| 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 | 
  | 
    }             | 
| 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()); | 
| 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(); |