More refactoring

This commit is contained in:
Richard Berger
2020-08-17 17:56:33 -04:00
parent e75ba02701
commit d6ea2e9e9b

View File

@ -11,17 +11,61 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "gmock/gmock.h"
#include "gtest/gtest.h"
#include "gmock/gmock.h"
#include "fmt/format.h"
#include "utils.h"
#include "../testing/core.h"
#include "../testing/systems/melt.h"
#include "../testing/utils.h"
using ::testing::Eq;
char * BINARY2TXT_BINARY = nullptr;
class DumpCustomTest : public MeltTest {
std::string dump_style = "custom";
public:
void enable_triclinic() {
if (!verbose) ::testing::internal::CaptureStdout();
command("change_box all triclinic");
if (!verbose) ::testing::internal::GetCapturedStdout();
}
void generate_dump(std::string dump_file, std::string fields, std::string dump_modify_options, int ntimesteps) {
if (!verbose) ::testing::internal::CaptureStdout();
command(fmt::format("dump id all {} 1 {} {}", dump_style, dump_file, fields));
if (!dump_modify_options.empty()) {
command(fmt::format("dump_modify id {}", dump_modify_options));
}
command(fmt::format("run {}", ntimesteps));
if (!verbose) ::testing::internal::GetCapturedStdout();
}
void generate_text_and_binary_dump(std::string text_file, std::string binary_file, std::string fields,
std::string dump_modify_options, int ntimesteps) {
if (!verbose) ::testing::internal::CaptureStdout();
command(fmt::format("dump id0 all {} 1 {} {}", dump_style, text_file, fields));
command(fmt::format("dump id1 all {} 1 {} {}", dump_style, binary_file, fields));
if (!dump_modify_options.empty()) {
command(fmt::format("dump_modify id0 {}", dump_modify_options));
command(fmt::format("dump_modify id1 {}", dump_modify_options));
}
command(fmt::format("run {}", ntimesteps));
if (!verbose) ::testing::internal::GetCapturedStdout();
}
std::string convert_binary_to_text(std::string binary_file) {
if (!verbose) ::testing::internal::CaptureStdout();
std::string cmdline = fmt::format("{} {}", BINARY2TXT_BINARY, binary_file);
system(cmdline.c_str());
if (!verbose) ::testing::internal::GetCapturedStdout();
return fmt::format("{}.txt", binary_file);
}
};
TEST_F(DumpCustomTest, run1)
@ -29,19 +73,14 @@ TEST_F(DumpCustomTest, run1)
auto dump_file = "dump_custom_run1.melt";
auto fields = "id type proc procp1 mass x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
if (!verbose) ::testing::internal::CaptureStdout();
command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));
command("dump_modify id units yes");
command("run 1");
if (!verbose) ::testing::internal::GetCapturedStdout();
generate_dump(dump_file, fields, "units yes", 1);
ASSERT_FILE_EXISTS(dump_file);
auto lines = read_lines(dump_file);
ASSERT_EQ(lines.size(), 84);
ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");
ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp"));
ASSERT_EQ(utils::split_words(lines[7]).size(), 2);
ASSERT_STREQ(lines[10].c_str(), fmt::format("ITEM: ATOMS {}", fields).c_str());
ASSERT_THAT(lines[10], Eq(fmt::format("ITEM: ATOMS {}", fields)));
ASSERT_EQ(utils::split_words(lines[11]).size(), 26);
delete_file(dump_file);
}
@ -51,42 +90,35 @@ TEST_F(DumpCustomTest, thresh_run0)
auto dump_file = "dump_custom_thresh_run0.melt";
auto fields = "id type x y z";
if (!verbose) ::testing::internal::CaptureStdout();
command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));
command("dump_modify id units yes thresh x < 1 thresh y < 1 thresh z < 1");
command("run 0");
if (!verbose) ::testing::internal::GetCapturedStdout();
generate_dump(dump_file, fields, "units yes thresh x < 1 thresh y < 1 thresh z < 1", 0);
ASSERT_FILE_EXISTS(dump_file);
auto lines = read_lines(dump_file);
ASSERT_EQ(lines.size(), 15);
ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");
ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp"));
ASSERT_EQ(utils::split_words(lines[7]).size(), 2);
ASSERT_STREQ(lines[10].c_str(), fmt::format("ITEM: ATOMS {}", fields).c_str());
ASSERT_THAT(lines[10], Eq(fmt::format("ITEM: ATOMS {}", fields)));
ASSERT_EQ(utils::split_words(lines[11]).size(), 5);
delete_file(dump_file);
}
TEST_F(DumpCustomTest, compute_run0)
{
if (!verbose) ::testing::internal::CaptureStdout();
command("compute comp all property/atom x y z");
if (!verbose) ::testing::internal::GetCapturedStdout();
auto dump_file = "dump_custom_compute_run0.melt";
auto fields = "id type x y z c_comp[1] c_comp[2] c_comp[3]";
if (!verbose) ::testing::internal::CaptureStdout();
command("compute comp all property/atom x y z");
command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));
command("dump_modify id units yes");
command("run 0");
if (!verbose) ::testing::internal::GetCapturedStdout();
generate_dump(dump_file, fields, "units yes", 0);
ASSERT_FILE_EXISTS(dump_file);
auto lines = read_lines(dump_file);
ASSERT_EQ(lines.size(), 43);
ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");
ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp"));
ASSERT_EQ(utils::split_words(lines[7]).size(), 2);
ASSERT_STREQ(lines[10].c_str(), fmt::format("ITEM: ATOMS {}", fields).c_str());
ASSERT_THAT(lines[10], Eq(fmt::format("ITEM: ATOMS {}", fields)));
ASSERT_EQ(utils::split_words(lines[11]).size(), 8);
delete_file(dump_file);
}