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Refactor and add fix python/invoke tests

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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
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115
unittest/python/test_python_package.cpp
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@ -24,14 +24,14 @@
#include <vector> #include <vector>
#include <functional> #include <functional>
#include "../testing/core.h"
#include "../testing/systems/melt.h"
// location of '*.py' files required by tests // location of '*.py' files required by tests
#define STRINGIFY(val) XSTR(val) #define STRINGIFY(val) XSTR(val)
#define XSTR(val) #val #define XSTR(val) #val
std::string INPUT_FOLDER = STRINGIFY(TEST_INPUT_FOLDER); std::string INPUT_FOLDER = STRINGIFY(TEST_INPUT_FOLDER);
// whether to print verbose output (i.e. not capturing LAMMPS screen output).
bool verbose = false;
const char * LOREM_IPSUM = "Lorem ipsum dolor sit amet, consectetur adipiscing elit. Praesent metus."; const char * LOREM_IPSUM = "Lorem ipsum dolor sit amet, consectetur adipiscing elit. Praesent metus.";
using LAMMPS_NS::utils::split_words; using LAMMPS_NS::utils::split_words;
@ -42,51 +42,12 @@ using ::testing::StrEq;
using ::testing::Eq; using ::testing::Eq;
using ::testing::HasSubstr; using ::testing::HasSubstr;
class PythonPackageTest : public ::testing::Test { class PythonPackageTest : public LAMMPSTest {
protected: protected:
LAMMPS *lmp; void InitSystem() override
Info *info;
void command(const std::string &line) { lmp->input->one(line.c_str()); }
void command_string(const std::string &lines) { lammps_commands_string(lmp, lines.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());
}
void SetUp() override
{ {
const char *args[] = {"PythonPackageTest", "-log", "none", "-echo", "screen", "-nocite"};
char **argv = (char **)args;
int argc = sizeof(args) / sizeof(char *);
HIDE_OUTPUT([&] {
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
});
ASSERT_NE(lmp, nullptr);
info = new Info(lmp);
if (!info->has_package("PYTHON")) GTEST_SKIP(); if (!info->has_package("PYTHON")) GTEST_SKIP();
HIDE_OUTPUT([&] { HIDE_OUTPUT([&] {
command("units real"); command("units real");
command("dimension 3"); command("dimension 3");
@ -100,15 +61,15 @@ protected:
command("variable input_dir index " + INPUT_FOLDER); command("variable input_dir index " + INPUT_FOLDER);
}); });
} }
};
void TearDown() override class FixPythonInvokeTest : public MeltTest {
protected:
void InitSystem() override
{ {
HIDE_OUTPUT([&] { if (!info->has_package("PYTHON")) GTEST_SKIP();
delete info;
delete lmp; MeltTest::InitSystem();
info = nullptr;
lmp = nullptr;
});
} }
}; };
@ -309,6 +270,56 @@ TEST_F(PythonPackageTest, RunSourceInline)
ASSERT_THAT(output, HasSubstr("4")); ASSERT_THAT(output, HasSubstr("4"));
} }
TEST_F(FixPythonInvokeTest, end_of_step)
{
HIDE_OUTPUT([&] {
command("python end_of_step_callback here \"\"\"\n"
"from __future__ import print_function\n"
"def end_of_step_callback(ptr):\n"
" print(\"PYTHON_END_OF_STEP\")\n"
"\"\"\"");
command("fix eos all python/invoke 10 end_of_step end_of_step_callback");
});
auto output = CAPTURE_OUTPUT([&] {
command("run 50");
});
auto lines = utils::split_lines(output);
int count = 0;
for(auto & line : lines) {
if (line == "PYTHON_END_OF_STEP") ++count;
}
ASSERT_EQ(count, 5);
}
TEST_F(FixPythonInvokeTest, post_force)
{
HIDE_OUTPUT([&] {
command("python post_force_callback here \"\"\"\n"
"from __future__ import print_function\n"
"def post_force_callback(ptr, vflag):\n"
" print(\"PYTHON_POST_FORCE\")\n"
"\"\"\"");
command("fix pf all python/invoke 10 post_force post_force_callback");
});
auto output = CAPTURE_OUTPUT([&] {
command("run 50");
});
auto lines = utils::split_lines(output);
int count = 0;
for(auto & line : lines) {
if (line == "PYTHON_POST_FORCE") ++count;
}
ASSERT_EQ(count, 5);
}
} // namespace LAMMPS_NS } // namespace LAMMPS_NS
int main(int argc, char **argv) int main(int argc, char **argv)

46
unittest/testing/core.h
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@ -16,9 +16,12 @@
#include "info.h" #include "info.h"
#include "input.h" #include "input.h"
#include "lammps.h" #include "lammps.h"
#include "variable.h"
#include "gmock/gmock.h" #include "gmock/gmock.h"
#include "gtest/gtest.h" #include "gtest/gtest.h"
#include <functional>
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
using ::testing::MatchesRegex; using ::testing::MatchesRegex;
@ -45,29 +48,58 @@ class LAMMPSTest : public ::testing::Test {
public: public:
void command(const std::string &line) { lmp->input->one(line.c_str()); } 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: protected:
const char *testbinary = "LAMMPSTest"; const char *testbinary = "LAMMPSTest";
LAMMPS *lmp; LAMMPS *lmp;
Info *info;
void SetUp() override void SetUp() override
{ {
const char *args[] = {testbinary, "-log", "none", "-echo", "screen", "-nocite"}; const char *args[] = {testbinary, "-log", "none", "-echo", "screen", "-nocite"};
char **argv = (char **)args; char **argv = (char **)args;
int argc = sizeof(args) / sizeof(char *); int argc = sizeof(args) / sizeof(char *);
if (!verbose) ::testing::internal::CaptureStdout(); HIDE_OUTPUT([&] {
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD); lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
info = new Info(lmp);
});
InitSystem(); InitSystem();
if (!verbose) ::testing::internal::GetCapturedStdout();
} }
virtual void InitSystem() {} virtual void InitSystem() {}
void TearDown() override void TearDown() override
{ {
if (!verbose) ::testing::internal::CaptureStdout(); HIDE_OUTPUT([&] {
delete lmp; delete info;
lmp = nullptr; delete lmp;
if (!verbose) ::testing::internal::GetCapturedStdout(); info = nullptr;
lmp = nullptr;
});
} }
}; };

28
unittest/testing/systems/melt.h
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@ -19,23 +19,25 @@ class MeltTest : public LAMMPSTest {
protected: protected:
virtual void InitSystem() override virtual void InitSystem() override
{ {
command("units lj"); HIDE_OUTPUT([&] {
command("atom_style atomic"); command("units lj");
command("atom_modify map yes"); command("atom_style atomic");
command("atom_modify map yes");
command("lattice fcc 0.8442"); command("lattice fcc 0.8442");
command("region box block 0 2 0 2 0 2"); command("region box block 0 2 0 2 0 2");
command("create_box 1 box"); command("create_box 1 box");
command("create_atoms 1 box"); command("create_atoms 1 box");
command("mass 1 1.0"); 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_style lj/cut 2.5");
command("pair_coeff 1 1 1.0 1.0 2.5"); command("pair_coeff 1 1 1.0 1.0 2.5");
command("neighbor 0.3 bin"); command("neighbor 0.3 bin");
command("neigh_modify every 20 delay 0 check no"); command("neigh_modify every 20 delay 0 check no");
});
} }
}; };