diff --git a/unittest/commands/test_kim_commands.cpp b/unittest/commands/test_kim_commands.cpp index b6802cf56d..c1d6391d95 100644 --- a/unittest/commands/test_kim_commands.cpp +++ b/unittest/commands/test_kim_commands.cpp @@ -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'.*", @@ -223,7 +221,7 @@ TEST_F(KimCommandsTest, kim_param) "parameter\\(s\\) instead of '1.' in index_range.*", lmp->input->one("kim_param get shift 1. shift");); TEST_FAILURE(".*ERROR: Illegal index_range '1-2' for 'shift' " - "parameter with the extent of '1'.*", + "parameter with the extent of '1'.*", lmp->input->one("kim_param get shift 1:2 shift");); TEST_FAILURE(".*ERROR: Illegal index_range.\nExpected integer " "parameter\\(s\\) instead of '1-2' in index_range.*", @@ -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"