| 2 |
|
#include "AtomVisitor.hpp" |
| 3 |
|
#include "DirectionalAtom.hpp" |
| 4 |
|
#include "MatVec3.h" |
| 5 |
+ |
#include "RigidBody.hpp" |
| 6 |
|
|
| 7 |
+ |
void BaseAtomVisitor::visit(RigidBody* rb){ |
| 8 |
+ |
//vector<Atom*> myAtoms; |
| 9 |
+ |
//vector<Atom*>::iterator atomIter; |
| 10 |
+ |
|
| 11 |
+ |
//myAtoms = rb->getAtoms(); |
| 12 |
+ |
|
| 13 |
+ |
//for(atomIter = myAtoms.begin(); atomIter != myAtoms.end(); ++atomIter) |
| 14 |
+ |
// (*atomIter)->accept(this); |
| 15 |
+ |
} |
| 16 |
+ |
|
| 17 |
|
void BaseAtomVisitor::setVisited(Atom* atom){ |
| 18 |
|
GenericData* data; |
| 19 |
|
data = atom->getProperty("VISITED"); |
| 149 |
|
return; |
| 150 |
|
|
| 151 |
|
atomInfo =new AtomInfo; |
| 152 |
+ |
|
| 153 |
+ |
atomData = new AtomData; |
| 154 |
+ |
atomData->setID("ATOMDATA"); |
| 155 |
|
|
| 156 |
|
atom->getPos(pos); |
| 157 |
|
atomInfo->AtomType = atom->getType(); |
| 162 |
|
atomInfo->dipole[1] = 0.0; |
| 163 |
|
atomInfo->dipole[2] = 0.0; |
| 164 |
|
|
| 165 |
< |
atomData = new AtomData; |
| 166 |
< |
atomData->setID("ATOMDATA"); |
| 165 |
> |
|
| 166 |
> |
atomData->addAtomInfo(atomInfo); |
| 167 |
> |
|
| 168 |
|
atom->addProperty(atomData); |
| 169 |
|
|
| 170 |
|
setVisited(atom); |
| 181 |
|
datom->getPos(pos); |
| 182 |
|
datom->getU(u); |
| 183 |
|
|
| 184 |
+ |
atomData = new AtomData; |
| 185 |
+ |
atomData->setID("ATOMDATA"); |
| 186 |
|
atomInfo =new AtomInfo; |
| 187 |
|
|
| 188 |
|
atomInfo->AtomType = datom->getType(); |
| 193 |
|
atomInfo->dipole[1] = u[1]; |
| 194 |
|
atomInfo->dipole[2] = u[2]; |
| 195 |
|
|
| 196 |
< |
atomData = new AtomData; |
| 197 |
< |
atomData->setID("ATOMDATA"); |
| 196 |
> |
atomData->addAtomInfo(atomInfo); |
| 197 |
> |
|
| 198 |
|
datom->addProperty(atomData); |
| 199 |
|
|
| 200 |
|
setVisited(datom); |
