122 lines
3.8 KiB
C++
122 lines
3.8 KiB
C++
// unit tests for issuing command to a LAMMPS instance through the library interface
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#include "lammps.h"
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#include "library.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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using ::testing::HasSubstr;
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using ::testing::StartsWith;
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const char *demo_input[] = {"region box block 0 $x 0 2 0 2", "create_box 1 box",
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"create_atoms 1 single 1.0 1.0 ${zpos}"};
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const char *cont_input[] = {"create_atoms 1 single &", "0.2 0.1 0.1"};
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class LAMMPS_commands : public ::testing::Test {
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protected:
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void *lmp;
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LAMMPS_commands(){};
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~LAMMPS_commands() override{};
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void SetUp() override
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{
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const char *args[] = {"LAMMPS_test", "-log", "none", "-echo", "screen", "-nocite",
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"-var", "x", "2", "-var", "zpos", "1.5"};
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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, NULL);
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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_F(LAMMPS_commands, from_file)
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{
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FILE *fp;
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const char demo_file[] = "in.test";
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const char cont_file[] = "in.cont";
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fp = fopen(demo_file, "w");
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for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
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fputs(demo_input[i], fp);
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fputc('\n', fp);
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}
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fclose(fp);
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fp = fopen(cont_file, "w");
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for (unsigned int i = 0; i < sizeof(cont_input) / sizeof(char *); ++i) {
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fputs(cont_input[i], fp);
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fputc('\n', fp);
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}
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fclose(fp);
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EXPECT_EQ(lammps_get_natoms(lmp), 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lammps_file(lmp, demo_file);
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if (!verbose) ::testing::internal::GetCapturedStdout();
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EXPECT_EQ(lammps_get_natoms(lmp), 1);
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if (!verbose) ::testing::internal::CaptureStdout();
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lammps_file(lmp, cont_file);
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if (!verbose) ::testing::internal::GetCapturedStdout();
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EXPECT_EQ(lammps_get_natoms(lmp), 2);
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unlink(demo_file);
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unlink(cont_file);
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};
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TEST_F(LAMMPS_commands, from_line)
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{
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EXPECT_EQ(lammps_get_natoms(lmp), 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
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lammps_command(lmp, demo_input[i]);
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}
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if (!verbose) ::testing::internal::GetCapturedStdout();
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EXPECT_EQ(lammps_get_natoms(lmp), 1);
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};
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TEST_F(LAMMPS_commands, from_list)
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{
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EXPECT_EQ(lammps_get_natoms(lmp), 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lammps_commands_list(lmp, sizeof(demo_input) / sizeof(char *), demo_input);
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lammps_commands_list(lmp, sizeof(cont_input) / sizeof(char *), cont_input);
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if (!verbose) ::testing::internal::GetCapturedStdout();
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EXPECT_EQ(lammps_get_natoms(lmp), 2);
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};
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TEST_F(LAMMPS_commands, from_string)
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{
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std::string cmds("");
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for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
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cmds += demo_input[i];
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cmds += "\n";
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}
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for (unsigned int i = 0; i < sizeof(cont_input) / sizeof(char *); ++i) {
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cmds += cont_input[i];
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cmds += "\n";
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}
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EXPECT_EQ(lammps_get_natoms(lmp), 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lammps_commands_string(lmp, cmds.c_str());
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if (!verbose) ::testing::internal::GetCapturedStdout();
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EXPECT_EQ(lammps_get_natoms(lmp), 2);
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};
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