| 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). |
| 39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
| 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 |
|
*/ |
| 42 |
|
|
| 43 |
|
#include "selection/SelectionCompiler.hpp" |
| 56 |
|
if (internalCompile()) { |
| 57 |
|
return true; |
| 58 |
|
} |
| 59 |
< |
|
| 59 |
> |
|
| 60 |
|
int icharEnd; |
| 61 |
|
if ((icharEnd = script.find('\r', ichCurrentCommand)) == std::string::npos && |
| 62 |
|
(icharEnd = script.find('\n', ichCurrentCommand)) == std::string::npos) { |
| 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, ichT).c_str()); |
| 378 |
|
} |
| 379 |
|
|
| 380 |
|
bool SelectionCompiler::lookingAtLookupToken() { |
| 443 |
|
|
| 444 |
|
bool SelectionCompiler::compileExpression() { |
| 445 |
|
/** todo */ |
| 446 |
< |
int i = 1; |
| 446 |
> |
unsigned int i = 1; |
| 447 |
|
int tokCommand = atokenCommand[0].tok; |
| 448 |
|
if (tokCommand == Token::define) { |
| 449 |
|
i = 2; |
| 668 |
|
bool SelectionCompiler::isNameValid(const std::string& name) { |
| 669 |
|
int nbracket = 0; |
| 670 |
|
int ndot = 0; |
| 671 |
< |
for (int i =0 ; i < name.size(); ++i) { |
| 671 |
> |
for (unsigned int i = 0 ; i < name.size(); ++i) { |
| 672 |
|
switch(name[i]) { |
| 673 |
|
|
| 674 |
|
case '[' : |
| 692 |
|
if (token.tok == Token::integer) { |
| 693 |
|
int index = boost::any_cast<int>(token.value); |
| 694 |
|
int tok = tokPeek(); |
| 692 |
– |
std::cout << "Token::to is " << Token::to << ", tok = " << tok << std::endl; |
| 695 |
|
if (tok == Token::to) { |
| 696 |
|
tokenNext(); |
| 697 |
|
tok = tokPeek(); |