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group tester covers now about 40% of group.cpp

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This commit is contained in:
Axel Kohlmeyer
2021-03-14 00:49:35 -05:00
parent 0062645cbc
commit 5e18518f7a
1 changed files with 192 additions and 102 deletions
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294
unittest/commands/test_groups.cpp
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@ -18,7 +18,7 @@
#include "group.h"
#include "info.h"
#include "input.h"
#include "regrion.h"
#include "region.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
@ -62,6 +62,8 @@ using ::testing::StrEq;
class GroupTest : public ::testing::Test {
protected:
LAMMPS *lmp;
Group *group;
Domain *domain;
void SetUp() override
{
@ -71,6 +73,8 @@ protected:
if (!verbose) ::testing::internal::CaptureStdout();
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
if (!verbose) ::testing::internal::GetCapturedStdout();
group = lmp->group;
domain = lmp->domain;
}
void TearDown() override
@ -81,36 +85,44 @@ protected:
std::cout.flush();
}
void command(const std::string &cmd) { lmp->input->one(cmd); }
void atomic_system()
{
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("units real");
lmp->input->one("lattice sc 1.0 origin 0.125 0.125 0.125");
lmp->input->one("region box block -2 2 -2 2 -2 2");
lmp->input->one("create_box 8 box");
lmp->input->one("create_atoms 1 box");
lmp->input->one("mass * 1.0");
lmp->input->one("region left block -2.0 -1.0 INF INF INF INF");
lmp->input->one("region right block 0.5 2.0 INF INF INF INF");
lmp->input->one("set region left type 2");
lmp->input->one("set region right type 3");
command("units real");
command("lattice sc 1.0 origin 0.125 0.125 0.125");
command("region box block -2 2 -2 2 -2 2");
command("create_box 8 box");
command("create_atoms 1 box");
command("mass * 1.0");
command("region left block -2.0 -1.0 INF INF INF INF");
command("region right block 0.5 2.0 INF INF INF INF");
command("region top block INF INF -2.0 -1.0 INF INF");
command("set region left type 2");
command("set region right type 3");
if (!verbose) ::testing::internal::GetCapturedStdout();
}
void molecular_system()
{
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("atom_style full");
command("fix props all property/atom mol rmass q");
atomic_system();
command("variable molid atom floor(id/4)+1");
command("variable charge atom 2.0*sin(PI/32*id)");
command("set atom * mol v_molid");
command("set atom * charge v_charge");
command("set type 1 mass 0.5");
command("set type 2*4 mass 2.0");
if (!verbose) ::testing::internal::GetCapturedStdout();
}
};
TEST_F(GroupTest, NoBox)
{
ASSERT_EQ(lmp->group->ngroup, 1);
TEST_FAILURE(".*ERROR: Group command before simulation box.*",
lmp->input->one("group none empty"););
ASSERT_EQ(group->ngroup, 1);
TEST_FAILURE(".*ERROR: Group command before simulation box.*", command("group none empty"););
}
TEST_F(GroupTest, EmptyDelete)
@ -118,37 +130,40 @@ TEST_F(GroupTest, EmptyDelete)
atomic_system();
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("group new1 empty");
lmp->input->one("group new2 empty");
lmp->input->one("group new2 empty");
lmp->input->one("group new3 empty");
lmp->input->one("group new4 empty");
lmp->input->one("group new5 empty");
lmp->input->one("group new6 empty");
lmp->input->one("fix 1 new2 nve");
lmp->input->one("compute 1 new3 ke");
lmp->input->one("dump 1 new4 atom 50 dump.melt");
lmp->input->one("atom_modify first new5");
command("group new1 empty");
command("group new2 empty");
command("group new2 empty");
command("group new3 empty");
command("group new4 empty");
command("group new5 empty");
command("group new6 empty");
command("fix 1 new2 nve");
command("compute 1 new3 ke");
command("dump 1 new4 atom 50 dump.melt");
command("atom_modify first new5");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->group->ngroup, 7);
TEST_FAILURE(".*ERROR: Illegal group command.*", lmp->input->one("group new3 empty xxx"););
ASSERT_EQ(group->ngroup, 7);
TEST_FAILURE(".*ERROR: Illegal group command.*", command("group new3 xxx"););
TEST_FAILURE(".*ERROR: Illegal group command.*", command("group new3 empty xxx"););
TEST_FAILURE(".*ERROR: Group command requires atom attribute molecule.*",
command("group new2 include molecule"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->group->assign("new1 delete");
group->assign("new1 delete");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->group->ngroup, 6);
ASSERT_EQ(group->ngroup, 6);
TEST_FAILURE(".*ERROR: Illegal group command.*", lmp->input->one("group new2 delete xxx"););
TEST_FAILURE(".*ERROR: Cannot delete group all.*", lmp->input->one("group all delete"););
TEST_FAILURE(".*ERROR: Could not find group delete.*", lmp->input->one("group new0 delete"););
TEST_FAILURE(".*ERROR: Illegal group command.*", command("group new2 delete xxx"););
