Unverified Commit ba793f2e authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

add region tests and a few more death tests for lattice commands

parent 6eb6ab30

unittest/commands/test_lattice_region.cpp

+116 −2
Original line number Original line Diff line number Diff line
@@ -153,6 +153,8 @@ TEST_F(LatticeRegionTest, lattice_sc) 
                 lmp->input->one("lattice sc 1.0 origin 1.0 1.0 1.0"););

                 lmp->input->one("lattice sc 1.0 origin 1.0 1.0 1.0"););

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

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

                 lmp->input->one("lattice sc 1.0 origin 1.0"););

                 lmp->input->one("lattice sc 1.0 origin 1.0"););

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

                 lmp->input->one("lattice sc 1.0 origin 0.0 0.0 0.0 xxx"););

    TEST_FAILURE(".*ERROR: Expected floating point.*",

    TEST_FAILURE(".*ERROR: Expected floating point.*",

                 lmp->input->one("lattice sc 1.0 origin xxx 1.0 1.0"););

                 lmp->input->one("lattice sc 1.0 origin xxx 1.0 1.0"););

    TEST_FAILURE(".*ERROR: Lattice orient vectors are not orthogonal.*",

    TEST_FAILURE(".*ERROR: Lattice orient vectors are not orthogonal.*",
@@ -354,6 +356,10 @@ TEST_F(LatticeRegionTest, lattice_sq) 
    ASSERT_EQ(lattice->basis[0][1], 0.0);

    ASSERT_EQ(lattice->basis[0][1], 0.0);

    ASSERT_EQ(lattice->basis[0][2], 0.0);

    ASSERT_EQ(lattice->basis[0][2], 0.0);





    TEST_FAILURE(

        ".*ERROR: Lattice settings are not compatible with 2d simulation.*",

        lmp->input->one("lattice sq 1.0 orient x 1 1 2 orient y -1 1 0 orient z -1 -1 1"););



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

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

    lmp->input->one("dimension 3");

    lmp->input->one("dimension 3");

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

    if (!verbose) ::testing::internal::GetCapturedStdout();
@@ -491,8 +497,7 @@ TEST_F(LatticeRegionTest, lattice_custom) 
    if (!verbose) ::testing::internal::CaptureStdout();

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

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

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

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

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

    TEST_FAILURE(".*ERROR: No basis atoms in lattice.*",

    TEST_FAILURE(".*ERROR: No basis atoms in lattice.*", lmp->input->one("lattice custom 1.0"););

                 lmp->input->one("lattice custom 1.0"););

    TEST_FAILURE(".*ERROR: Lattice settings are not compatible with 2d simulation.*",

    TEST_FAILURE(".*ERROR: Lattice settings are not compatible with 2d simulation.*",

                 lmp->input->one("lattice custom 1.0 origin 0.5 0.5 0.5 basis 0.0 0.0 0.0"););

                 lmp->input->one("lattice custom 1.0 origin 0.5 0.5 0.5 basis 0.0 0.0 0.0"););

    TEST_FAILURE(".*ERROR: Lattice settings are not compatible with 2d simulation.*",

    TEST_FAILURE(".*ERROR: Lattice settings are not compatible with 2d simulation.*",
@@ -528,6 +533,7 @@ TEST_F(LatticeRegionTest, region_block_lattice) 
    lmp->input->one("create_atoms 1 box");

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

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

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





    ASSERT_EQ(lmp->domain->triclinic, 0);

    auto x = lmp->atom->x;

    auto x = lmp->atom->x;

    ASSERT_EQ(lmp->atom->natoms, 8);

    ASSERT_EQ(lmp->atom->natoms, 8);

    ASSERT_DOUBLE_EQ(x[0][0], 0.0);

    ASSERT_DOUBLE_EQ(x[0][0], 0.0);
@@ -552,6 +558,7 @@ TEST_F(LatticeRegionTest, region_block_box) 
    lmp->input->one("create_box 1 box");

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

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

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

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

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

    ASSERT_EQ(lmp->domain->triclinic, 0);





    auto x = lmp->atom->x;

    auto x = lmp->atom->x;

    ASSERT_EQ(lmp->atom->natoms, 1);

