228 lines
7.4 KiB
C++
228 lines
7.4 KiB
C++
// unit tests for checking LAMMPS configuration settings through the library interface
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#include "lammps.h"
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#include "library.h"
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#include "timer.h"
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#include <string>
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#include "gmock/gmock.h"
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#include "gtest/gtest.h"
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#include "test_main.h"
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#define STRINGIFY(val) XSTR(val)
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#define XSTR(val) #val
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using ::testing::HasSubstr;
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using ::testing::StartsWith;
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using ::testing::StrEq;
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class LibraryConfig : public ::testing::Test {
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protected:
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void *lmp;
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std::string INPUT_DIR = STRINGIFY(TEST_INPUT_FOLDER);
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LibraryConfig() = default;
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~LibraryConfig() override = default;
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void SetUp() override
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{
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const char *args[] = {"LAMMPS_test", "-log", "none",
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"-echo", "screen", "-nocite",
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"-var", "input_dir", STRINGIFY(TEST_INPUT_FOLDER)};
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char **argv = (char **)args;
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int argc = sizeof(args) / sizeof(char *);
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::testing::internal::CaptureStdout();
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lmp = lammps_open_no_mpi(argc, argv, nullptr);
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lammps_command(lmp, "fix charge all property/atom q ghost yes");
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lammps_command(lmp, "region box block 0 1 0 1 0 1");
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lammps_command(lmp, "create_box 1 box");
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lammps_command(lmp, "group none empty");
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std::string output = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << output;
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EXPECT_THAT(output, StartsWith("LAMMPS ("));
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}
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void TearDown() override
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{
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::testing::internal::CaptureStdout();
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lammps_close(lmp);
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std::string output = ::testing::internal::GetCapturedStdout();
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EXPECT_THAT(output, HasSubstr("Total wall time:"));
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if (verbose) std::cout << output;
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lmp = nullptr;
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}
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};
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TEST(LAMMPSConfig, package_count)
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{
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EXPECT_EQ(lammps_config_package_count(), NUM_LAMMPS_PACKAGES);
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};
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TEST(LAMMPSConfig, has_package)
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{
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EXPECT_EQ(lammps_config_has_package("MANYBODY"), LAMMPS_HAS_MANYBODY);
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};
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TEST(LAMMPSConfig, package_name)
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{
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char buf[128];
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int numpkgs = lammps_config_package_count();
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if (numpkgs > 0) {
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EXPECT_EQ(lammps_config_package_name(0, buf, 128), 1);
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EXPECT_EQ(lammps_config_package_name(numpkgs + 10, buf, 128), 0);
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EXPECT_THAT(buf, StrEq(""));
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} else {
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EXPECT_EQ(lammps_config_package_name(0, buf, 128), 0);
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EXPECT_THAT(buf, StrEq(""));
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}
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};
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TEST_F(LibraryConfig, has_style)
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{
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EXPECT_EQ(lammps_has_style(lmp, "atom", "atomic"), 1);
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EXPECT_EQ(lammps_has_style(lmp, "compute", "temp"), 1);
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EXPECT_EQ(lammps_has_style(lmp, "fix", "nve"), 1);
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EXPECT_EQ(lammps_has_style(lmp, "pair", "lj/cut"), 1);
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EXPECT_EQ(lammps_has_style(lmp, "bond", "zero"), 1);
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EXPECT_EQ(lammps_has_style(lmp, "dump", "custom"), 1);
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EXPECT_EQ(lammps_has_style(lmp, "region", "sphere"), 1);
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EXPECT_EQ(lammps_has_style(lmp, "xxxxx", "lj/cut"), 0);
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EXPECT_EQ(lammps_has_style(lmp, "pair", "xxxxxx"), 0);
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#if LAMMPS_HAS_MANYBODY
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EXPECT_EQ(lammps_has_style(lmp, "pair", "sw"), 1);
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#else
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EXPECT_EQ(lammps_has_style(lmp, "pair", "sw"), 0);
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#endif
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};
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TEST_F(LibraryConfig, style_count)
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{
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EXPECT_GT(lammps_style_count(lmp, "atom"), 1);
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EXPECT_GT(lammps_style_count(lmp, "bond"), 1);
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EXPECT_GT(lammps_style_count(lmp, "angle"), 1);
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EXPECT_GT(lammps_style_count(lmp, "dihedral"), 1);
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EXPECT_GT(lammps_style_count(lmp, "improper"), 1);
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EXPECT_GT(lammps_style_count(lmp, "pair"), 1);
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EXPECT_GE(lammps_style_count(lmp, "kspace"), 0);
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EXPECT_GT(lammps_style_count(lmp, "compute"), 1);
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EXPECT_GT(lammps_style_count(lmp, "fix"), 1);
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EXPECT_GT(lammps_style_count(lmp, "region"), 1);
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EXPECT_GT(lammps_style_count(lmp, "dump"), 1);
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EXPECT_GT(lammps_style_count(lmp, "integrate"), 1);
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EXPECT_GT(lammps_style_count(lmp, "minimize"), 1);
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};
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TEST_F(LibraryConfig, style_name)
