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Added unit tests for x and v

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This commit is contained in:
Karl Hammond
2022-09-22 22:23:31 -05:00
parent ae4404201f
commit 5f5397f61b
2 changed files with 41 additions and 7 deletions
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23
unittest/fortran/wrap_extract_atom.cpp
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@ -3,7 +3,6 @@
#include "lammps.h"
#include "library.h"
#include "lmptype.h"
#include <mpi.h>
#include <string>
#include <cstdlib>
@ -22,6 +21,7 @@ int64_t f_lammps_extract_atom_tag_int64(int64_t);
int f_lammps_extract_atom_type(int);
int f_lammps_extract_atom_mask(int);
void f_lammps_extract_atom_x(int,double*);
void f_lammps_extract_atom_v(int,double*);
}
class LAMMPS_extract_atom : public ::testing::Test {
@ -97,3 +97,24 @@ TEST_F(LAMMPS_extract_atom, x)
EXPECT_DOUBLE_EQ(x2[1], 0.1);
EXPECT_DOUBLE_EQ(x2[2], 0.1);
}
TEST_F(LAMMPS_extract_atom, v)
{
f_lammps_setup_extract_atom();
double v1[3];
double v2[3];
f_lammps_extract_atom_v(1, v1);
EXPECT_DOUBLE_EQ(v1[0], 0.0);
EXPECT_DOUBLE_EQ(v1[1], 0.0);
EXPECT_DOUBLE_EQ(v1[2], 0.0);
f_lammps_extract_atom_v(2, v2);
EXPECT_DOUBLE_EQ(v2[0], 0.0);
EXPECT_DOUBLE_EQ(v2[1], 0.0);
EXPECT_DOUBLE_EQ(v2[2], 0.0);
lammps_command(lmp, "group one id 1");
lammps_command(lmp, "velocity one set 1 2 3");
f_lammps_extract_atom_v(1, v1);
EXPECT_DOUBLE_EQ(v1[0], 1.0);
EXPECT_DOUBLE_EQ(v1[1], 2.0);
EXPECT_DOUBLE_EQ(v1[2], 3.0);
}