Gromacs
2024.3
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#include "gmxpre.h"
#include "gromacs/selection/nbsearch.h"
#include <cmath>
#include <algorithm>
#include <limits>
#include <map>
#include <numeric>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/math/functions.h"
#include "gromacs/math/vec.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/random/threefry.h"
#include "gromacs/random/uniformrealdistribution.h"
#include "gromacs/topology/block.h"
#include "gromacs/utility/listoflists.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/testasserts.h"
Tests selection neighborhood searching.
Typedefs | |
typedef std::vector < NeighborhoodSearchTestData::RefPair > | anonymous_namespace{nbsearch.cpp}::RefPairList |
Shorthand for a collection of reference pairs. | |
Functions | |
std::string | anonymous_namespace{nbsearch.cpp}::formatVector (const rvec x) |
Helper function for formatting test failure messages. | |
void | anonymous_namespace{nbsearch.cpp}::checkAllPairsFound (const RefPairList &refPairs, const std::vector< gmx::RVec > &refPos, int testPosIndex, const rvec testPos) |
Helper function to check that all expected pairs were found. | |