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{
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char buf[128];
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int numstyles = lammps_style_count(lmp, "atom");
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EXPECT_EQ(lammps_style_name(lmp, "atom", 0, buf, 128), 1);
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EXPECT_EQ(lammps_style_name(lmp, "atom", numstyles + 10, buf, 128), 0);
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EXPECT_THAT(buf, StrEq(""));
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};
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TEST_F(LibraryConfig, has_id)
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{
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EXPECT_EQ(lammps_has_id(lmp, "compute", "thermo_temp"), 1);
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EXPECT_EQ(lammps_has_id(lmp, "compute", "thermo_press"), 1);
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EXPECT_EQ(lammps_has_id(lmp, "compute", "thermo_pe"), 1);
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EXPECT_EQ(lammps_has_id(lmp, "dump", "xxx"), 0);
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EXPECT_EQ(lammps_has_id(lmp, "fix", "charge"), 1);
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EXPECT_EQ(lammps_has_id(lmp, "fix", "xxx"), 0);
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EXPECT_EQ(lammps_has_id(lmp, "group", "all"), 1);
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EXPECT_EQ(lammps_has_id(lmp, "group", "none"), 1);
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EXPECT_EQ(lammps_has_id(lmp, "group", "xxx"), 0);
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EXPECT_EQ(lammps_has_id(lmp, "molecule", "xxx"), 0);
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EXPECT_EQ(lammps_has_id(lmp, "region", "box"), 1);
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EXPECT_EQ(lammps_has_id(lmp, "region", "xxx"), 0);
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EXPECT_EQ(lammps_has_id(lmp, "variable", "input_dir"), 1);
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EXPECT_EQ(lammps_has_id(lmp, "variable", "xxx"), 0);
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};
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TEST_F(LibraryConfig, id_count)
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{
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EXPECT_EQ(lammps_id_count(lmp, "compute"), 3);
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EXPECT_EQ(lammps_id_count(lmp, "dump"), 0);
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EXPECT_EQ(lammps_id_count(lmp, "fix"), 1);
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EXPECT_EQ(lammps_id_count(lmp, "group"), 2);
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EXPECT_EQ(lammps_id_count(lmp, "molecule"), 0);
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EXPECT_EQ(lammps_id_count(lmp, "region"), 1);
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EXPECT_EQ(lammps_id_count(lmp, "variable"), 1);
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};
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TEST_F(LibraryConfig, id_name)
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{
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const int bufsize = 128;
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char buf[bufsize];
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EXPECT_EQ(lammps_id_name(lmp, "compute", 2, buf, bufsize), 1);
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EXPECT_THAT(buf, StrEq("thermo_pe"));
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EXPECT_EQ(lammps_id_name(lmp, "compute", 10, buf, bufsize), 0);
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EXPECT_THAT(buf, StrEq(""));
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EXPECT_EQ(lammps_id_name(lmp, "fix", 0, buf, bufsize), 1);
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EXPECT_THAT(buf, StrEq("charge"));
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EXPECT_EQ(lammps_id_name(lmp, "fix", 10, buf, bufsize), 0);
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EXPECT_THAT(buf, StrEq(""));
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EXPECT_EQ(lammps_id_name(lmp, "group", 0, buf, bufsize), 1);
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EXPECT_THAT(buf, StrEq("all"));
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EXPECT_EQ(lammps_id_name(lmp, "group", 1, buf, bufsize), 1);
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EXPECT_THAT(buf, StrEq("none"));
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EXPECT_EQ(lammps_id_name(lmp, "group", 10, buf, bufsize), 0);
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EXPECT_THAT(buf, StrEq(""));
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EXPECT_EQ(lammps_id_name(lmp, "region", 0, buf, bufsize), 1);
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EXPECT_THAT(buf, StrEq("box"));
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EXPECT_EQ(lammps_id_name(lmp, "region", 10, buf, bufsize), 0);
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EXPECT_THAT(buf, StrEq(""));
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EXPECT_EQ(lammps_id_name(lmp, "variable", 0, buf, bufsize), 1);
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EXPECT_THAT(buf, StrEq("input_dir"));
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EXPECT_EQ(lammps_id_name(lmp, "variable", 10, buf, bufsize), 0);
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EXPECT_THAT(buf, StrEq(""));
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};
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TEST_F(LibraryConfig, is_running)
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{
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EXPECT_EQ(lammps_is_running(lmp), 0);
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}
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TEST_F(LibraryConfig, force_timeout)
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{
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LAMMPS_NS::Timer *timer = ((LAMMPS_NS::LAMMPS *)lmp)->timer;
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EXPECT_EQ(timer->is_timeout(), false);
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lammps_force_timeout(lmp);
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EXPECT_EQ(timer->is_timeout(), true);
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}
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TEST(LAMMPSConfig, exceptions)
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{
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EXPECT_EQ(lammps_config_has_exceptions(), LAMMPS_HAS_EXCEPTIONS);
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};
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TEST(LAMMPSConfig, mpi_support)
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{
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if (LAMMPS_HAS_MPI)
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EXPECT_GT(lammps_config_has_mpi_support(), 0);
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else
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EXPECT_EQ(lammps_config_has_mpi_support(), 0);
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};
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TEST(LAMMPSConfig, png_support)
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{
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EXPECT_EQ(lammps_config_has_png_support(), LAMMPS_HAS_PNG);
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};
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TEST(LAMMPSConfig, jpeg_support)
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{
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EXPECT_EQ(lammps_config_has_jpeg_support(), LAMMPS_HAS_JPEG);
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};
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TEST(LAMMPSConfig, gzip_support)
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{
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EXPECT_EQ(lammps_config_has_gzip_support(), LAMMPS_HAS_GZIP);
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};
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TEST(LAMMPSConfig, ffmpeg_support)
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{
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EXPECT_EQ(lammps_config_has_ffmpeg_support(), LAMMPS_HAS_FFMPEG);
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};
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