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()) |