| 50 |
|
if (simParams->haveHydroPropFile()) { |
| 51 |
|
hydroPropMap = parseFrictionFile(simParams->getHydroPropFile()); |
| 52 |
|
} else { |
| 53 |
< |
//error |
| 53 |
> |
sprintf( painCave.errMsg, |
| 54 |
> |
"HydroPropFile keyword must be set if Lagevin Dynamics is used\n"); |
| 55 |
> |
painCave.severity = OOPSE_ERROR; |
| 56 |
> |
painCave.isFatal = 1; |
| 57 |
> |
simError(); |
| 58 |
|
} |
| 59 |
|
|
| 60 |
|
SimInfo::MoleculeIterator i; |
| 68 |
|
if (iter != hydroPropMap.end()) { |
| 69 |
|
hydroProps_.push_back(iter->second); |
| 70 |
|
} else { |
| 71 |
< |
//error |
| 71 |
> |
sprintf( painCave.errMsg, |
| 72 |
> |
"Can not find resistance tensor for atom [%s]\n", integrableObject->getType().c_str()); |
| 73 |
> |
painCave.severity = OOPSE_ERROR; |
| 74 |
> |
painCave.isFatal = 1; |
| 75 |
> |
simError(); |
| 76 |
|
} |
| 77 |
|
|
| 78 |
|
} |