| 211 |
|
} |
| 212 |
|
} |
| 213 |
|
} |
| 214 |
+ |
|
| 215 |
+ |
if (!simParams->haveTargetTemp()) { |
| 216 |
+ |
sprintf(painCave.errMsg, "You can't use LangevinDynamics without a targetTemp!\n"); |
| 217 |
+ |
painCave.isFatal = 1; |
| 218 |
+ |
painCave.severity = OOPSE_ERROR; |
| 219 |
+ |
simError(); |
| 220 |
+ |
} |
| 221 |
+ |
|
| 222 |
+ |
if (!simParams->haveViscosity()) { |
| 223 |
+ |
sprintf(painCave.errMsg, "You can't use LangevinDynamics without a viscosity!\n"); |
| 224 |
+ |
painCave.isFatal = 1; |
| 225 |
+ |
painCave.severity = OOPSE_ERROR; |
| 226 |
+ |
simError(); |
| 227 |
+ |
} |
| 228 |
+ |
|
| 229 |
+ |
|
| 230 |
|
HydroProp* currHydroProp = currShape->getHydroProp(simParams->getViscosity(),simParams->getTargetTemp()); |
| 231 |
|
std::map<std::string, HydroProp*>::iterator iter = hydroPropMap.find(integrableObject->getType()); |
| 232 |
|
if (iter != hydroPropMap.end()) |