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add tests for run command

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This commit is contained in:
Axel Kohlmeyer
2025-07-16 17:50:15 -04:00
parent f80b015e27
commit 58948b71a9
1 changed files with 58 additions and 0 deletions
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58
unittest/commands/test_simple_commands.cpp
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@ -13,6 +13,7 @@
#include "lammps.h"
#include "atom.h"
#include "citeme.h"
#include "comm.h"
#include "force.h"
@ -597,6 +598,63 @@ TEST_F(SimpleCommandsTest, Geturl)
platform::unlink("myindex.html");
}
TEST_F(SimpleCommandsTest, run)
{
bool caught = false;
try {
BEGIN_HIDE_OUTPUT();
command("run 0");
} catch (LAMMPSException &e) {
END_HIDE_OUTPUT();
EXPECT_THAT(e.what(), ContainsRegex("ERROR: Run command before simulation box is defined"));
caught = true;
} catch (std::exception &e) {
END_HIDE_OUTPUT();
GTEST_FAIL() << "Invalid exception: " << e.what() << "\n";
}
ASSERT_TRUE(caught);
BEGIN_HIDE_OUTPUT();
command("region box block 0 1 0 1 0 1");
command("create_box 1 box");
command("mass 1 1.0");
command("run 10 post no");
END_HIDE_OUTPUT();
EXPECT_EQ(lmp->update->ntimestep, 10);
BEGIN_HIDE_OUTPUT();
command("run 15 upto post yes");
END_HIDE_OUTPUT();
EXPECT_EQ(lmp->update->ntimestep, 15);
TEST_FAILURE(".*ERROR: Illegal run start command: missing arg.*", command("run 10 start"););
TEST_FAILURE(".*ERROR: Illegal run stop command: missing arg.*", command("run 10 stop"););
TEST_FAILURE(".*ERROR: Illegal run every command: missing arg.*", command("run 10 every"););
TEST_FAILURE(".*ERROR: Unknown run keyword: xxx", command("run 10 xxx"););
TEST_FAILURE(".*ERROR: Invalid run command upto value: 10.*", command("run 10 upto"););
TEST_FAILURE(".*ERROR: Invalid run command start value: -10.*", command("run 10 start -10"););
TEST_FAILURE(".*ERROR: Run command start value 20 is after start of run at step 15.*",
command("run 10 start 20"););
TEST_FAILURE(".*ERROR: Invalid run command stop value: -10.*", command("run 10 stop -10"););
TEST_FAILURE(".*ERROR: Run command stop value 20 is before end of run at step 25.*",
command("run 10 stop 20"););
BEGIN_HIDE_OUTPUT();
command("run 15 post no start 0 stop 100");
END_HIDE_OUTPUT();
EXPECT_EQ(lmp->update->ntimestep, 30);
EXPECT_DOUBLE_EQ(lmp->atom->mass[1], 1.0);
BEGIN_HIDE_OUTPUT();
command("run 10 post no every 5 \"mass 1 2.0\"");
END_HIDE_OUTPUT();
EXPECT_EQ(lmp->update->ntimestep, 40);
EXPECT_DOUBLE_EQ(lmp->atom->mass[1], 2.0);
BEGIN_HIDE_OUTPUT();
command("run 20 post no every 5 NULL");
END_HIDE_OUTPUT();
EXPECT_EQ(lmp->update->ntimestep, 60);
}
} // namespace LAMMPS_NS
int main(int argc, char **argv)