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root/OpenMD/trunk/src/selection/SelectionEvaluator.cpp
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Comparing trunk/src/selection/SelectionEvaluator.cpp (file contents):
Revision 1411 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1412 by gezelter, Mon Mar 22 18:45:39 2010 UTC

# Line 51 | Line 51 | namespace OpenMD {
51  
52  
53    SelectionEvaluator::SelectionEvaluator(SimInfo* si)
54 <    : info(si), nameFinder(info), distanceFinder(info), indexFinder(info),
54 >    : info(si), nameFinder(info), distanceFinder(info), hullFinder(info),
55 >      indexFinder(info),
56        isLoaded_(false){    
57        nStuntDouble = info->getNGlobalAtoms() + info->getNGlobalRigidBodies();
58      }            
# Line 180 | Line 181 | namespace OpenMD {
181          break;
182        case Token::within:
183          withinInstruction(instruction, stack.top());
184 +        break;
185 +      case Token::hull:
186 +        stack.push(hull());
187          break;
188          //case Token::selected:
189          //  stack.push(getSelectionSet());
# Line 436 | Line 440 | namespace OpenMD {
440          bs = indexFinder.find(indexRange.first, indexRange.second);
441        }
442      }
443 +
444 +    return bs;
445 +  }
446  
447 +
448 +  OpenMDBitSet SelectionEvaluator::hull() {
449 +    OpenMDBitSet bs(nStuntDouble);
450 +    
451 +    bs = hullFinder.findHull();
452 +    
453      return bs;
454    }
455  
456  
457 +
458    RealType SelectionEvaluator::getCharge(Atom* atom) {
459      RealType charge =0.0;
460      AtomType* atomType = atom->getAtomType();

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