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();}