/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
for (int j = 0; j < refPosCount_; ++j)
{
rvec dx;
- if (pbc != NULL)
+ if (pbc != nullptr)
{
pbc_dx(pbc, i->x, refPos_[j], dx);
}
exclusionIds_.begin());
excls_.nr = 0;
- excls_.index = NULL;
+ excls_.index = nullptr;
excls_.nra = 0;
- excls_.a = NULL;
+ excls_.a = nullptr;
excls_.nalloc_index = 0;
excls_.nalloc_a = 0;
}
gmx::AnalysisNeighborhoodSearch *search,
const NeighborhoodSearchTestData &data)
{
- testPairSearchFull(search, data, data.testPositions(), NULL,
+ testPairSearchFull(search, data, data.testPositions(), nullptr,
gmx::EmptyArrayRef(), gmx::EmptyArrayRef());
}
gmx::AnalysisNeighborhoodSearch search =
nb->initSearch(&data.pbc_,
data.refPositions().indexed(refIndices));
- testPairSearchFull(&search, data, data.testPositions(), NULL,
+ testPairSearchFull(&search, data, data.testPositions(), nullptr,
refIndices, testIndices);
}
}
remainingTestPositions.erase(testIndex);
refPairs = data.testPositions_[testIndex].refPairs;
- if (excls != NULL)
+ if (excls != nullptr)
{
ExclusionsHelper::markExcludedPairs(&refPairs, testIndex, excls);
}
{
data_.generateRandomRefPositions(10);
data_.generateRandomTestPositions(5);
- data_.computeReferences(NULL);
+ data_.computeReferences(nullptr);
}
private:
data_.generateRandomRefPositions(1000);
data_.generateRandomTestPositions(100);
set_pbc(&data_.pbc_, epbcNONE, data_.box_);
- data_.computeReferences(NULL);
+ data_.computeReferences(nullptr);
}
private:
nb_.setCutoff(data.cutoff_);
gmx::AnalysisNeighborhoodSearch search =
- nb_.initSearch(NULL, data.refPositions());
+ nb_.initSearch(nullptr, data.refPositions());
ASSERT_EQ(gmx::AnalysisNeighborhood::eSearchMode_Simple, search.mode());
testIsWithin(&search, data);