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add tests for "rerun"

This commit is contained in:
Axel Kohlmeyer 2021-04-05 15:39:31 -04:00
parent fc6e10921d
commit 7e57d6a334
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
2 changed files with 115 additions and 8 deletions
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50
unittest/formats/test_dump_atom.cpp
View File

@ -15,6 +15,8 @@
#include "../testing/systems/melt.h"
#include "../testing/utils.h"
#include "fmt/format.h"
#include "output.h"
#include "thermo.h"
#include "utils.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
@ -24,7 +26,7 @@
using ::testing::Eq;
char *BINARY2TXT_BINARY = nullptr;
bool verbose = false;
bool verbose = false;
class DumpAtomTest : public MeltTest {
std::string dump_style = "atom";
@ -46,7 +48,14 @@ public:
command(fmt::format("dump_modify id {}", dump_modify_options));
}
command(fmt::format("run {}", ntimesteps));
command(fmt::format("run {} post no", ntimesteps));
END_HIDE_OUTPUT();
}
void continue_dump(int ntimesteps)
{
BEGIN_HIDE_OUTPUT();
command(fmt::format("run {} pre no post no", ntimesteps));
END_HIDE_OUTPUT();
}
@ -62,7 +71,7 @@ public:
command(fmt::format("dump_modify id1 {}", dump_modify_options));
}
command(fmt::format("run {}", ntimesteps));
command(fmt::format("run {} post no", ntimesteps));
END_HIDE_OUTPUT();
}
@ -446,13 +455,16 @@ TEST_F(DumpAtomTest, binary_triclinic_with_image_run0)
delete_file(converted_file);
}
TEST_F(DumpAtomTest, run1)
TEST_F(DumpAtomTest, run1plus1)
{
auto dump_file = "dump_run1.melt";
auto dump_file = "dump_run1plus1.melt";
generate_dump(dump_file, "", 1);
ASSERT_FILE_EXISTS(dump_file);
ASSERT_EQ(count_lines(dump_file), 82);
continue_dump(1);
ASSERT_FILE_EXISTS(dump_file);
ASSERT_EQ(count_lines(dump_file), 123);
delete_file(dump_file);
}
@ -466,6 +478,34 @@ TEST_F(DumpAtomTest, run2)
delete_file(dump_file);
}
TEST_F(DumpAtomTest, rerun)
{
auto dump_file = "dump_rerun.melt";
HIDE_OUTPUT([&] {
command("fix 1 all nve");
});
generate_dump(dump_file, "format line \"%d %d %20.15g %20.15g %20.15g\"", 1);
double pe_1, pe_2, pe_rerun;
lmp->output->thermo->evaluate_keyword("pe", &pe_1);
ASSERT_FILE_EXISTS(dump_file);
ASSERT_EQ(count_lines(dump_file), 82);
continue_dump(1);
lmp->output->thermo->evaluate_keyword("pe", &pe_2);
ASSERT_FILE_EXISTS(dump_file);
ASSERT_EQ(count_lines(dump_file), 123);
HIDE_OUTPUT([&] {
command(fmt::format("rerun {} first 1 last 1 every 1 post no dump x y z", dump_file));
});
lmp->output->thermo->evaluate_keyword("pe", &pe_rerun);
ASSERT_DOUBLE_EQ(pe_1, pe_rerun);
HIDE_OUTPUT([&] {
command(fmt::format("rerun {} first 2 last 2 every 1 post yes dump x y z", dump_file));
});
lmp->output->thermo->evaluate_keyword("pe", &pe_rerun);
ASSERT_DOUBLE_EQ(pe_2, pe_rerun);
delete_file(dump_file);
}
TEST_F(DumpAtomTest, multi_file_run1)
{
auto dump_file = "dump_run1_*.melt";

73
unittest/formats/test_dump_custom.cpp
View File

@ -15,6 +15,8 @@
#include "../testing/systems/melt.h"
#include "../testing/utils.h"
#include "fmt/format.h"
#include "output.h"
#include "thermo.h"
#include "utils.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
@ -22,7 +24,7 @@
using ::testing::Eq;
char *BINARY2TXT_BINARY = nullptr;
bool verbose = false;
bool verbose = false;
class DumpCustomTest : public MeltTest {
std::string dump_style = "custom";
@ -45,7 +47,14 @@ public:
command(fmt::format("dump_modify id {}", dump_modify_options));
}
command(fmt::format("run {}", ntimesteps));
command(fmt::format("run {} post no", ntimesteps));
END_HIDE_OUTPUT();
}
void continue_dump(int ntimesteps)
{
BEGIN_HIDE_OUTPUT();
command(fmt::format("run {} pre no post no", ntimesteps));
END_HIDE_OUTPUT();
}
@ -62,7 +71,7 @@ public:
command(fmt::format("dump_modify id1 {}", dump_modify_options));
}
command(fmt::format("run {}", ntimesteps));
command(fmt::format("run {} post no", ntimesteps));
END_HIDE_OUTPUT();
}
@ -262,6 +271,64 @@ TEST_F(DumpCustomTest, with_variable_run1)
delete_file(dump_file);
}
TEST_F(DumpCustomTest, run1plus1)
{
auto dump_file = "dump_custom_run1plus1.melt";
auto fields = "id type x y z";
generate_dump(dump_file, fields, "units yes", 1);
ASSERT_FILE_EXISTS(dump_file);
auto lines = read_lines(dump_file);
ASSERT_EQ(lines.size(), 84);
continue_dump(1);
ASSERT_FILE_EXISTS(dump_file);
lines = read_lines(dump_file);
ASSERT_EQ(lines.size(), 125);
delete_file(dump_file);
}
TEST_F(DumpCustomTest, run2)
{
auto dump_file = "dump_custom_run2.melt";
auto fields = "id type x y z";
generate_dump(dump_file, fields, "", 2);
ASSERT_FILE_EXISTS(dump_file);
ASSERT_EQ(count_lines(dump_file), 123);
delete_file(dump_file);
}
TEST_F(DumpCustomTest, rerun)
{
auto dump_file = "dump_rerun.melt";
auto fields = "id type xs ys zs";
HIDE_OUTPUT([&] {
command("fix 1 all nve");
});
generate_dump(dump_file, fields, "format float %20.15g", 1);
double pe_1, pe_2, pe_rerun;
lmp->output->thermo->evaluate_keyword("pe", &pe_1);
ASSERT_FILE_EXISTS(dump_file);
ASSERT_EQ(count_lines(dump_file), 82);
continue_dump(1);
lmp->output->thermo->evaluate_keyword("pe", &pe_2);
ASSERT_FILE_EXISTS(dump_file);
ASSERT_EQ(count_lines(dump_file), 123);
HIDE_OUTPUT([&] {
command(fmt::format("rerun {} first 1 last 1 every 1 post no dump x y z", dump_file));
});
lmp->output->thermo->evaluate_keyword("pe", &pe_rerun);
ASSERT_DOUBLE_EQ(pe_1, pe_rerun);
HIDE_OUTPUT([&] {
command(fmt::format("rerun {} first 2 last 2 every 1 post yes dump x y z", dump_file));
});
lmp->output->thermo->evaluate_keyword("pe", &pe_rerun);
ASSERT_DOUBLE_EQ(pe_2, pe_rerun);
delete_file(dump_file);
}
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);