TEST_FAILURE(".*ERROR: Cannot delete group all.*", command("group all delete"););
TEST_FAILURE(".*ERROR: Could not find group delete.*", command("group new0 delete"););
TEST_FAILURE(".*ERROR: Cannot delete group currently used by a fix.*",
lmp->input->one("group new2 delete"););
command("group new2 delete"););
TEST_FAILURE(".*ERROR: Cannot delete group currently used by a compute.*",
lmp->input->one("group new3 delete"););
command("group new3 delete"););
TEST_FAILURE(".*ERROR: Cannot delete group currently used by a dump.*",
lmp->input->one("group new4 delete"););
command("group new4 delete"););
TEST_FAILURE(".*ERROR: Cannot delete group currently used by atom_modify.*",
lmp->input->one("group new5 delete"););
command("group new5 delete"););
}
TEST_F(GroupTest, RegionClear)
@ -156,39 +171,37 @@ TEST_F(GroupTest, RegionClear)
atomic_system();
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("group one region left");
lmp->input->one("group two region right");
lmp->input->one("group three empty");
lmp->input->one("group four region left");
lmp->input->one("group four region right");
command("group one region left");
command("group two region right");
command("group three empty");
command("group four region left");
command("group four region right");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->group->count(lmp->group->find("one")), 16);
ASSERT_EQ(lmp->group->count(lmp->group->find("two")), 16);
ASSERT_EQ(lmp->group->count(lmp->group->find("three")), 0);
ASSERT_EQ(lmp->group->count(lmp->group->find("four")), 32);
ASSERT_EQ(lmp->group->count(lmp->group->find("all")), lmp->atom->natoms);
ASSERT_EQ(lmp->group->count_all(), lmp->atom->natoms);
ASSERT_EQ(group->count(group->find("one")), 16);
ASSERT_EQ(group->count(group->find("two")), 16);
ASSERT_EQ(group->count(group->find("three")), 0);
ASSERT_EQ(group->count(group->find("four")), 32);
ASSERT_EQ(group->count(group->find("all")), lmp->atom->natoms);
ASSERT_EQ(group->count_all(), lmp->atom->natoms);
TEST_FAILURE(".*ERROR: Illegal group command.*",
lmp->input->one("group three region left xxx"););
TEST_FAILURE(".*ERROR: Group region ID does not exist.*",
lmp->input->one("group four region top"););
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"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("group one clear");
lmp->input->one("group two clear");
lmp->input->one("group three clear");
lmp->input->one("group four clear");
command("group one clear");
command("group two clear");
command("group three clear");
command("group four clear");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->group->count(lmp->group->find("one")), 0);
ASSERT_EQ(lmp->group->count(lmp->group->find("two")), 0);
ASSERT_EQ(lmp->group->count(lmp->group->find("three")), 0);
ASSERT_EQ(lmp->group->count(lmp->group->find("four")), 0);
ASSERT_EQ(group->count(group->find("one")), 0);
ASSERT_EQ(group->count(group->find("two")), 0);
ASSERT_EQ(group->count(group->find("three")), 0);
ASSERT_EQ(group->count(group->find("four")), 0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("delete_atoms region box");
command("delete_atoms region box");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->group->count(lmp->group->find("all")), 0);
ASSERT_EQ(group->count(group->find("all")), 0);
}
TEST_F(GroupTest, SelectRestart)
@ -200,56 +213,133 @@ TEST_F(GroupTest, SelectRestart)
flags[i] = i & 1;
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("group one region left");
lmp->input->one("group two region right");
lmp->group->create("half", flags);
lmp->group->find_or_create("three");
lmp->group->find_or_create("one");
lmp->input->one("group four union one two");
lmp->input->one("group five subtract all half four");
command("group one region left");
command("group two region right");
group->create("half", flags);
group->find_or_create("three");
group->find_or_create("one");
command("group four union one two");
command("group five subtract all half four");
command("group top region top");
command("group six intersect half top");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->group->count(lmp->group->find("one")), 16);
ASSERT_EQ(lmp->group->count(lmp->group->find("two")), 16);
ASSERT_EQ(lmp->group->count(lmp->group->find("three")), 0);
ASSERT_EQ(lmp->group->count(lmp->group->find("half")), 32);
ASSERT_EQ(lmp->group->count(lmp->group->find("four")), 32);
ASSERT_EQ(lmp->group->count(lmp->group->find("five")), 16);
ASSERT_EQ(group->count(group->find("one")), 16);
ASSERT_EQ(group->count(group->find("two")), 16);
ASSERT_EQ(group->count(group->find("three")), 0);
ASSERT_EQ(group->count(group->find("half")), 32);
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);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("write_restart group.restart");
lmp->input->one("clear");
lmp->input->one("read_restart group.restart");
command("write_restart group.restart");
command("clear");
