(i->second);
201 <        assert(j !=zmolStates_.end());
202 <        prefix = prefixString[j->second];
203 <        return true;
200 >      std::map<int, ZConsState>::iterator j = zmolStates_.find(i->second);
201 >      assert(j !=zmolStates_.end());
202 >      prefix = prefixString[j->second];
203 >      return true;
204      }
205 < }
205 >  }
206  
207 < const std::string ZConsVisitor::toString(){
207 >  const std::string ZConsVisitor::toString(){
208      char buffer[65535];
209      std::string result;
210  
# Line 229 | Line 229 | const std::string ZConsVisitor::toString(){
229      std::map<int, ZConsState>::iterator i;
230      int j = 0;
231      for ( i = zmolStates_.begin(); i != zmolStates_.end(); ++i) {
232 <        sprintf(buffer ,"zconstraint molecule[%d] = %d\n", j++, i->first);
233 <        result += buffer;
232 >      sprintf(buffer ,"zconstraint molecule[%d] = %d\n", j++, i->first);
233 >      result += buffer;
234      }
235    
236      sprintf(buffer ,"------------------------------------------------------------------\n");
237      result += buffer;
238  
239      return result;
240 < }
240 >  }
241  
242  
243   }//namespace oopse

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