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 '[' : |