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lammps/unittest/commands/test_regions.cpp
Axel Kohlmeyer da2bd44b73 modernize and reformat with clang-tidy and clang-format
2024-07-04 11:17:54 -04:00

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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
LAMMPS Development team: developers@lammps.org
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "lammps.h"
#include "atom.h"
#include "domain.h"
#include "group.h"
#include "info.h"
#include "input.h"
#include "region.h"
#include "../testing/core.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
#include <cstring>
#include <vector>
// whether to print verbose output (i.e. not capturing LAMMPS screen output).
bool verbose = false;
namespace LAMMPS_NS {
using ::testing::ExitedWithCode;
using ::testing::StrEq;
class RegionTest : public LAMMPSTest {
protected:
Atom *atom;
Domain *domain;
Group *group;
void SetUp() override
{
testbinary = "RegionTest";
LAMMPSTest::SetUp();
atom = lmp->atom;
domain = lmp->domain;
group = lmp->group;
}
void atomic_system()
{
BEGIN_HIDE_OUTPUT();
command("units real");
command("lattice sc 1.0 origin 0.125 0.125 0.125");
command("region box block -10 10 -10 10 -10 10");
command("create_box 8 box");
command("create_atoms 1 box");
command("mass * 1.0");
END_HIDE_OUTPUT();
}
};
TEST_F(RegionTest, NoBox)
{
auto list = domain->get_region_list();
ASSERT_EQ(list.size(), 0);
BEGIN_HIDE_OUTPUT();
command("region reg1 block 0 1 0 1 0 1");
command("region reg2 cone x 0 0 2 1 0 1 units box");
command("region reg3 plane 0 0 0 0 0 1 side out");
command("region reg4 prism 0 1 0 1 0 1 0.1 0.2 0.3");
command("region reg5 sphere 0 0 0 1");
command("region reg6 union 3 reg1 reg2 reg3");
command("region reg7 intersect 3 reg1 reg2 reg4");
command("region reg8 ellipsoid 0 0 0 2 1 2");
command("region reg9 cylinder y 0 0 1 0 1 open 1 units box");
END_HIDE_OUTPUT();
list = domain->get_region_list();
EXPECT_EQ(list.size(), 9);
auto *reg = domain->get_region_by_id("reg1");
EXPECT_EQ(reg->interior, 1);
EXPECT_EQ(reg->scaleflag, 1);
EXPECT_EQ(reg->bboxflag, 1);
EXPECT_EQ(reg->varshape, 0);
EXPECT_EQ(reg->dynamic, 0);
EXPECT_EQ(reg->moveflag, 0);
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 0);
reg = domain->get_region_by_id("reg2");
EXPECT_EQ(reg->interior, 1);
EXPECT_EQ(reg->scaleflag, 0);
EXPECT_EQ(reg->bboxflag, 1);
EXPECT_EQ(reg->varshape, 0);
EXPECT_EQ(reg->dynamic, 0);
EXPECT_EQ(reg->moveflag, 0);
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 0);
reg = domain->get_region_by_id("reg3");
EXPECT_EQ(reg->interior, 0);
EXPECT_EQ(reg->scaleflag, 1);
EXPECT_EQ(reg->bboxflag, 0);
EXPECT_EQ(reg->varshape, 0);
EXPECT_EQ(reg->dynamic, 0);
EXPECT_EQ(reg->moveflag, 0);
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 0);
reg = domain->get_region_by_id("reg4");
EXPECT_EQ(reg->interior, 1);
EXPECT_EQ(reg->scaleflag, 1);
EXPECT_EQ(reg->bboxflag, 1);
EXPECT_EQ(reg->varshape, 0);
EXPECT_EQ(reg->dynamic, 0);
EXPECT_EQ(reg->moveflag, 0);
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 0);
reg = domain->get_region_by_id("reg5");
EXPECT_EQ(reg->interior, 1);
EXPECT_EQ(reg->scaleflag, 1);
EXPECT_EQ(reg->bboxflag, 1);
EXPECT_EQ(reg->varshape, 0);
EXPECT_EQ(reg->dynamic, 0);
EXPECT_EQ(reg->moveflag, 0);
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 0);
reg = domain->get_region_by_id("reg6");
EXPECT_EQ(reg->interior, 1);
EXPECT_EQ(reg->scaleflag, 1);
EXPECT_EQ(reg->bboxflag, 0);
EXPECT_EQ(reg->varshape, 0);
EXPECT_EQ(reg->dynamic, 0);
EXPECT_EQ(reg->moveflag, 0);
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 0);
reg = domain->get_region_by_id("reg7");
EXPECT_EQ(reg->interior, 1);
EXPECT_EQ(reg->scaleflag, 1);
EXPECT_EQ(reg->bboxflag, 1);
EXPECT_EQ(reg->varshape, 0);
EXPECT_EQ(reg->dynamic, 0);
EXPECT_EQ(reg->moveflag, 0);
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 0);
reg = domain->get_region_by_id("reg8");
EXPECT_EQ(reg->interior, 1);
EXPECT_EQ(reg->scaleflag, 1);
EXPECT_EQ(reg->bboxflag, 1);
EXPECT_EQ(reg->varshape, 0);
EXPECT_EQ(reg->dynamic, 0);
EXPECT_EQ(reg->moveflag, 0);
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 0);
reg = domain->get_region_by_id("reg9");
EXPECT_EQ(reg->interior, 1);
EXPECT_EQ(reg->scaleflag, 0);
EXPECT_EQ(reg->bboxflag, 1);
EXPECT_EQ(reg->varshape, 0);
EXPECT_EQ(reg->dynamic, 0);
EXPECT_EQ(reg->moveflag, 0);
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 1);
