Unverified Commit 68df62b8 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

support verbose option

parent cac4c5d9

unittest/commands/test_kim_commands.cpp

+31 −34
Original line number Diff line number Diff line
@@ -15,9 +15,9 @@ 
#include "info.h"

#include "input.h"

#include "lammps.h"

#include "lmppython.h"

#include "modify.h"

#include "utils.h"

#include "lmppython.h"

#include "variable.h"

#include "gmock/gmock.h"

#include "gtest/gtest.h"
@@ -82,8 +82,7 @@ TEST_F(KimCommandsTest, kim_init) 
{

    if (!LAMMPS::is_installed_pkg("KIM")) GTEST_SKIP();



    TEST_FAILURE(".*ERROR: Illegal kim_init command.*",

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

    TEST_FAILURE(".*ERROR: Illegal kim_init command.*", lmp->input->one("kim_init"););

    TEST_FAILURE(".*ERROR: Illegal kim_init command.*",

                 lmp->input->one("kim_init LennardJones_Ar real si"););

    TEST_FAILURE(".*ERROR: LAMMPS unit_style lj not supported by KIM models.*",
@@ -95,9 +94,9 @@ TEST_F(KimCommandsTest, kim_init) 
    TEST_FAILURE(".*ERROR: Incompatible units for KIM Simulator Model, required units = metal.*",

                 lmp->input->one("kim_init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu real"););



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

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

    lmp->input->one("kim_init LennardJones_Ar real");

    ::testing::internal::GetCapturedStdout();

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



    int ifix = lmp->modify->find_fix("KIM_MODEL_STORE");

    ASSERT_GE(ifix, 0);
@@ -110,70 +109,70 @@ TEST_F(KimCommandsTest, kim_interactions) 
    TEST_FAILURE(".*ERROR: Illegal kim_interactions command.*",

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



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

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

    lmp->input->one("kim_init LennardJones_Ar real");

    ::testing::internal::GetCapturedStdout();

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



    TEST_FAILURE(".*ERROR: Must use 'kim_interactions' command "

                 "after simulation box is defined.*",

                 lmp->input->one("kim_interactions Ar"););



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

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

    lmp->input->one("kim_init LennardJones_Ar real");

    lmp->input->one("lattice fcc 4.4300");

    lmp->input->one("region box block 0 10 0 10 0 10");

    lmp->input->one("create_box 1 box");

    lmp->input->one("create_atoms 1 box");

    ::testing::internal::GetCapturedStdout();

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



    TEST_FAILURE(".*ERROR: Illegal kim_interactions command.*",

                 lmp->input->one("kim_interactions Ar Ar"););



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

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

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

    lmp->input->one("lattice fcc 4.4300");

    lmp->input->one("region box block 0 10 0 10 0 10");

    lmp->input->one("create_box 1 box");

    lmp->input->one("create_atoms 1 box");

    ::testing::internal::GetCapturedStdout();

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



    TEST_FAILURE(".*ERROR: Must use 'kim_init' before 'kim_interactions'.*",

                 lmp->input->one("kim_interactions Ar"););



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

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

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

    lmp->input->one("kim_init LennardJones_Ar real");

    lmp->input->one("lattice fcc 4.4300");

    lmp->input->one("region box block 0 10 0 10 0 10");

    lmp->input->one("create_box 1 box");

    lmp->input->one("create_atoms 1 box");

    ::testing::internal::GetCapturedStdout();

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



    TEST_FAILURE(".*ERROR: fixed_types cannot be used with a KIM Portable Model.*",

                 lmp->input->one("kim_interactions fixed_types"););



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

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

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

    lmp->input->one("units real");

    lmp->input->one("pair_style kim LennardJones_Ar");

    lmp->input->one("region box block 0 1 0 1 0 1");

    lmp->input->one("create_box 4 box");

    lmp->input->one("pair_coeff * * Ar Ar Ar Ar");

    ::testing::internal::GetCapturedStdout();

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



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

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

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

    lmp->input->one("kim_init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu metal");

    lmp->input->one("lattice fcc 4.920");

    lmp->input->one("region box block 0 10 0 10 0 10");

    lmp->input->one("create_box 1 box");

    lmp->input->one("create_atoms 1 box");

    ::testing::internal::GetCapturedStdout();

