| 35 | 
  | 
 *                                                                       | 
| 36 | 
  | 
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).              | 
| 37 | 
  | 
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).           | 
| 38 | 
< | 
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).           | 
| 38 | 
> | 
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).           | 
| 39 | 
  | 
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | 
  | 
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 | 
  | 
 */ | 
| 65 | 
  | 
 | 
| 66 | 
  | 
  void NameFinder::loadNames() { | 
| 67 | 
  | 
 | 
| 68 | 
– | 
    std::map<std::string, TreeNode*>::iterator foundIter; | 
| 68 | 
  | 
    SimInfo::MoleculeIterator mi; | 
| 69 | 
  | 
    Molecule* mol; | 
| 70 | 
  | 
    Molecule::AtomIterator ai; | 
| 228 | 
  | 
 | 
| 229 | 
  | 
  void NameFinder::matchInternalIndex(const std::string& name, int internalIndex, OpenMDBitSet& bs){ | 
| 230 | 
  | 
 | 
| 232 | 
– | 
    std::map<std::string, TreeNode*>::iterator foundIter; | 
| 231 | 
  | 
    SimInfo::MoleculeIterator mi; | 
| 232 | 
  | 
    Molecule* mol; | 
| 233 | 
  | 
 | 
| 249 | 
  | 
    } | 
| 250 | 
  | 
  } | 
| 251 | 
  | 
 | 
| 252 | 
< | 
  bool NameFinder::isInteger(const std::string str) { | 
| 252 | 
> | 
  bool NameFinder::isInteger(const std::string &str) { | 
| 253 | 
  | 
    for(unsigned int i = 0; i < str.size(); ++i){ | 
| 254 | 
  | 
      if (!std::isdigit(str[i])) { | 
| 255 | 
  | 
        return false; |