ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

reuse existing code. add tests for write_data

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-04-24 07:14:04 -04:00
parent 2c4017d3ac
commit e980d17882
1 changed files with 117 additions and 38 deletions
Download Patch File Download Diff File Expand all files Collapse all files

155
unittest/formats/test_file_operations.cpp
View File

@ -12,6 +12,7 @@
------------------------------------------------------------------------- */
#include "../testing/core.h"
#include "../testing/utils.h"
#include "atom.h"
#include "domain.h"
#include "info.h"
@ -45,13 +46,10 @@ protected:
LAMMPSTest::SetUp();
ASSERT_NE(lmp, nullptr);
FILE *fp = fopen("safe_file_read_test.txt", "wb");
ASSERT_NE(fp, nullptr);
fputs("one line\n", fp);
fputs("two_lines\n", fp);
fputs("\n", fp);
fputs("no newline", fp);
fclose(fp);
std::ofstream out("safe_file_read_test.txt", std::ios_base::out | std::ios_base::binary);
ASSERT_TRUE(out.good());
out << "one line\ntwo_lines\n\nno newline";
out.close();
}
void TearDown() override
@ -59,13 +57,6 @@ protected:
LAMMPSTest::TearDown();
remove("safe_file_read_test.txt");
}
bool file_exists(const char *file)
{
FILE *fp = fopen(file, "r");
fclose(fp);
return fp ? true : false;
}
};
#define MAX_BUF_SIZE 128
@ -73,7 +64,7 @@ TEST_F(FileOperationsTest, safe_fgets)
{
char buf[MAX_BUF_SIZE];
FILE *fp = fopen("safe_file_read_test.txt", "r");
FILE *fp = fopen("safe_file_read_test.txt", "rb");
ASSERT_NE(fp, nullptr);
memset(buf, 0, MAX_BUF_SIZE);
@ -109,7 +100,7 @@ TEST_F(FileOperationsTest, safe_fread)
{
char buf[MAX_BUF_SIZE];
FILE *fp = fopen("safe_file_read_test.txt", "r");
FILE *fp = fopen("safe_file_read_test.txt", "rb");
ASSERT_NE(fp, nullptr);
memset(buf, 0, MAX_BUF_SIZE);
@ -154,7 +145,7 @@ TEST_F(FileOperationsTest, logmesg)
remove("test_logmesg.log");
}
TEST_F(FileOperationsTest, restart)
TEST_F(FileOperationsTest, write_restart)
{
BEGIN_HIDE_OUTPUT();
command("echo none");
@ -179,16 +170,16 @@ TEST_F(FileOperationsTest, restart)
if (info->has_package("MPIIO")) command("write_restart test.restart.mpiio");
END_HIDE_OUTPUT();
ASSERT_TRUE(file_exists("noinit.restart"));
ASSERT_TRUE(file_exists("test.restart"));
ASSERT_TRUE(file_exists("step333.restart"));
ASSERT_TRUE(file_exists("multi-base.restart"));
ASSERT_TRUE(file_exists("multi-0.restart"));
ASSERT_TRUE(file_exists("multi2-base.restart"));
ASSERT_TRUE(file_exists("multi2-0.restart"));
ASSERT_TRUE(file_exists("multi3-base.restart"));
ASSERT_TRUE(file_exists("multi3-0.restart"));
if (info->has_package("MPIIO")) ASSERT_TRUE(file_exists("test.restart.mpiio"));
ASSERT_FILE_EXISTS("noinit.restart");
ASSERT_FILE_EXISTS("test.restart");
ASSERT_FILE_EXISTS("step333.restart");
ASSERT_FILE_EXISTS("multi-base.restart");
ASSERT_FILE_EXISTS("multi-0.restart");
ASSERT_FILE_EXISTS("multi2-base.restart");
ASSERT_FILE_EXISTS("multi2-0.restart");
ASSERT_FILE_EXISTS("multi3-base.restart");
ASSERT_FILE_EXISTS("multi3-0.restart");
if (info->has_package("MPIIO")) ASSERT_FILE_EXISTS("test.restart.mpiio");
if (!info->has_package("MPIIO")) {
TEST_FAILURE(".*ERROR: Illegal write_restart command.*",
@ -237,17 +228,105 @@ TEST_F(FileOperationsTest, restart)
ASSERT_EQ(lmp->domain->triclinic, 1);
// clean up
unlink("noinit.restart");
unlink("test.restart");
unlink("step333.restart");
unlink("multi-base.restart");
unlink("multi-0.restart");
