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(); |