| 360 |
|
bool hasCoordinateOrigin = rnemdParams->haveCoordinateOrigin(); |
| 361 |
|
|
| 362 |
|
if (hasCoordinateOrigin) { |
| 363 |
< |
coordinateOrigin_ = rnemdParams->getCoordinateOrigin(); |
| 363 |
> |
std::vector<RealType> co = rnemdParams->getCoordinateOrigin(); |
| 364 |
> |
if (co.size() != 3) { |
| 365 |
> |
sprintf(painCave.errMsg, |
| 366 |
> |
"RNEMD: Incorrect number of parameters specified for coordinateOrigin.\n" |
| 367 |
> |
"\tthere should be 3 parameters, but %lu were specified.\n", |
| 368 |
> |
co.size()); |
| 369 |
> |
painCave.isFatal = 1; |
| 370 |
> |
simError(); |
| 371 |
> |
} |
| 372 |
> |
coordinateOrigin_.x() = co[0]; |
| 373 |
> |
coordinateOrigin_.y() = co[1]; |
| 374 |
> |
coordinateOrigin_.z() = co[2]; |
| 375 |
|
} else { |
| 376 |
|
coordinateOrigin_ = V3Zero; |
| 377 |
|
} |
