Example #1
0
void TrajectoryAnalysisModule::registerAnalysisDataset(AnalysisData *data,
                                                       const char   *name)
{
    // TODO: Strong exception safety should be possible to implement.
    registerBasicDataset(data, name);
    impl_->analysisDatasets_[name] = data;
}
Example #2
0
Angle::Angle()
    : TrajectoryAnalysisModule(name, shortDescription),
      sel1info_(NULL), sel2info_(NULL), natoms1_(0), natoms2_(0)
{
    averageModule_.reset(new AnalysisDataFrameAverageModule());
    angles_.addModule(averageModule_);

    registerAnalysisDataset(&angles_, "angle");
    registerBasicDataset(averageModule_.get(), "average");
}