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root/group/trunk/OOPSE-2.0/src/visitors/AtomVisitor.cpp
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Comparing trunk/OOPSE-2.0/src/visitors/AtomVisitor.cpp (file contents):
Revision 2069 by tim, Tue Mar 1 20:10:14 2005 UTC vs.
Revision 2091 by gezelter, Tue Mar 8 21:07:49 2005 UTC

# Line 132 | Line 132 | void SSDAtomVisitor::visit(DirectionalAtom *datom) {
132      newVec = rotTrans * u;
133  
134      atomInfo = new AtomInfo;
135 <    atomInfo->AtomType = "X";
135 >    atomInfo->atomTypeName = "X";
136      atomInfo->pos[0] = pos[0];
137      atomInfo->pos[1] = pos[1];
138      atomInfo->pos[2] = pos[2];
# Line 147 | Line 147 | void SSDAtomVisitor::visit(DirectionalAtom *datom) {
147      newVec = rotTrans * ox;
148  
149      atomInfo = new AtomInfo;
150 <    atomInfo->AtomType = "O";
150 >    atomInfo->atomTypeName = "O";
151      atomInfo->pos[0] = pos[0] + newVec[0];
152      atomInfo->pos[1] = pos[1] + newVec[1];
153      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 160 | Line 160 | void SSDAtomVisitor::visit(DirectionalAtom *datom) {
160      //matVecMul3(rotTrans, h1, newVec);
161      newVec = rotTrans * h1;
162      atomInfo = new AtomInfo;
163 <    atomInfo->AtomType = "H";
163 >    atomInfo->atomTypeName = "H";
164      atomInfo->pos[0] = pos[0] + newVec[0];
165      atomInfo->pos[1] = pos[1] + newVec[1];
166      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 173 | Line 173 | void SSDAtomVisitor::visit(DirectionalAtom *datom) {
173      //matVecMul3(rotTrans, h2, newVec);
174      newVec = rotTrans * h2;
175      atomInfo = new AtomInfo;
176 <    atomInfo->AtomType = "H";
176 >    atomInfo->atomTypeName = "H";
177      atomInfo->pos[0] = pos[0] + newVec[0];
178      atomInfo->pos[1] = pos[1] + newVec[1];
179      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 267 | Line 267 | void LinearAtomVisitor::visit(DirectionalAtom* datom){
267  
268      newVec = rotTrans * c1;
269      atomInfo = new AtomInfo;
270 <    atomInfo->AtomType = "C";
270 >    atomInfo->atomTypeName = "C";
271      atomInfo->pos[0] = pos[0] + newVec[0];
272      atomInfo->pos[1] = pos[1] + newVec[1];
273      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 278 | Line 278 | void LinearAtomVisitor::visit(DirectionalAtom* datom){
278  
279      newVec = rotTrans * c2;
280      atomInfo = new AtomInfo;
281 <    atomInfo->AtomType = "C";
281 >    atomInfo->atomTypeName = "C";
282      atomInfo->pos[0] = pos[0] + newVec[0];
283      atomInfo->pos[1] = pos[1] + newVec[1];
284      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 289 | Line 289 | void LinearAtomVisitor::visit(DirectionalAtom* datom){
289  
290      newVec = rotTrans * c3;
291      atomInfo = new AtomInfo;
292 <    atomInfo->AtomType = "C";
292 >    atomInfo->atomTypeName = "C";
293      atomInfo->pos[0] = pos[0] + newVec[0];
294      atomInfo->pos[1] = pos[1] + newVec[1];
295      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 300 | Line 300 | void LinearAtomVisitor::visit(DirectionalAtom* datom){
300  
301      newVec = rotTrans * c4;
302      atomInfo = new AtomInfo;
303 <    atomInfo->AtomType = "C";
303 >    atomInfo->atomTypeName = "C";
304      atomInfo->pos[0] = pos[0] + newVec[0];
305      atomInfo->pos[1] = pos[1] + newVec[1];
306      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 355 | Line 355 | void DefaultAtomVisitor::visit(Atom *atom) {
355      atomData->setID("ATOMDATA");
356  
357      pos = atom->getPos();
358 <    atomInfo->AtomType = atom->getType();
358 >    atomInfo->atomTypeName = atom->getType();
359 >    printf("setting a type to %s\n", atom->getType().c_str());
360      atomInfo->pos[0] = pos[0];
361      atomInfo->pos[1] = pos[1];
362      atomInfo->pos[2] = pos[2];
# Line 386 | Line 387 | void DefaultAtomVisitor::visit(DirectionalAtom *datom)
387      atomData->setID("ATOMDATA");
388      atomInfo = new AtomInfo;
389  
390 <    atomInfo->AtomType = datom->getType();
390 >    atomInfo->atomTypeName = datom->getType();
391      atomInfo->pos[0] = pos[0];
392      atomInfo->pos[1] = pos[1];
393      atomInfo->pos[2] = pos[2];

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