update c-library tests (a2fc33b4) · Commits · 郑智淋 / lammps

unittest/c-library/test_library_commands.cpp

+71 −53

Original line number	Diff line number	Diff line
		// unit tests for issuing command to a LAMMPS instance through the library interface

		#include "library.h"
		#include "lammps.h"
		#include "library.h"
		#include <string>

		#include "gmock/gmock.h"
		#include "gtest/gtest.h"

		const char *demo_input[] = {
		"region box block 0 $x 0 2 0 2",
		"create_box 1 box",
		#include "test_main.h"

		using ::testing::HasSubstr;
		using ::testing::StartsWith;

		const char *demo_input[] = {"region box block 0 $x 0 2 0 2", "create_box 1 box",
		"create_atoms 1 single 1.0 1.0 ${zpos}"};
		const char *cont_input[] = {
		"create_atoms 1 single &",
		"0.2 0.1 0.1" };
		const char *cont_input[] = {"create_atoms 1 single &", "0.2 0.1 0.1"};

		class LAMMPS_commands : public ::testing::Test
		{
		class LAMMPS_commands : public ::testing::Test {
		protected:
		void *lmp;
		LAMMPS_commands(){};
		~LAMMPS_commands() override{};

		void SetUp() override {
		const char *args[] = {"LAMMPS_test",
		"-log", "none",
		"-echo", "screen",
		"-nocite", "-var","x","2",
		"-var", "zpos", "1.5"};
		void SetUp() override
		{
		const char *args[] = {"LAMMPS_test", "-log", "none", "-echo", "screen", "-nocite",
		"-var", "x", "2", "-var", "zpos", "1.5"};

		char argv = (char )args;
		int argc = sizeof(args) / sizeof(char *);

		::testing::internal::CaptureStdout();
		lmp = lammps_open_no_mpi(argc, argv, NULL);
		std::string output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,8).c_str(), "LAMMPS (");
		if (verbose) std::cout << output;
		EXPECT_THAT(output, StartsWith("LAMMPS ("));
		}
		void TearDown() override {
		void TearDown() override
		{
		::testing::internal::CaptureStdout();
		lammps_close(lmp);
		std::string output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
		EXPECT_THAT(output, HasSubstr("Total wall time:"));
		if (verbose) std::cout << output;
		lmp = nullptr;
		}
		};

		TEST_F(LAMMPS_commands, from_file) {
		TEST_F(LAMMPS_commands, from_file)
		{
		FILE *fp;
		const char demo_file[] = "in.test";
		const char cont_file[] = "in.cont";
		@@ -63,30 +67,42 @@ TEST_F(LAMMPS_commands, from_file) {
		fclose(fp);

		EXPECT_EQ(lammps_get_natoms(lmp), 0);
		if (!verbose) ::testing::internal::CaptureStdout();
		lammps_file(lmp, demo_file);
		if (!verbose) ::testing::internal::GetCapturedStdout();
		EXPECT_EQ(lammps_get_natoms(lmp), 1);
		if (!verbose) ::testing::internal::CaptureStdout();
		lammps_file(lmp, cont_file);
		if (!verbose) ::testing::internal::GetCapturedStdout();
		EXPECT_EQ(lammps_get_natoms(lmp), 2);

		unlink(demo_file);
		unlink(cont_file);
		};

		TEST_F(LAMMPS_commands, from_line) {
		TEST_F(LAMMPS_commands, from_line)
		{
		EXPECT_EQ(lammps_get_natoms(lmp), 0);
		if (!verbose) ::testing::internal::CaptureStdout();
		for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
		lammps_command(lmp, demo_input[i]);
		}
		if (!verbose) ::testing::internal::GetCapturedStdout();
		EXPECT_EQ(lammps_get_natoms(lmp), 1);
		};

		TEST_F(LAMMPS_commands, from_list) {
		TEST_F(LAMMPS_commands, from_list)
		{
		EXPECT_EQ(lammps_get_natoms(lmp), 0);
		if (!verbose) ::testing::internal::CaptureStdout();
		lammps_commands_list(lmp, sizeof(demo_input) / sizeof(char *), demo_input);
		lammps_commands_list(lmp, sizeof(cont_input) / sizeof(char *), cont_input);
		if (!verbose) ::testing::internal::GetCapturedStdout();
		EXPECT_EQ(lammps_get_natoms(lmp), 2);
		};

