namespace analysismodules
{
-const char Distance::name[] = "distance";
+const char Distance::name[] = "distance";
const char Distance::shortDescription[] =
"Calculate distances";
void
Distance::initAnalysis(const TrajectoryAnalysisSettings &settings,
- const TopologyInformation & /*top*/)
+ const TopologyInformation & /*top*/)
{
if (sel_[0].posCount() != 1)
{
Distance::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc,
TrajectoryAnalysisModuleData *pdata)
{
- AnalysisDataHandle dh = pdata->dataHandle(data_);
- const Selection &sel1 = pdata->parallelSelection(sel_[0]);
- const Selection &sel2 = pdata->parallelSelection(sel_[1]);
- rvec dx;
- real r;
+ AnalysisDataHandle dh = pdata->dataHandle(data_);
+ const Selection &sel1 = pdata->parallelSelection(sel_[0]);
+ const Selection &sel2 = pdata->parallelSelection(sel_[1]);
+ rvec dx;
+ real r;
const SelectionPosition &p1 = sel1.position(0);
const SelectionPosition &p2 = sel2.position(0);