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complete region handling refactor

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This commit is contained in:
Axel Kohlmeyer
2022-04-16 00:12:43 -04:00
parent cbb4abc55c
commit aa4787f604
39 changed files with 1504 additions and 1664 deletions
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11
unittest/commands/test_groups.cpp
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@ -151,7 +151,8 @@ TEST_F(GroupTest, RegionClear)
ASSERT_EQ(group->count_all(), lmp->atom->natoms);
TEST_FAILURE(".*ERROR: Illegal group command.*", command("group three region left xxx"););
TEST_FAILURE(".*ERROR: Group region ID does not exist.*", command("group four region dummy"););
TEST_FAILURE(".*ERROR: Group region dummy does not exist.*",
command("group four region dummy"););
BEGIN_HIDE_OUTPUT();
command("group one clear");
@ -196,8 +197,8 @@ TEST_F(GroupTest, SelectRestart)
ASSERT_EQ(group->count(group->find("four")), 32);
ASSERT_EQ(group->count(group->find("five")), 16);
ASSERT_EQ(group->count(group->find("six")), 8);
ASSERT_EQ(group->count(group->find("half"), domain->find_region("top")), 8);
ASSERT_DOUBLE_EQ(group->mass(group->find("half"), domain->find_region("top")), 8.0);
ASSERT_EQ(group->count(group->find("half"), domain->get_region_by_id("top")), 8);
ASSERT_DOUBLE_EQ(group->mass(group->find("half"), domain->get_region_by_id("top")), 8.0);
BEGIN_HIDE_OUTPUT();
command("write_restart group.restart");
@ -243,9 +244,9 @@ TEST_F(GroupTest, Molecular)
ASSERT_EQ(group->count(group->find("two")), 16);
ASSERT_EQ(group->count(group->find("three")), 15);
ASSERT_DOUBLE_EQ(group->mass(group->find("half")), 40);
ASSERT_DOUBLE_EQ(group->mass(group->find("half"), domain->find_region("top")), 10);
ASSERT_DOUBLE_EQ(group->mass(group->find("half"), domain->get_region_by_id("top")), 10);
ASSERT_NEAR(group->charge(group->find("top")), 0, 1.0e-14);
ASSERT_NEAR(group->charge(group->find("right"), domain->find_region("top")), 0, 1.0e-14);
ASSERT_NEAR(group->charge(group->find("right"), domain->get_region_by_id("top")), 0, 1.0e-14);
TEST_FAILURE(".*ERROR: Illegal group command.*", command("group three include xxx"););
}