		TEST_F(LAMMPS_commands, from_string) {
		TEST_F(LAMMPS_commands, from_string)
		{
		std::string cmds("");

		for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
		@@ -98,6 +114,8 @@ TEST_F(LAMMPS_commands, from_string) {
		cmds += "\n";
		}
		EXPECT_EQ(lammps_get_natoms(lmp), 0);
		if (!verbose) ::testing::internal::CaptureStdout();
		lammps_commands_string(lmp, cmds.c_str());
		if (!verbose) ::testing::internal::GetCapturedStdout();
		EXPECT_EQ(lammps_get_natoms(lmp), 2);
		};

unittest/c-library/test_library_open.cpp

+67 −56

Original line number	Diff line number	Diff line
		// unit tests for the LAMMPS base class
		// unit tests creating LAMMPS instances via the library interface

		#include "library.h"
		#include "lammps.h"
		#include <mpi.h>
		#include "library.h"
		#include <cstdio> // for stdin, stdout
		#include <mpi.h>
		#include <string>

		#include "gmock/gmock.h"
		#include "gtest/gtest.h"

		TEST(lammps_open, null_args) {
		#include "test_main.h"

		using ::testing::HasSubstr;
		using ::testing::StartsWith;

		TEST(lammps_open, null_args)
		{
		::testing::internal::CaptureStdout();
		void *handle = lammps_open(0, NULL, MPI_COMM_WORLD, NULL);
		std::string output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,6).c_str(),"LAMMPS");
		EXPECT_THAT(output, StartsWith("LAMMPS ("));
		if (verbose) std::cout << output;
		int mpi_init = 0;
		MPI_Initialized(&mpi_init);
		EXPECT_GT(mpi_init, 0);
		@@ -24,13 +32,13 @@ TEST(lammps_open, null_args) {
		::testing::internal::CaptureStdout();
		lammps_close(handle);
		output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
		EXPECT_THAT(output, HasSubstr("Total wall time:"));
		if (verbose) std::cout << output;
		}

		TEST(lammps_open, with_args) {
		const char *args[] = {"liblammps",
		"-log", "none",
		"-nocite"};
		TEST(lammps_open, with_args)
		{
		const char *args[] = {"liblammps", "-log", "none", "-nocite"};
		char argv = (char )args;
		int argc = sizeof(args) / sizeof(char *);

		@@ -41,7 +49,8 @@ TEST(lammps_open, with_args) {
		void *alt_ptr;
		void *handle = lammps_open(argc, argv, mycomm, &alt_ptr);
		std::string output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,6).c_str(),"LAMMPS");
		EXPECT_THAT(output, StartsWith("LAMMPS ("));
		if (verbose) std::cout << output;
		EXPECT_EQ(handle, alt_ptr);
		LAMMPS_NS::LAMMPS lmp = (LAMMPS_NS::LAMMPS )handle;

		@@ -60,15 +69,14 @@ TEST(lammps_open, with_args) {
		::testing::internal::CaptureStdout();
		lammps_close(handle);
		output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
		EXPECT_THAT(output, HasSubstr("Total wall time:"));
		if (verbose) std::cout << output;
		}

		TEST(lammps_open, with_kokkos) {
		TEST(lammps_open, with_kokkos)
		{
		if (!LAMMPS_NS::LAMMPS::is_installed_pkg("KOKKOS")) GTEST_SKIP();
		const char *args[] = {"liblammps",
		"-k", "on", "t", "2",
		"-sf", "kk",
		"-log", "none" };
		const char *args[] = {"liblammps", "-k", "on", "t", "2", "-sf", "kk", "-log", "none"};
		char argv = (char )args;
		int argc = sizeof(args) / sizeof(char *);