command("read_restart group.restart");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->group->count(lmp->group->find("one")), 16);
ASSERT_EQ(lmp->group->count(lmp->group->find("two")), 16);
ASSERT_EQ(lmp->group->count(lmp->group->find("three")), 0);
ASSERT_EQ(lmp->group->count(lmp->group->find("half")), 32);
ASSERT_EQ(lmp->group->count(lmp->group->find("four")), 32);
ASSERT_EQ(lmp->group->count(lmp->group->find("five")), 16);
ASSERT_EQ(lmp->group->count(lmp->group->find("half"), lmp->domain->find_region("left")), 8);
#if 0
TEST_FAILURE(".*ERROR: Illegal group command.*",
lmp->input->one("group three region left xxx"););
TEST_FAILURE(".*ERROR: Group region ID does not exist.*",
lmp->input->one("group four region top"););
group = lmp->group;
ASSERT_EQ(group->count(group->find("one")), 16);
ASSERT_EQ(group->count(group->find("two")), 16);
ASSERT_EQ(group->count(group->find("three")), 0);
ASSERT_EQ(group->count(group->find("half")), 32);
ASSERT_EQ(group->count(group->find("four")), 32);
ASSERT_EQ(group->count(group->find("five")), 16);
ASSERT_DOUBLE_EQ(group->mass(group->find("six")), 8.0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("group one clear");
lmp->input->one("group two clear");
lmp->input->one("group three clear");
lmp->input->one("group four clear");
command("group four clear");
command("group five clear");
command("group six clear");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->group->count(lmp->group->find("one")), 0);
ASSERT_EQ(lmp->group->count(lmp->group->find("two")), 0);
ASSERT_EQ(lmp->group->count(lmp->group->find("three")), 0);
ASSERT_EQ(lmp->group->count(lmp->group->find("four")), 0);
TEST_FAILURE(".*ERROR: Group ID does not exist.*", command("group four union one two xxx"););
TEST_FAILURE(".*ERROR: Group ID does not exist.*",
command("group five subtract all half xxx"););
TEST_FAILURE(".*ERROR: Group ID does not exist.*",
command("group five intersect half top xxx"););
}
TEST_F(GroupTest, Molecular)
{
molecular_system();
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("delete_atoms region box");
command("group one region left");
command("group two region right");
command("group half id 1:1000:2");
command("group top region top");
command("group three intersect half top");
command("group three include molecule");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->group->count(lmp->group->find("all")), 0);
#endif
ASSERT_EQ(group->count(group->find("one")), 16);
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->charge(group->find("top")), 0);
ASSERT_DOUBLE_EQ(group->charge(group->find("right"), domain->find_region("top")), 0);
TEST_FAILURE(".*ERROR: Illegal group command.*", command("group three include xxx"););
}
TEST_F(GroupTest, Dynamic)
{
atomic_system();
if (!verbose) ::testing::internal::CaptureStdout();
command("variable step atom id<=step");
command("group half id 1:1000:2");
command("group grow dynamic half var step every 1");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(group->count(group->find("grow")), 0);
if (!verbose) ::testing::internal::CaptureStdout();
command("run 10 post no");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(group->count(group->find("grow")), 5);
if (!verbose) ::testing::internal::CaptureStdout();
command("group grow dynamic half var step every 1");
command("run 10 post no");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(group->count(group->find("grow")), 10);
if (!verbose) ::testing::internal::CaptureStdout();
command("group grow static");
command("run 10 post no");
command("group part variable step");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(group->count(group->find("grow")), 10);
ASSERT_EQ(group->count(group->find("part")), 30);
if (!verbose) ::testing::internal::CaptureStdout();
command("group grow dynamic half var step every 1");
command("run 10 post no");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(group->count(group->find("grow")), 20);
TEST_FAILURE(".*ERROR: Cannot subtract groups using a dynamic group.*",
command("group chunk subtract half grow"););
TEST_FAILURE(".*ERROR: Cannot union groups using a dynamic group.*",
command("group chunk union half grow"););
TEST_FAILURE(".*ERROR: Cannot intersect groups using a dynamic group.*",
command("group chunk intersect half grow"););
if (!verbose) ::testing::internal::CaptureStdout();
command("group grow delete");
command("variable ramp equal step");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(group->ngroup, 4);
TEST_FAILURE(".*ERROR: Group dynamic cannot reference itself.*",
command("group half dynamic half region top"););
TEST_FAILURE(".*ERROR: Group dynamic parent group does not exist.*",
command("group half dynamic dummy region top"););
TEST_FAILURE(".*ERROR: Variable for group is invalid style.*",
command("group ramp variable ramp"););
TEST_FAILURE(".*ERROR: Variable name for group does not exist.*",
command("group ramp variable grow"););
}
} // namespace LAMMPS_NS