    ASSERT_EQ(lmp->atom->natoms, 1);
@@ -560,6 +567,113 @@ TEST_F(LatticeRegionTest, region_block_box) 
    ASSERT_DOUBLE_EQ(x[0][2], 1.125);

    ASSERT_DOUBLE_EQ(x[0][2], 1.125);

}

}





TEST_F(LatticeRegionTest, region_cone)

{

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

    lmp->input->one("lattice fcc 2.5 origin 0.5 0.5 0.5");

    lmp->input->one("region box cone x 1.0 1.0 0.5 2.1 0.0 2.0");

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

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

    lmp->input->one("write_dump all atom init.lammpstrj");

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

    ASSERT_EQ(lmp->domain->triclinic, 0);



    auto x = lmp->atom->x;

    ASSERT_EQ(lmp->atom->natoms, 42);

}



TEST_F(LatticeRegionTest, region_cylinder)

{

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

    lmp->input->one("lattice fcc 2.5 origin 0.5 0.5 0.5");

    lmp->input->one("region box cylinder z 1.0 1.0 2.1 0.0 2.0 ");

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

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

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

    ASSERT_EQ(lmp->domain->triclinic, 0);



    auto x = lmp->atom->x;

    ASSERT_EQ(lmp->atom->natoms, 114);

}



TEST_F(LatticeRegionTest, region_prism)

{

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

    lmp->input->one("lattice bcc 2.5 origin 0.75 0.75 0.75");

    lmp->input->one("region box prism 0 2 0 2 0 2 0.5 0.0 0.0");

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

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

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

    ASSERT_EQ(lmp->domain->triclinic, 1);



    auto x = lmp->atom->x;

    ASSERT_EQ(lmp->atom->natoms, 16);

}



TEST_F(LatticeRegionTest, region_sphere)

{

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

    lmp->input->one("lattice fcc 2.5 origin 0.5 0.5 0.5");

    lmp->input->one("region box sphere 1.0 1.0 1.0 1.1");

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

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

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

    ASSERT_EQ(lmp->domain->triclinic, 0);



    auto x = lmp->atom->x;

    ASSERT_EQ(lmp->atom->natoms, 14);

}



TEST_F(LatticeRegionTest, region_union)

{

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

    lmp->input->one("lattice fcc 2.5 origin 0.5 0.5 0.5");

    lmp->input->one("region part1 sphere 2.0 1.0 1.0 1.1");

    lmp->input->one("region part2 block 0.0 2.0 0.0 2.0 0.0 2.0");

    lmp->input->one("region box union 2 part1 part2");

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

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

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

    ASSERT_EQ(lmp->domain->triclinic, 0);



    auto x = lmp->atom->x;

    ASSERT_EQ(lmp->atom->natoms, 67);

}



TEST_F(LatticeRegionTest, region_intersect)

{

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

    lmp->input->one("lattice fcc 2.5 origin 0.5 0.5 0.5");

    lmp->input->one("region part1 sphere 2.0 1.0 1.0 1.8");

    lmp->input->one("region part2 block 0.0 2.0 0.0 2.0 0.0 2.0");

    lmp->input->one("region box intersect 2 part1 part2");

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

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

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

    ASSERT_EQ(lmp->domain->triclinic, 0);



    auto x = lmp->atom->x;

    ASSERT_EQ(lmp->atom->natoms, 21);

}



TEST_F(LatticeRegionTest, region_plane)

{

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

    lmp->input->one("lattice fcc 2.5 origin 0.5 0.5 0.5");

    lmp->input->one("region box block 0.0 2.0 0.0 2.0 0.0 2.0");

    lmp->input->one("region part1 plane 0.5 1.0 0.0  0.75 0.0 0.0");

    lmp->input->one("region part2 plane 1.5 1.0 0.0  0.75 0.0 0.0 side out");

    lmp->input->one("region atoms intersect 2 part1 part2");

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

    lmp->input->one("create_atoms 1 region atoms");

    lmp->input->one("write_dump all atom init.lammpstrj");

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

    ASSERT_EQ(lmp->domain->triclinic, 0);



    auto x = lmp->atom->x;

    ASSERT_EQ(lmp->atom->natoms, 16);

}



} // namespace LAMMPS_NS

} // namespace LAMMPS_NS





int main(int argc, char **argv)

int main(int argc, char **argv)

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