Example #1
0
int
AnalysisTemplate::startFrames(AnalysisDataParallelOptions opt,
                              const SelectionCollection &selections,
                              TrajectoryAnalysisModuleData **pdatap)
{
    *pdatap = NULL;
    ModuleData *pdata = new ModuleData();
    int rc = pdata->init(this, opt, selections);
    if (rc != 0)
    {
        delete pdata;
        return rc;
    }
    rc = NeighborhoodSearch::create(&pdata->_nb, _cutoff, _refsel->posCount());
    if (rc != 0)
    {
        delete pdata;
        return rc;
    }
    *pdatap = pdata;
    return rc;
}
 void init() {
   ClustData::init();
   mod.init();
   mod_on.init();
 }
 Cluster() { mod.init(); mod_on.init();}