104 lines
3.0 KiB
C++
104 lines
3.0 KiB
C++
// unit tests for issuing command to a LAMMPS instance through the library interface
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#include "library.h"
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#include "lammps.h"
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#include <string>
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#include "gtest/gtest.h"
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const char *demo_input[] = {
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"region box block 0 $x 0 2 0 2",
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"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[] = {
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"create_atoms 1 single &",
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"0.2 0.1 0.1" };
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class LAMMPS_commands : public ::testing::Test
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{
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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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const char *args[] = {"LAMMPS_test",
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"-log", "none",
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"-echo", "screen",
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"-nocite", "-var","x","2",
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"-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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EXPECT_STREQ(output.substr(0,8).c_str(), "LAMMPS (");
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}
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void TearDown() override {
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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_STREQ(output.substr(0,16).c_str(), "Total wall time:");
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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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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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lammps_file(lmp,demo_file);
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lammps_file(lmp,cont_file);
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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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EXPECT_EQ(lammps_get_natoms(lmp),0);
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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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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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EXPECT_EQ(lammps_get_natoms(lmp),0);
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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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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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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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lammps_commands_string(lmp,cmds.c_str());
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EXPECT_EQ(lammps_get_natoms(lmp),2);
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};
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