		@@ -76,7 +84,8 @@ TEST(lammps_open, with_kokkos) {
		void *alt_ptr;
		void *handle = lammps_open(argc, argv, MPI_COMM_WORLD, &alt_ptr);
		std::string output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,6).c_str(),"LAMMPS");
		EXPECT_THAT(output, StartsWith("LAMMPS ("));
		if (verbose) std::cout << output;
		EXPECT_EQ(handle, alt_ptr);
		LAMMPS_NS::LAMMPS lmp = (LAMMPS_NS::LAMMPS )handle;

		@@ -91,14 +100,13 @@ TEST(lammps_open, with_kokkos) {
		::testing::internal::CaptureStdout();
		lammps_close(handle);
		output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
		EXPECT_THAT(output, HasSubstr("Total wall time:"));
		if (verbose) std::cout << output;
		}

		TEST(lammps_open_no_mpi, no_screen) {
		const char *args[] = {"liblammps",
		"-log", "none",
		"-screen", "none",
		"-nocite"};
		TEST(lammps_open_no_mpi, no_screen)
		{
		const char *args[] = {"liblammps", "-log", "none", "-screen", "none", "-nocite"};
		char argv = (char )args;
		int argc = sizeof(args) / sizeof(char *);

		@@ -125,13 +133,11 @@ TEST(lammps_open_no_mpi, no_screen) {
		EXPECT_STREQ(output.c_str(), "");
		}

		TEST(lammps_open_no_mpi, with_omp) {
		TEST(lammps_open_no_mpi, with_omp)
		{
		if (!LAMMPS_NS::LAMMPS::is_installed_pkg("USER-OMP")) GTEST_SKIP();
		const char *args[] = {"liblammps",
		"-pk", "omp", "2", "neigh", "no",
		"-sf", "omp",
		"-log", "none",
		"-nocite"};
		const char *args[] = {"liblammps", "-pk", "omp", "2", "neigh", "no",
		"-sf", "omp", "-log", "none", "-nocite"};
		char argv = (char )args;
		int argc = sizeof(args) / sizeof(char *);

		@@ -139,7 +145,8 @@ TEST(lammps_open_no_mpi, with_omp) {
		void *alt_ptr;
		void *handle = lammps_open_no_mpi(argc, argv, &alt_ptr);
		std::string output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,6).c_str(),"LAMMPS");
		EXPECT_THAT(output, StartsWith("LAMMPS ("));
		if (verbose) std::cout << output;
		EXPECT_EQ(handle, alt_ptr);
		LAMMPS_NS::LAMMPS lmp = (LAMMPS_NS::LAMMPS )handle;

		@@ -155,10 +162,12 @@ TEST(lammps_open_no_mpi, with_omp) {
		::testing::internal::CaptureStdout();
		lammps_close(handle);
		output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
		EXPECT_THAT(output, HasSubstr("Total wall time:"));
		if (verbose) std::cout << output;
		}

		TEST(lammps_open_fortran, no_args) {
		TEST(lammps_open_fortran, no_args)
		{
		// MPI is already initialized
		MPI_Comm mycomm;
		MPI_Comm_split(MPI_COMM_WORLD, 0, 1, &mycomm);
		@@ -166,7 +175,8 @@ TEST(lammps_open_fortran, no_args) {
		::testing::internal::CaptureStdout();
		void *handle = lammps_open_fortran(0, NULL, fcomm);
		std::string output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,6).c_str(),"LAMMPS");
		EXPECT_THAT(output, StartsWith("LAMMPS ("));
		if (verbose) std::cout << output;
		LAMMPS_NS::LAMMPS lmp = (LAMMPS_NS::LAMMPS )handle;

		// MPI STUBS uses no real communicators
		@@ -182,5 +192,6 @@ TEST(lammps_open_fortran, no_args) {
		::testing::internal::CaptureStdout();
		lammps_close(handle);
		output = ::testing::internal::GetCapturedStdout();
		EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
		EXPECT_THAT(output, HasSubstr("Total wall time:"));
		if (verbose) std::cout << output;
		}

unittest/c-library/test_library_properties.cpp

+1 −1

Original line number	Diff line number	Diff line
		// unit tests for checking and changing simulation properties through the library interface

		#include "lammps.h"
		#include "library.h"
		#include "lammps.h"
		#include <string>

		#include "gmock/gmock.h"

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