C++ (Cpp) initTopology Beispiele

Beispiel #1

Datei: runnercommon.cpp Projekt: carryer123/gromacs

void
TrajectoryAnalysisRunnerCommon::initIndexGroups(SelectionCollection *selections,
                                                bool                 bUseDefaults)
{
    if (impl_->ndxfile_.empty())
    {
        if (!bUseDefaults)
        {
            selections->setIndexGroups(NULL);
            return;
        }
        initTopology(selections);
    }
    const char *const ndxfile
        = (!impl_->ndxfile_.empty() ? impl_->ndxfile_.c_str() : NULL);
    gmx_ana_indexgrps_init(&impl_->grps_, impl_->topInfo_.topology(), ndxfile);
    selections->setIndexGroups(impl_->grps_);
}

Beispiel #2

Datei: runnercommon.cpp Projekt: MelroLeandro/gromacs

 // From ITopologyProvider
 virtual t_topology *getTopology(bool required)
 {
     initTopology(required);
     return topInfo_.topology();
 }