Gromacs
2024.4
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Search action find the minimum distance.
Used as the action for AnalysisNeighborhoodPairSearchImpl::searchNext() to find the nearest neighbor.
With this action, AnalysisNeighborhoodPairSearchImpl::searchNext() always returns false, and the output is put into the variables passed by pointer into the constructor. If no neighbors are found, the output variables are not modified, i.e., the caller must initialize them.
Public Member Functions | |
MindistAction (int *closestPoint, real *minDist2, rvec *dx) | |
Initializes the action with given output locations. More... | |
MindistAction (const MindistAction &)=default | |
Copies the action. | |
bool | operator() (int i, real r2, const rvec dx) |
Processes a neighbor to find the nearest point. | |
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inline |
Initializes the action with given output locations.
[out] | closestPoint | Index of the closest reference location. |
[out] | minDist2 | Minimum distance squared. |
[out] | dx | Shortest distance vector. |
The constructor call does not modify the pointed values, but only stores the pointers for later use. See the class description for additional semantics.