add unit tests for the suffix, thermo, and timestep commands

#include "info.h"

#include "input.h"

#include "lammps.h"

#include "output.h"

#include "update.h"

#include "utils.h"

#include "gmock/gmock.h"

    remove("simple_command_test.log");

}

TEST_F(SimpleCommandsTest, Suffix)

{

    ASSERT_EQ(lmp->suffix_enable, 0);

    ASSERT_EQ(lmp->suffix, nullptr);

    ASSERT_EQ(lmp->suffix2, nullptr);

    ::testing::internal::CaptureStdout();

    TEST_FAILURE(lmp->input->one("suffix on"););

    auto mesg = ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(mesg, MatchesRegex(".*ERROR: May only enable suffixes after defining one.*"));

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("suffix one");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(lmp->suffix, StrEq("one"));

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("suffix hybrid two three");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(lmp->suffix, StrEq("two"));

    ASSERT_THAT(lmp->suffix2, StrEq("three"));

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("suffix four");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(lmp->suffix, StrEq("four"));

    ASSERT_EQ(lmp->suffix2, nullptr);

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("suffix off");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_EQ(lmp->suffix_enable, 0);

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("suffix on");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_EQ(lmp->suffix_enable, 1);

    ::testing::internal::CaptureStdout();

    TEST_FAILURE(lmp->input->one("suffix"););

    mesg = ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal suffix command.*"));

    ::testing::internal::CaptureStdout();

    TEST_FAILURE(lmp->input->one("suffix hybrid"););

    mesg = ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal suffix command.*"));

    ::testing::internal::CaptureStdout();

    TEST_FAILURE(lmp->input->one("suffix hybrid one"););

    mesg = ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal suffix command.*"));

}

TEST_F(SimpleCommandsTest, Thermo)

{

    ASSERT_EQ(lmp->output->thermo_every, 0);

    ASSERT_EQ(lmp->output->var_thermo, nullptr);

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("thermo 2");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_EQ(lmp->output->thermo_every, 2);

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("variable step equal logfreq(10,3,10)");

    lmp->input->one("thermo v_step");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(lmp->output->var_thermo, StrEq("step"));

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("thermo 10");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_EQ(lmp->output->thermo_every, 10);

    ASSERT_EQ(lmp->output->var_thermo, nullptr);

    ::testing::internal::CaptureStdout();

    TEST_FAILURE(lmp->input->one("thermo"););

    auto mesg = ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal thermo command.*"));

    ::testing::internal::CaptureStdout();

    TEST_FAILURE(lmp->input->one("thermo -1"););

    mesg = ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal thermo command.*"));

    ::testing::internal::CaptureStdout();

    TEST_FAILURE(lmp->input->one("thermo xxx"););

    mesg = ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Expected integer.*"));

}

TEST_F(SimpleCommandsTest, TimeStep)

{

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("timestep 1");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_EQ(lmp->update->dt, 1.0);

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("timestep 0.1");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_EQ(lmp->update->dt, 0.1);

    // zero timestep is legal and works (atoms don't move)

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("timestep 0.0");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_EQ(lmp->update->dt, 0.0);

    // negative timestep also creates a viable MD.

    if (!verbose) ::testing::internal::CaptureStdout();

    lmp->input->one("timestep -0.1");

    if (!verbose) ::testing::internal::GetCapturedStdout();

    ASSERT_EQ(lmp->update->dt, -0.1);

    ::testing::internal::CaptureStdout();

    TEST_FAILURE(lmp->input->one("timestep"););

    auto mesg = ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal timestep command.*"));

    ::testing::internal::CaptureStdout();

    TEST_FAILURE(lmp->input->one("timestep xxx"););

    mesg = ::testing::internal::GetCapturedStdout();

    ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Expected floating point.*"));

}

TEST_F(SimpleCommandsTest, Units)

{

    const char *names[] = {"lj", "real", "metal", "si", "cgs", "electron", "micro", "nano"};