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



    TEST_FAILURE(".*ERROR: Species 'Ar' is not supported by this KIM Simulator Model.*",

                 lmp->input->one("kim_interactions Ar"););



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

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

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

    lmp->input->one("kim_init LennardJones_Ar real");

    lmp->input->one("lattice fcc 4.4300");
@@ -182,7 +181,7 @@ TEST_F(KimCommandsTest, kim_interactions) 
    lmp->input->one("create_atoms 1 box");

    lmp->input->one("kim_interactions Ar");

    lmp->input->one("mass 1 39.95");

    ::testing::internal::GetCapturedStdout();

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



    int ifix = lmp->modify->find_fix("KIM_MODEL_STORE");

    ASSERT_GE(ifix, 0);
@@ -192,26 +191,25 @@ TEST_F(KimCommandsTest, kim_param) 
{

    if (!LAMMPS::is_installed_pkg("KIM")) GTEST_SKIP();



    TEST_FAILURE(".*ERROR: Illegal kim_param command.*",

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

    TEST_FAILURE(".*ERROR: Illegal kim_param command.*", lmp->input->one("kim_param"););

    TEST_FAILURE(".*ERROR: Incorrect arguments in kim_param command.\n"

                 "'kim_param get/set' is mandatory.*",

                 lmp->input->one("kim_param unknown shift 1 shift"););

    TEST_FAILURE(".*ERROR: Must use 'kim_init' before 'kim_param'.*",

                 lmp->input->one("kim_param get shift 1 shift"););



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

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

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

    lmp->input->one("kim_init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu metal");

    ::testing::internal::GetCapturedStdout();

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



    TEST_FAILURE(".*ERROR: kim_param can only be used with a KIM Portable Model.*",

                 lmp->input->one("kim_param get shift 1 shift"););



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

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

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

    lmp->input->one("kim_init LennardJones612_UniversalShifted__MO_959249795837_003 real");

    ::testing::internal::GetCapturedStdout();

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



    TEST_FAILURE(".*ERROR: Illegal index '0' for "

                 "'shift' parameter with the extent of '1'.*",
@@ -241,14 +239,14 @@ TEST_F(KimCommandsTest, kim_param) 
                 "'pair_style kim' before 'kim_param set'.*",

                 lmp->input->one("kim_param set shift 1 2"););



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

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

    lmp->input->one("kim_param get shift 1 shift");

    ::testing::internal::GetCapturedStdout();

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



    ASSERT_FALSE(lmp->input->variable->find("shift") == -1);

    ASSERT_TRUE(std::string(lmp->input->variable->retrieve("shift")) == std::string("1"));



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

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

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

    lmp->input->one("kim_init LennardJones612_UniversalShifted__MO_959249795837_003 real");

    lmp->input->one("lattice fcc 4.4300");
@@ -257,7 +255,7 @@ TEST_F(KimCommandsTest, kim_param) 
    lmp->input->one("create_atoms 1 box");

    lmp->input->one("kim_interactions Ar");

    lmp->input->one("mass 1 39.95");

    ::testing::internal::GetCapturedStdout();

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



    TEST_FAILURE(".*ERROR: Illegal index '2' for "

                 "'shift' parameter with the extent of '1'.*",
@@ -274,11 +272,11 @@ TEST_F(KimCommandsTest, kim_param) 
                 "Model does not have the requested '0.4989030' parameter.*",

                 lmp->input->one("kim_param set sigmas 1:1 0.5523570 0.4989030"););



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

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

    lmp->input->one("variable new_shift equal 2");

    lmp->input->one("kim_param set shift 1 ${new_shift}");

    lmp->input->one("kim_param get shift 1 shift");

    ::testing::internal::GetCapturedStdout();

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



    ASSERT_TRUE(std::string(lmp->input->variable->retrieve("shift")) == std::string("2"));

}
@@ -294,8 +292,7 @@ TEST_F(KimCommandsTest, kim_property) 
                     "3 >= 3.6 support.*",

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

    } else {

        TEST_FAILURE(".*ERROR: Invalid kim_property command.*",

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

        TEST_FAILURE(".*ERROR: Invalid kim_property command.*", lmp->input->one("kim_property"););

        TEST_FAILURE(".*ERROR: Invalid kim_property command.*",

                     lmp->input->one("kim_property create"););

        TEST_FAILURE(".*ERROR: Incorrect arguments in kim_property command.\n"

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