138 |
|
//create Integrator |
139 |
|
|
140 |
|
Integrator* myIntegrator = IntegratorFactory::getInstance()->createIntegrator(toUpperCopy(simParams->getEnsemble()), info); |
141 |
< |
|
141 |
> |
|
142 |
|
if (myIntegrator == NULL) { |
143 |
|
sprintf(painCave.errMsg, "Integrator Factory can not create %s Integrator\n", |
144 |
|
simParams->getEnsemble().c_str()); |
152 |
|
|
153 |
|
|
154 |
|
//Zconstraint-Method |
155 |
< |
if (simParams->haveNZconstraints()) { |
156 |
< |
info->setNZconstraint(simParams->getNZconstraints()); |
155 |
> |
if (simParams->getNZconsStamps() > 0) { |
156 |
> |
info->setNZconstraint(simParams->getNZconsStamps()); |
157 |
|
ForceManager* fman = new ZconstraintForceManager(info); |
158 |
|
myIntegrator->setForceManager(fman); |
159 |
|
} |