| 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). |
| 39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
| 39 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
> |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 42 |
|
|
| 43 |
|
#include "selection/SelectionCompiler.hpp" |
| 441 |
|
|
| 442 |
|
bool SelectionCompiler::compileExpression() { |
| 443 |
|
/** todo */ |
| 444 |
< |
int i = 1; |
| 444 |
> |
unsigned int i = 1; |
| 445 |
|
int tokCommand = atokenCommand[0].tok; |
| 446 |
|
if (tokCommand == Token::define) { |
| 447 |
|
i = 2; |
| 573 |
|
// fall into the code and below and just add the token |
| 574 |
|
case Token::all: |
| 575 |
|
case Token::none: |
| 576 |
+ |
case Token::hull: |
| 577 |
|
return addTokenToPostfix(tokenNext()); |
| 578 |
|
case Token::leftparen: |
| 579 |
|
tokenNext(); |
| 666 |
|
bool SelectionCompiler::isNameValid(const std::string& name) { |
| 667 |
|
int nbracket = 0; |
| 668 |
|
int ndot = 0; |
| 669 |
< |
for (int i =0 ; i < name.size(); ++i) { |
| 669 |
> |
for (unsigned int i = 0 ; i < name.size(); ++i) { |
| 670 |
|
switch(name[i]) { |
| 671 |
|
|
| 672 |
|
case '[' : |
