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37 * Implements test of exclusionblock routines
39 * \author Paul Bauer <paul.bauer.q@gmail.com>
40 * \ingroup module_topology
44 #include "gromacs/topology/exclusionblocks.h"
46 #include <gtest/gtest.h>
48 #include "gromacs/topology/block.h"
49 #include "gromacs/utility/arrayref.h"
50 #include "gromacs/utility/smalloc.h"
52 #include "testutils/cmdlinetest.h"
61 //! Add a new group to t_blocka
62 void addGroupToBlocka(t_blocka* b, gmx::ArrayRef<const int> indices)
64 srenew(b->index, b->nr + 2);
65 srenew(b->a, b->nra + indices.size());
66 for (index i = 0; i < indices.ssize(); i++)
68 b->a[b->nra++] = indices[i];
71 b->index[b->nr] = b->nra;
74 //! Fill ExclusionBlock with data.
75 int fillExclusionBlock(gmx::ArrayRef<ExclusionBlock> b)
77 std::vector<std::vector<int>> indices = { { 0, 4, 7 }, { 1, 5, 8, 10 }, { 2, 6, 9, 11, 12 } };
79 for (index i = 0; i < b.ssize(); i++)
81 b[i].atomNumber.clear();
82 for (const auto& j : indices[i])
84 b[i].atomNumber.push_back(j);
91 //! Fill the t_blocka with some datastructures
92 void makeTestBlockAData(t_blocka* ba)
96 std::vector<int> indices = { 12, 11, 9, 6, 2 };
97 addGroupToBlocka(ba, indices);
98 indices = { 10, 8, 5, 1 };
99 addGroupToBlocka(ba, indices);
100 indices = { 7, 4, 0 };
101 addGroupToBlocka(ba, indices);
104 class ExclusionBlockTest : public ::testing::Test
110 makeTestBlockAData(&ba_);
113 ~ExclusionBlockTest() override { done_blocka(&ba_); }
117 for (index i = 0; i < ssize(b_); i++)
119 int index = ba_.index[i];
120 for (int j = 0; j < b_[i].nra(); j++)
123 EXPECT_EQ(b_[i].atomNumber[j], ba_.a[pos])
124 << "Block mismatch at " << i << " , " << j << ".";
131 std::vector<ExclusionBlock> b_;
134 TEST_F(ExclusionBlockTest, ConvertBlockAToExclusionBlocks)
136 blockaToExclusionBlocks(&ba_, b_);
140 TEST_F(ExclusionBlockTest, ConvertExclusionBlockToBlocka)
142 int nra = fillExclusionBlock(b_);
143 srenew(ba_.a, nra + 1);
144 srenew(ba_.index, b_.size() + 1);
145 exclusionBlocksToBlocka(b_, &ba_);
149 TEST_F(ExclusionBlockTest, MergeExclusions)
151 mergeExclusions(&ba_, b_);
157 } // namespace testing