tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

implemented create_atoms and encode_image_flags and unit tests for them; added IMGMASK and friends to extract_setting and unit tests for them; wrote documentation for them

Browse Source
This commit is contained in:
Karl Hammond
2022-10-19 18:40:12 -05:00
parent 9a732ba513
commit b51c50294e
7 changed files with 578 additions and 53 deletions
Download Patch File Download Diff File Expand all files Collapse all files

31
unittest/fortran/wrap_properties.cpp
View File

@ -3,6 +3,7 @@
#include "lammps.h"
#include "library.h"
#include <cstdint>
#include <string>
#include "gmock/gmock.h"
@ -18,6 +19,8 @@ int f_lammps_get_mpi_comm();
int f_lammps_extract_setting(const char *);
int f_lammps_has_error();
int f_lammps_get_last_error_message(char *, int);
int f_lammps_get_image_flags_int(int, int, int);
int64_t f_lammps_get_image_flags_bigint(int, int, int);
}
namespace LAMMPS_NS {
@ -85,9 +88,17 @@ TEST_F(LAMMPS_properties, extract_setting)
#if defined(LAMMPS_BIGBIG)
EXPECT_EQ(f_lammps_extract_setting("tagint"), 8);
EXPECT_EQ(f_lammps_extract_setting("imageint"), 8);
EXPECT_EQ(f_lammps_extract_setting("IMGMASK"), 2097151);
EXPECT_EQ(f_lammps_extract_setting("IMGMAX"), 1048576);
EXPECT_EQ(f_lammps_extract_setting("IMGBITS"), 21);
EXPECT_EQ(f_lammps_extract_setting("IMG2BITS"), 42);
#else
EXPECT_EQ(f_lammps_extract_setting("tagint"), 4);
EXPECT_EQ(f_lammps_extract_setting("imageint"), 4);
EXPECT_EQ(f_lammps_extract_setting("IMGMASK"), 1023);
EXPECT_EQ(f_lammps_extract_setting("IMGMAX"), 512);
EXPECT_EQ(f_lammps_extract_setting("IMGBITS"), 10);
EXPECT_EQ(f_lammps_extract_setting("IMG2BITS"), 20);
#endif
EXPECT_EQ(f_lammps_extract_setting("box_exist"), 0);
@ -141,4 +152,24 @@ TEST_F(LAMMPS_properties, has_error)
EXPECT_EQ(err, 0);
EXPECT_THAT(errmsg, ContainsRegex(" "));
};
TEST_F(LAMMPS_properties, get_image_flags)
{
#ifdef LAMMPS_BIGBIG
int64_t image = f_lammps_get_image_flags_bigint(0,0,0);
int64_t Cimage = lammps_encode_image_flags(0,0,0);
EXPECT_EQ(image, Cimage);
image = f_lammps_get_image_flags_bigint(1,-1,1);
Cimage = lammps_encode_image_flags(1,-1,1);
EXPECT_EQ(image, Cimage);
#else
int image = f_lammps_get_image_flags_int(0,0,0);
int Cimage = lammps_encode_image_flags(0,0,0);
EXPECT_EQ(image, Cimage);
image = f_lammps_get_image_flags_int(1,-1,1);
Cimage = lammps_encode_image_flags(1,-1,1);
EXPECT_EQ(image, Cimage);
#endif
}
} // namespace LAMMPS_NS