BEGIN_HIDE_OUTPUT();
command("region reg3 delete");
command("region reg5 delete");
command("region reg6 delete");
command("region reg1 delete");
command("region reg9 delete");
END_HIDE_OUTPUT();
list = domain->get_region_list();
EXPECT_EQ(list.size(), 4);
reg = domain->get_region_by_id("reg7");
TEST_FAILURE(".*ERROR: Region intersect region reg1 does not exist.*", reg->init(););
TEST_FAILURE(".*ERROR: Delete region reg3 does not exist.*", command("region reg3 delete"););
}
TEST_F(RegionTest, DeathTests)
{
atomic_system();
auto list = domain->get_region_list();
ASSERT_EQ(list.size(), 1);
TEST_FAILURE(".*ERROR: Illegal region block xlo: 1 >= xhi: 0.*",
command("region reg1 block 1 0 0 1 0 1"););
TEST_FAILURE(".*ERROR: Illegal region cone open face: 4.*",
command("region reg2 cone x 0 0 2 1 0 1 open 4"););
TEST_FAILURE(".*ERROR: Illegal region plane normal vector: 0 0 0.*",
command("region reg3 plane 0 0 0 0 0 0 side out"););
TEST_FAILURE(".*ERROR: Illegal region prism non-zero xy tilt with infinite x size.*",
command("region reg4 prism INF INF 0 1 0 1 0.1 0.2 0.3"););
TEST_FAILURE(".*ERROR: Illegal region sphere radius: -1.*",
command("region reg5 sphere 0 0 0 -1"););
TEST_FAILURE(".*ERROR: Illegal region ellipsoid c: -2.*",
command("region reg8 ellipsoid 0 0 0 2 1 -2"););
TEST_FAILURE(".*ERROR: Illegal region cylinder axis: xx.*",
command("region reg9 cylinder xx 0 0 1 0 1 open 1 units box"););
TEST_FAILURE(".*ERROR: Unrecognized region style 'xxx'.*", command("region new1 xxx"););
// TEST_FAILURE(".*ERROR: Illegal region command.*", command("region new1 block 0 1"););
TEST_FAILURE(".*ERROR: Illegal region command: missing argument\\(s\\).*",
command("region new1 block 0 1"););
TEST_FAILURE(".*ERROR: Delete region new3 does not exist.*", command("region new3 delete"););
}
TEST_F(RegionTest, Counts)
{
atomic_system();
BEGIN_HIDE_OUTPUT();
command("region reg1 block 0 5 0 5 -5 5");
command("region reg2 cone y 0 0 10 0 -5 5 units box");
command("region reg3 plane 0 0 0 0 1 0 side out");
command("region reg4 prism -5 5 -5 5 -5 5 0.1 0.2 0.3 units box");
command("region reg5 sphere 1 0 0 6");
command("region reg6 union 3 reg1 reg2 reg3");
command("region reg7 intersect 3 reg1 reg2 reg4");
command("region reg8 ellipsoid 0 0 0 5 2 3");
command("region reg9 ellipsoid 1 0 0 6 6 6"); // same as sphere
command("region reg10 prism 0 5 0 5 -5 5 0.0 0.0 0.0"); // same as block
END_HIDE_OUTPUT();
auto *x = atom->x;
auto *reg1 = domain->get_region_by_id("reg1");
auto *reg2 = domain->get_region_by_id("reg2");
auto *reg3 = domain->get_region_by_id("reg3");
auto *reg4 = domain->get_region_by_id("reg4");
auto *reg5 = domain->get_region_by_id("reg5");
auto *reg6 = domain->get_region_by_id("reg6");
auto *reg7 = domain->get_region_by_id("reg7");
auto *reg8 = domain->get_region_by_id("reg8");
auto *reg9 = domain->get_region_by_id("reg9");
auto *reg10 = domain->get_region_by_id("reg10");
int count1, count2, count3, count4, count5, count6, count7, count8, count9, count10;
count1 = count2 = count3 = count4 = count5 = count6 = count7 = count8 = count9 = count10 = 0;
reg1->prematch();
reg2->prematch();
reg3->prematch();
reg4->prematch();
reg5->prematch();
reg6->prematch();
reg7->prematch();
reg8->prematch();
reg9->prematch();
reg10->prematch();
for (int i = 0; i < atom->nlocal; ++i) {
if (reg1->match(x[i][0], x[i][1], x[i][2])) ++count1;
if (reg2->match(x[i][0], x[i][1], x[i][2])) ++count2;
if (reg3->match(x[i][0], x[i][1], x[i][2])) ++count3;
if (reg4->match(x[i][0], x[i][1], x[i][2])) ++count4;
if (reg5->match(x[i][0], x[i][1], x[i][2])) ++count5;
if (reg6->match(x[i][0], x[i][1], x[i][2])) ++count6;
if (reg7->match(x[i][0], x[i][1], x[i][2])) ++count7;
if (reg8->match(x[i][0], x[i][1], x[i][2])) ++count8;
if (reg9->match(x[i][0], x[i][1], x[i][2])) ++count9;
if (reg10->match(x[i][0], x[i][1], x[i][2])) ++count10;
}
EXPECT_EQ(count1, 250);
EXPECT_EQ(count2, 1132);
EXPECT_EQ(count3, 4000);
EXPECT_EQ(count4, 1000);
EXPECT_EQ(count5, 907);
EXPECT_EQ(count6, 4314);
EXPECT_EQ(count7, 86);
EXPECT_EQ(count8, 122);
EXPECT_EQ(count9, count5);
EXPECT_EQ(count10, count1);
}
} // namespace LAMMPS_NS
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);
for (auto arg : env) {
if (arg == "-v") {
verbose = true;
}
}
}
if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true;
int rv = RUN_ALL_TESTS();
MPI_Finalize();
return rv;
}
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