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add unit test for new library function and settings

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This commit is contained in:
Axel Kohlmeyer
2024-05-24 23:03:53 -04:00
parent e53cc86622
commit 3701d330c4
1 changed files with 66 additions and 1 deletions
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67
unittest/c-library/test_library_properties.cpp
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@ -1,7 +1,9 @@
// unit tests for checking and changing simulation properties through the library interface
#include "lammps.h"
#include "library.h"
#include "atom.h"
#include "lammps.h"
#include "lmptype.h"
#include "platform.h"
#include <string>
@ -14,6 +16,7 @@
#define STRINGIFY(val) XSTR(val)
#define XSTR(val) #val
using ::LAMMPS_NS::Atom;
using ::LAMMPS_NS::bigint;
using ::LAMMPS_NS::tagint;
using ::LAMMPS_NS::platform::path_join;
@ -400,6 +403,68 @@ TEST_F(LibraryProperties, global)
EXPECT_DOUBLE_EQ(special_coul[1], 1.0);
EXPECT_DOUBLE_EQ(special_coul[2], 1.0);
EXPECT_DOUBLE_EQ(special_coul[3], 1.0);
EXPECT_EQ(lammps_extract_global_datatype(lmp, "map_style"), LAMMPS_INT);
#if defined(LAMMPS_BIGBIG)
EXPECT_EQ(lammps_extract_global_datatype(lmp, "map_tag_max"), LAMMPS_BIGINT);
#else
EXPECT_EQ(lammps_extract_global_datatype(lmp, "map_tag_max"), LAMMPS_INT);
#endif
EXPECT_EQ(lammps_extract_global_datatype(lmp, "sametag"), LAMMPS_INT);
EXPECT_EQ(lammps_extract_global_datatype(lmp, "sortfreq"), LAMMPS_INT);
EXPECT_EQ(lammps_extract_global_datatype(lmp, "nextsort"), LAMMPS_BIGINT);
int *sametag = (int *)lammps_extract_global(lmp, "sametag");
int map_style = *(int *)lammps_extract_global(lmp, "map_style");
EXPECT_EQ(map_style, Atom::MAP_ARRAY);
EXPECT_NE(sametag, nullptr);
tagint *tags = (tagint *)lammps_extract_atom(lmp, "id");
tagint sometags[] = {1, 5, 10, 15, 20};
for (int i = 0; i < 5; ++i) {
int idx = lammps_map_atom(lmp, (const void *)&sometags[i]);
EXPECT_EQ(sometags[i], tags[idx]);
int nextidx = sametag[idx];
if (nextidx >= 0) {
EXPECT_EQ(sometags[i], tags[nextidx]);
}
}
if (!verbose) ::testing::internal::CaptureStdout();
lammps_command(lmp, "clear");
if (!verbose) ::testing::internal::GetCapturedStdout();
map_style = *(int *)lammps_extract_global(lmp, "map_style");
EXPECT_EQ(map_style, Atom::MAP_NONE);
sametag = (int *)lammps_extract_global(lmp, "sametag");
EXPECT_EQ(sametag, nullptr);
if (!verbose) ::testing::internal::CaptureStdout();
lammps_command(lmp, "atom_modify map yes");
lammps_command(lmp, "region box block 0 1 0 1 0 1");
lammps_command(lmp, "create_box 1 box");
lammps_command(lmp, "mass 1 1.0");
lammps_command(lmp, "run 0 post no");
if (!verbose) ::testing::internal::GetCapturedStdout();
map_style = *(int *)lammps_extract_global(lmp, "map_style");
EXPECT_EQ(map_style, Atom::MAP_YES);
if (!verbose) ::testing::internal::CaptureStdout();
lammps_command(lmp, "clear");
lammps_command(lmp, "atom_modify map hash");
lammps_command(lmp, "region box block 0 1 0 1 0 1");
lammps_command(lmp, "create_box 1 box");
lammps_command(lmp, "mass 1 1.0");
lammps_command(lmp, "run 0 post no");
if (!verbose) ::testing::internal::GetCapturedStdout();
map_style = *(int *)lammps_extract_global(lmp, "map_style");
EXPECT_EQ(map_style, Atom::MAP_HASH);
if (!verbose) ::testing::internal::CaptureStdout();
lammps_command(lmp, "clear");
lammps_command(lmp, "atom_modify map array");
lammps_command(lmp, "region box block 0 1 0 1 0 1");
lammps_command(lmp, "create_box 1 box");
lammps_command(lmp, "mass 1 1.0");
lammps_command(lmp, "run 0 post no");
if (!verbose) ::testing::internal::GetCapturedStdout();
map_style = *(int *)lammps_extract_global(lmp, "map_style");
EXPECT_EQ(map_style, Atom::MAP_ARRAY);
};
TEST_F(LibraryProperties, neighlist)