Gromacs
2016.6
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Classes | |
class | MindistAction |
Search action find the minimum distance. More... | |
Functions | |
void | computeBoundingBox (int posCount, const rvec x[], rvec origin, rvec size) |
Computes the bounding box for a set of positions. More... | |
bool | withinAction (int, real, const rvec) |
Search action to find the next neighbor. More... | |
void gmx::anonymous_namespace{nbsearch.cpp}::computeBoundingBox | ( | int | posCount, |
const rvec | x[], | ||
rvec | origin, | ||
rvec | size | ||
) |
Computes the bounding box for a set of positions.
[in] | posCount | Number of positions in x . |
[in] | x | Positions to compute the bounding box for. |
[out] | origin | Origin of the bounding box. |
[out] | size | Size of the bounding box. |
bool gmx::anonymous_namespace{nbsearch.cpp}::withinAction | ( | int | , |
real | , | ||
const rvec | |||
) |
Search action to find the next neighbor.
Used as the action for AnalysisNeighborhoodPairSearchImpl::searchNext() to find the next neighbor.
Simply breaks the loop on the first found neighbor.