test lammps_extract_settings() (d27d4912) · Commits · 郑智淋 / lammps

unittest/c-library/CMakeLists.txt

+1 −1

Original line number	Diff line number	Diff line
		@@ -12,7 +12,7 @@ target_link_libraries(test_library_properties PRIVATE lammps GTest::GTest GTest:
		target_compile_definitions(test_library_properties PRIVATE -DTEST_INPUT_FOLDER=${CMAKE_CURRENT_SOURCE_DIR})
		add_test(LibraryProperties test_library_properties)

		set(TEST_CONFIG_DEFS -DTEST_INPUT_FOLDER=${CMAKE_CURRENT_SOURCE_DIR})
		set(TEST_CONFIG_DEFS "-DTEST_INPUT_FOLDER=${CMAKE_CURRENT_SOURCE_DIR};-DLAMMPS_${LAMMPS_SIZES}")
		set(PKG_COUNT 0)
		foreach(PKG ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES})
		if(PKG_${PKG})

unittest/c-library/test_library_properties.cpp

+56 −2

Original line number	Diff line number	Diff line
		@@ -160,3 +160,57 @@ TEST_F(LibraryProperties, box)
		EXPECT_DOUBLE_EQ(lammps_get_thermo(lmp, "vol"), 3390.3580784497199);
		EXPECT_DOUBLE_EQ(lammps_get_thermo(lmp, "cellgamma"), 89.61785205109274);
		};
		TEST_F(LibraryProperties, setting)
		{
		#if defined(LAMMPS_SMALLSMALL)
		EXPECT_EQ(lammps_extract_setting(lmp, "bigint"), 4);
		#else
		EXPECT_EQ(lammps_extract_setting(lmp, "bigint"), 8);
		#endif
		#if defined(LAMMPS_BIGBIG)
		EXPECT_EQ(lammps_extract_setting(lmp, "tagint"), 8);
		EXPECT_EQ(lammps_extract_setting(lmp, "imageint"), 8);
		#else
		EXPECT_EQ(lammps_extract_setting(lmp, "tagint"), 4);
		EXPECT_EQ(lammps_extract_setting(lmp, "imageint"), 4);
		#endif

		EXPECT_EQ(lammps_extract_setting(lmp, "box_exist"), 0);
		if (!verbose) ::testing::internal::CaptureStdout();
		lammps_command(lmp, "dimension 2");
		if (!verbose) ::testing::internal::GetCapturedStdout();
		EXPECT_EQ(lammps_extract_setting(lmp, "dimension"), 2);
		if (!verbose) ::testing::internal::CaptureStdout();
		lammps_command(lmp, "dimension 3");
		if (!verbose) ::testing::internal::GetCapturedStdout();
		EXPECT_EQ(lammps_extract_setting(lmp, "molecule_flag"), 0);
		EXPECT_EQ(lammps_extract_setting(lmp, "q_flag"), 0);
		EXPECT_EQ(lammps_extract_setting(lmp, "mu_flag"), 0);
		EXPECT_EQ(lammps_extract_setting(lmp, "rmass_flag"), 0);
		EXPECT_EQ(lammps_extract_setting(lmp, "UNKNOWN"), -1);

		if (lammps_has_style(lmp, "atom", "full")) {
		std::string input = INPUT_DIR + PATH_SEP + "in.fourmol";
		if (!verbose) ::testing::internal::CaptureStdout();
		lammps_file(lmp, input.c_str());
		lammps_command(lmp, "run 2 post no");
		if (!verbose) ::testing::internal::GetCapturedStdout();
		EXPECT_EQ(lammps_extract_setting(lmp, "triclinic"), 0);
		EXPECT_EQ(lammps_extract_setting(lmp, "box_exist"), 1);
		EXPECT_EQ(lammps_extract_setting(lmp, "dimension"), 3);
		EXPECT_EQ(lammps_extract_setting(lmp, "nlocal"), 29);
		EXPECT_EQ(lammps_extract_setting(lmp, "nghost"), 518);
		EXPECT_EQ(lammps_extract_setting(lmp, "nall"), 547);
		EXPECT_EQ(lammps_extract_setting(lmp, "nmax"), 16384);
		EXPECT_EQ(lammps_extract_setting(lmp, "molecule_flag"), 1);
		EXPECT_EQ(lammps_extract_setting(lmp, "q_flag"), 1);
		EXPECT_EQ(lammps_extract_setting(lmp, "mu_flag"), 0);
		EXPECT_EQ(lammps_extract_setting(lmp, "rmass_flag"), 0);
		if (!verbose) ::testing::internal::CaptureStdout();
		lammps_command(lmp, "change_box all triclinic");
		lammps_command(lmp, "fix rmass all property/atom rmass ghost yes");
		if (!verbose) ::testing::internal::GetCapturedStdout();
		EXPECT_EQ(lammps_extract_setting(lmp, "triclinic"), 1);
		EXPECT_EQ(lammps_extract_setting(lmp, "rmass_flag"), 1);
		}
		};

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