ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

apply clang-format

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-10-03 23:19:59 -04:00
parent 3374435281
commit 647c5e3572
8 changed files with 563 additions and 568 deletions
Download Patch File Download Diff File Expand all files Collapse all files

100
unittest/fortran/wrap_extract_atom.cpp
View File

@ -3,10 +3,10 @@
#include "lammps.h"
#include "library.h"
#include <cstdint>
#include <cstdlib>
#include <mpi.h>
#include <string>
#include <cstdlib>
#include <cstdint>
#include "gtest/gtest.h"
@ -20,8 +20,8 @@ int f_lammps_extract_atom_tag_int(int);
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*);
void f_lammps_extract_atom_x(int, double *);
void f_lammps_extract_atom_v(int, double *);
}
class LAMMPS_extract_atom : public ::testing::Test {
@ -49,72 +49,72 @@ protected:
TEST_F(LAMMPS_extract_atom, mass)
{
f_lammps_setup_extract_atom();
EXPECT_DOUBLE_EQ(f_lammps_extract_atom_mass(), 2.0);
f_lammps_setup_extract_atom();
EXPECT_DOUBLE_EQ(f_lammps_extract_atom_mass(), 2.0);
};
TEST_F(LAMMPS_extract_atom, tag)
{
f_lammps_setup_extract_atom();
#ifdef LAMMPS_BIGBIG
EXPECT_EQ(f_lammps_extract_atom_tag_int64(1l), 1l);
EXPECT_EQ(f_lammps_extract_atom_tag_int64(2l), 2l);
f_lammps_setup_extract_atom();
#if defined(LAMMPS_BIGBIG)
EXPECT_EQ(f_lammps_extract_atom_tag_int64(1l), 1l);
EXPECT_EQ(f_lammps_extract_atom_tag_int64(2l), 2l);
#else
EXPECT_EQ(f_lammps_extract_atom_tag_int(1), 1);
EXPECT_EQ(f_lammps_extract_atom_tag_int(2), 2);
EXPECT_EQ(f_lammps_extract_atom_tag_int(1), 1);
EXPECT_EQ(f_lammps_extract_atom_tag_int(2), 2);
#endif
};
TEST_F(LAMMPS_extract_atom, type)
{
f_lammps_setup_extract_atom();
EXPECT_EQ(f_lammps_extract_atom_type(1), 1);
EXPECT_EQ(f_lammps_extract_atom_type(2), 1);
f_lammps_setup_extract_atom();
EXPECT_EQ(f_lammps_extract_atom_type(1), 1);
EXPECT_EQ(f_lammps_extract_atom_type(2), 1);
};
TEST_F(LAMMPS_extract_atom, mask)
{
f_lammps_setup_extract_atom();
EXPECT_EQ(f_lammps_extract_atom_mask(1), 1);
EXPECT_EQ(f_lammps_extract_atom_mask(2), 1);
lammps_command(lmp, "group 1 id 1");
lammps_command(lmp, "group 2 id 2");
EXPECT_EQ(f_lammps_extract_atom_mask(1), 3);
EXPECT_EQ(f_lammps_extract_atom_mask(2), 5);
f_lammps_setup_extract_atom();
EXPECT_EQ(f_lammps_extract_atom_mask(1), 1);
EXPECT_EQ(f_lammps_extract_atom_mask(2), 1);
lammps_command(lmp, "group 1 id 1");
lammps_command(lmp, "group 2 id 2");
EXPECT_EQ(f_lammps_extract_atom_mask(1), 3);
EXPECT_EQ(f_lammps_extract_atom_mask(2), 5);
};
TEST_F(LAMMPS_extract_atom, x)
{
f_lammps_setup_extract_atom();
double x1[3];
double x2[3];
f_lammps_extract_atom_x(1, x1);
EXPECT_DOUBLE_EQ(x1[0], 1.0);
EXPECT_DOUBLE_EQ(x1[1], 1.0);
EXPECT_DOUBLE_EQ(x1[2], 1.5);
f_lammps_extract_atom_x(2, x2);
EXPECT_DOUBLE_EQ(x2[0], 0.2);
EXPECT_DOUBLE_EQ(x2[1], 0.1);
EXPECT_DOUBLE_EQ(x2[2], 0.1);
f_lammps_setup_extract_atom();
double x1[3];
double x2[3];
f_lammps_extract_atom_x(1, x1);
EXPECT_DOUBLE_EQ(x1[0], 1.0);
EXPECT_DOUBLE_EQ(x1[1], 1.0);
EXPECT_DOUBLE_EQ(x1[2], 1.5);
f_lammps_extract_atom_x(2, x2);
EXPECT_DOUBLE_EQ(x2[0], 0.2);
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);
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);
}