forked from lijiext/lammps
115 lines
3.5 KiB
C++
115 lines
3.5 KiB
C++
// unit tests for issuing command to a LAMMPS instance through the Input class
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#include "lammps.h"
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#include "input.h"
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#include "atom.h"
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#include "memory.h"
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#include <mpi.h>
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#include <string>
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#include <cstring>
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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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namespace LAMMPS_NS
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{
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class Input_commands : public ::testing::Test
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{
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protected:
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LAMMPS *lmp;
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Input_commands() {
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const char *args[] = {"LAMMPS_test"};
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char **argv = (char **)args;
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int argc = sizeof(args)/sizeof(char *);
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int flag;
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MPI_Initialized(&flag);
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if (!flag) MPI_Init(&argc,&argv);
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}
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~Input_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",
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"-var", "zpos", "1.5",
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"-var","x","2"};
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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 = new LAMMPS(argc, argv, MPI_COMM_WORLD);
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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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delete 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(Input_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(lmp->atom->natoms,0);
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lmp->input->file(demo_file);
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lmp->input->file(cont_file);
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EXPECT_EQ(lmp->atom->natoms,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(Input_commands, from_line) {
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EXPECT_EQ(lmp->atom->natoms,0);
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for (unsigned int i=0; i < sizeof(demo_input)/sizeof(char *); ++i) {
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lmp->input->one(demo_input[i]);
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}
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EXPECT_EQ(lmp->atom->natoms,1);
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};
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TEST_F(Input_commands, substitute) {
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char *string,*scratch;
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int nstring=100,nscratch=100;
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lmp->memory->create(string,nstring,"test:string");
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lmp->memory->create(scratch,nscratch,"test:scratch");
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strcpy(string,demo_input[0]);
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lmp->input->substitute(string,scratch,nstring,nscratch,0);
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EXPECT_STREQ(string,"region box block 0 2 0 2 0 2");
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strcpy(string,demo_input[2]);
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lmp->input->substitute(string,scratch,nstring,nscratch,0);
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EXPECT_STREQ(string,"create_atoms 1 single 1.0 1.0 1.5");
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lmp->memory->destroy(string);
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lmp->memory->destroy(scratch);
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};
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}
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