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Merge remote-tracking branch 'github/develop' into collected-small-fixes

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This commit is contained in:
Axel Kohlmeyer
2025-03-25 14:16:04 -04:00
parent bdf1b541b1 9e241df062
commit 2ea5cf1206
37 changed files with 1089 additions and 920 deletions
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35
unittest/commands/test_groups.cpp
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@ -256,6 +256,41 @@ TEST_F(GroupTest, Molecular)
command("group three include xxx"););
}
TEST_F(GroupTest, Bitmap)
{
atomic_system();
BEGIN_HIDE_OUTPUT();
command("group one region left");
command("group two region right");
command("group three empty");
command("group four region left");
command("group four region right");
command("group six subtract four one");
END_HIDE_OUTPUT();
int bm_one = group->get_bitmask_by_id(FLERR, "one", "unittest 1");
int bm_two = group->get_bitmask_by_id(FLERR, "two", "unittest 2");
int bm_three = group->get_bitmask_by_id(FLERR, "three", "unittest 3");
int bm_four = group->get_bitmask_by_id(FLERR, "four", "unittest 4");
int bm_six = group->get_bitmask_by_id(FLERR, "six", "unittest 6");
int nlocal = lmp->atom->natoms;
auto mask = lmp->atom->mask;
for (int i = 0; i < nlocal; ++i) {
if ((mask[i] & bm_one) && (mask[i] & bm_two)) {
EXPECT_NE((mask[i] & bm_four), 0);
}
if (mask[i] & bm_two) {
EXPECT_NE((mask[i] & bm_six), 0);
}
EXPECT_EQ((mask[i] & bm_three), 0);
}
TEST_FAILURE(".*ERROR: Group ID five requested by unittest 5 does not exist.*",
group->get_bitmask_by_id(FLERR, "five", "unittest 5"););
}
TEST_F(GroupTest, Dynamic)
{
atomic_system();