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

Refactor and add fix python/invoke tests

Browse Source
This commit is contained in:
Richard Berger
2021-03-24 16:33:39 -04:00
parent b15502ddc8
commit 45191e9f7c
3 changed files with 117 additions and 72 deletions
Download Patch File Download Diff File Expand all files Collapse all files

46
unittest/testing/core.h
View File

@ -16,9 +16,12 @@
#include "info.h"
#include "input.h"
#include "lammps.h"
#include "variable.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
#include <functional>
using namespace LAMMPS_NS;
using ::testing::MatchesRegex;
@ -45,29 +48,58 @@ class LAMMPSTest : public ::testing::Test {
public:
void command(const std::string &line) { lmp->input->one(line.c_str()); }
void HIDE_OUTPUT(std::function<void()> f) {
if (!verbose) ::testing::internal::CaptureStdout();
f();
if (!verbose) ::testing::internal::GetCapturedStdout();
}
std::string CAPTURE_OUTPUT(std::function<void()> f) {
::testing::internal::CaptureStdout();
f();
auto output = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << output;
return output;
}
double get_variable_value(const std::string & name) {
char * str = utils::strdup(fmt::format("v_{}", name));
double value = lmp->input->variable->compute_equal(str);
delete [] str;
return value;
}
std::string get_variable_string(const std::string & name) {
return lmp->input->variable->retrieve(name.c_str());
}
protected:
const char *testbinary = "LAMMPSTest";
LAMMPS *lmp;
Info *info;
void SetUp() override
{
const char *args[] = {testbinary, "-log", "none", "-echo", "screen", "-nocite"};
char **argv = (char **)args;
int argc = sizeof(args) / sizeof(char *);
if (!verbose) ::testing::internal::CaptureStdout();
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
HIDE_OUTPUT([&] {
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
info = new Info(lmp);
});
InitSystem();
if (!verbose) ::testing::internal::GetCapturedStdout();
}
virtual void InitSystem() {}
void TearDown() override
{
if (!verbose) ::testing::internal::CaptureStdout();
delete lmp;
lmp = nullptr;
if (!verbose) ::testing::internal::GetCapturedStdout();
HIDE_OUTPUT([&] {
delete info;
delete lmp;
info = nullptr;
lmp = nullptr;
});
}
};

28
unittest/testing/systems/melt.h
View File

@ -19,23 +19,25 @@ class MeltTest : public LAMMPSTest {
protected:
virtual void InitSystem() override
{
command("units lj");
command("atom_style atomic");
command("atom_modify map yes");
HIDE_OUTPUT([&] {
command("units lj");
command("atom_style atomic");
command("atom_modify map yes");
command("lattice fcc 0.8442");
command("region box block 0 2 0 2 0 2");
command("create_box 1 box");
command("create_atoms 1 box");
command("mass 1 1.0");
command("lattice fcc 0.8442");
command("region box block 0 2 0 2 0 2");
command("create_box 1 box");
command("create_atoms 1 box");
command("mass 1 1.0");
command("velocity all create 3.0 87287");
command("velocity all create 3.0 87287");
command("pair_style lj/cut 2.5");
command("pair_coeff 1 1 1.0 1.0 2.5");
command("pair_style lj/cut 2.5");
command("pair_coeff 1 1 1.0 1.0 2.5");
command("neighbor 0.3 bin");
command("neigh_modify every 20 delay 0 check no");
command("neighbor 0.3 bin");
command("neigh_modify every 20 delay 0 check no");
});
}
};