| 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 | 
  | 
 */ | 
| 52 | 
  | 
    lineNumbers.clear(); | 
| 53 | 
  | 
    lineIndices.clear(); | 
| 54 | 
  | 
    aatokenCompiled.clear(); | 
| 55 | 
< | 
         | 
| 55 | 
> | 
 | 
| 56 | 
  | 
    if (internalCompile()) { | 
| 57 | 
  | 
      return true; | 
| 58 | 
  | 
    } | 
| 59 | 
< | 
     | 
| 60 | 
< | 
    int icharEnd; | 
| 59 | 
> | 
       | 
| 60 | 
> | 
    std::size_t icharEnd; | 
| 61 | 
  | 
    if ((icharEnd = script.find('\r', ichCurrentCommand)) == std::string::npos && | 
| 62 | 
  | 
        (icharEnd = script.find('\n', ichCurrentCommand)) == std::string::npos) { | 
| 63 | 
  | 
      icharEnd = script.size(); | 
| 119 | 
  | 
        //    ltoken.push_back(Token(Token::string, str)); | 
| 120 | 
  | 
        //    continue; | 
| 121 | 
  | 
        //} | 
| 122 | 
< | 
        if (lookingAtDecimal((tokCommand & Token::negnums) != 0)) { | 
| 122 | 
> | 
        //if (lookingAtDecimal((tokCommand & Token::negnums) != 0)) { | 
| 123 | 
> | 
        if (lookingAtDecimal((tokCommand) != 0)) { | 
| 124 | 
  | 
          float value = lexi_cast<float>(script.substr(ichToken, cchToken));         | 
| 125 | 
  | 
          ltoken.push_back(Token(Token::decimal, boost::any(value))); | 
| 126 | 
  | 
          continue; | 
| 127 | 
  | 
        } | 
| 128 | 
< | 
        if (lookingAtInteger((tokCommand & Token::negnums) != 0)) { | 
| 128 | 
> | 
        //if (lookingAtInteger((tokCommand & Token::negnums) != 0)) { | 
| 129 | 
> | 
        if (lookingAtInteger((tokCommand) != 0)) { | 
| 130 | 
  | 
 | 
| 131 | 
  | 
          int val = lexi_cast<int>(script.substr(ichToken, cchToken)); | 
| 132 | 
  | 
          ltoken.push_back(Token(Token::integer,   boost::any(val))); | 
| 179 | 
  | 
        continue; | 
| 180 | 
  | 
      } | 
| 181 | 
  | 
 | 
| 182 | 
< | 
      if (ltoken.size() == 0) { | 
| 182 | 
> | 
      if (ltoken.empty()) { | 
| 183 | 
  | 
        return commandExpected(); | 
| 184 | 
  | 
      } | 
| 185 | 
  | 
         | 
| 374 | 
  | 
      return false; | 
| 375 | 
  | 
    } | 
| 376 | 
  | 
    cchToken = ichT - ichToken; | 
| 377 | 
< | 
    return true; | 
| 377 | 
> | 
    return isInteger(script.substr(ichToken, cchToken).c_str()); | 
| 378 | 
  | 
  } | 
| 379 | 
  | 
 | 
| 380 | 
  | 
  bool SelectionCompiler::lookingAtLookupToken() { | 
| 692 | 
  | 
    if (token.tok == Token::integer) { | 
| 693 | 
  | 
      int index = boost::any_cast<int>(token.value); | 
| 694 | 
  | 
      int tok = tokPeek(); | 
| 693 | 
– | 
      std::cout << "Token::to is " << Token::to << ", tok = " << tok << std::endl; | 
| 695 | 
  | 
      if (tok == Token::to) { | 
| 696 | 
  | 
        tokenNext(); | 
| 697 | 
  | 
        tok = tokPeek(); |