| 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 |
|
*/ |
| 527 |
|
|
| 528 |
|
StringTokenizer tokenizer(line); |
| 529 |
|
int nTokens; |
| 530 |
< |
|
| 530 |
> |
|
| 531 |
|
nTokens = tokenizer.countTokens(); |
| 532 |
|
|
| 533 |
|
if (nTokens < 2) { |
| 647 |
|
|
| 648 |
|
void DumpReader::readSiteData(std::istream& inputStream) { |
| 649 |
|
|
| 650 |
– |
inputStream.getline(buffer, bufferSize); |
| 650 |
|
std::string line(buffer); |
| 651 |
+ |
|
| 652 |
+ |
// We already found the starting <SiteData> tag or we wouldn't be |
| 653 |
+ |
// here, so just start parsing until we get to the ending |
| 654 |
+ |
// </SiteData> tag: |
| 655 |
|
|
| 653 |
– |
if (line.find("<SiteData>") == std::string::npos) { |
| 654 |
– |
// site data isn't required for a simulation, so skip |
| 655 |
– |
return; |
| 656 |
– |
} |
| 657 |
– |
|
| 656 |
|
while(inputStream.getline(buffer, bufferSize)) { |
| 657 |
|
line = buffer; |
| 658 |
|
|