unlink("multi2-base.restart");
unlink("multi2-0.restart");
unlink("multi3-base.restart");
unlink("multi3-0.restart");
unlink("triclinic.restart");
if (info->has_package("MPIIO")) unlink("test.restart.mpiio");
delete_file("noinit.restart");
delete_file("test.restart");
delete_file("step333.restart");
delete_file("multi-base.restart");
delete_file("multi-0.restart");
delete_file("multi2-base.restart");
delete_file("multi2-0.restart");
delete_file("multi3-base.restart");
delete_file("multi3-0.restart");
delete_file("triclinic.restart");
if (info->has_package("MPIIO")) delete_file("test.restart.mpiio");
}
TEST_F(FileOperationsTest, write_data)
{
BEGIN_HIDE_OUTPUT();
command("echo none");
END_HIDE_OUTPUT();
TEST_FAILURE(".*ERROR: Write_data command before simulation box is defined.*",
command("write_data test.data"););
BEGIN_HIDE_OUTPUT();
command("region box block -2 2 -2 2 -2 2");
command("create_box 2 box");
command("create_atoms 1 single 0.5 0.0 0.0");
command("pair_style zero 1.0");
command("pair_coeff * *");
command("mass * 1.0");
command("reset_timestep 333");
command("write_data noinit.data");
command("write_data nocoeff.data nocoeff");
command("run 0 post no");
command("write_data test.data");
command("write_data step*.data pair ij");
command("fix q all property/atom q");
command("set type 1 charge -0.5");
command("write_data charge.data");
command("write_data nofix.data nofix");
END_HIDE_OUTPUT();
ASSERT_FILE_EXISTS("noinit.data");
ASSERT_EQ(count_lines("noinit.data"), 26);
ASSERT_FILE_EXISTS("test.data");
ASSERT_EQ(count_lines("test.data"), 26);
ASSERT_FILE_EXISTS("step333.data");
ASSERT_EQ(count_lines("step333.data"), 27);
ASSERT_FILE_EXISTS("nocoeff.data");
ASSERT_EQ(count_lines("nocoeff.data"), 21);
ASSERT_FILE_EXISTS("nofix.data");
ASSERT_EQ(count_lines("nofix.data"), 26);
ASSERT_FILE_EXISTS("charge.data");
ASSERT_EQ(count_lines("charge.data"), 30);
TEST_FAILURE(".*ERROR: Illegal write_data command.*", command("write_data"););
TEST_FAILURE(".*ERROR: Illegal write_data command.*", command("write_data test.data xxxx"););
TEST_FAILURE(".*ERROR on proc 0: Cannot open data file some_crazy_dir/test.data:"
" No such file or directory.*",
command("write_data some_crazy_dir/test.data"););
BEGIN_HIDE_OUTPUT();
command("clear");
END_HIDE_OUTPUT();
ASSERT_EQ(lmp->domain->box_exist, 0);
ASSERT_EQ(lmp->atom->natoms, 0);
ASSERT_EQ(lmp->update->ntimestep, 0);
ASSERT_EQ(lmp->domain->triclinic, 0);
TEST_FAILURE(".*ERROR: Cannot open file noexist.data: No such file or directory.*",
command("read_data noexist.data"););
BEGIN_HIDE_OUTPUT();
command("pair_style zero 1.0");
command("read_data step333.data");
command("change_box all triclinic");
command("write_data triclinic.data");
END_HIDE_OUTPUT();
ASSERT_EQ(lmp->atom->natoms, 1);
ASSERT_EQ(lmp->update->ntimestep, 0);
ASSERT_EQ(lmp->domain->triclinic, 1);
BEGIN_HIDE_OUTPUT();
command("clear");
END_HIDE_OUTPUT();
ASSERT_EQ(lmp->atom->natoms, 0);
ASSERT_EQ(lmp->domain->triclinic, 0);
BEGIN_HIDE_OUTPUT();
command("pair_style zero 1.0");
command("read_data triclinic.data");
END_HIDE_OUTPUT();
ASSERT_EQ(lmp->atom->natoms, 1);
ASSERT_EQ(lmp->domain->triclinic, 1);
// clean up
delete_file("charge.data");
delete_file("nocoeff.data");
delete_file("noinit.data");
delete_file("nofix.data");
delete_file("test.data");
delete_file("step333.data");
delete_file("triclinic.data");
}
int main(int argc, char **argv)