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modernize and reformat with clang-tidy and clang-format

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This commit is contained in:
Axel Kohlmeyer
2024-07-04 11:17:54 -04:00
parent cefe76919c
commit da2bd44b73
55 changed files with 980 additions and 971 deletions
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4
unittest/formats/compressed_dump_test.h
View File

@ -101,8 +101,8 @@ public:
{
BEGIN_HIDE_OUTPUT();
std::string converted_file = compressed_file.substr(0, compressed_file.find_last_of('.'));
std::string cmdline =
fmt::format("\"{}\" -d -c {} > {}", COMPRESS_EXECUTABLE, compressed_file, converted_file);
std::string cmdline = fmt::format("\"{}\" -d -c {} > {}", COMPRESS_EXECUTABLE,
compressed_file, converted_file);
system(cmdline.c_str());
END_HIDE_OUTPUT();
return converted_file;

206
unittest/formats/test_atom_styles.cpp
View File

@ -553,8 +553,8 @@ TEST_F(AtomStyleTest, atomic)
ASSERT_EQ(lmp->atom->molecular, Atom::ATOMIC);
ASSERT_EQ(lmp->atom->ntypes, 2);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.1, EPSILON);
@ -642,7 +642,7 @@ TEST_F(AtomStyleTest, atomic)
command("replicate 2 2 2");
END_HIDE_OUTPUT();
ASSERT_EQ(lmp->atom->map_tag_max, 16);
x = lmp->atom->x;
x = lmp->atom->x;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.1, EPSILON);
@ -870,9 +870,9 @@ TEST_F(AtomStyleTest, charge)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 4);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto q = lmp->atom->q;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *q = lmp->atom->q;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.1, EPSILON);
@ -1056,10 +1056,10 @@ TEST_F(AtomStyleTest, sphere)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 4);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto rmass = lmp->atom->rmass;
auto omega = lmp->atom->omega;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *rmass = lmp->atom->rmass;
auto *omega = lmp->atom->omega;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.1, EPSILON);
@ -1243,13 +1243,13 @@ TEST_F(AtomStyleTest, ellipsoid)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 6);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto type = lmp->atom->type;
auto ellipsoid = lmp->atom->ellipsoid;
auto rmass = lmp->atom->rmass;
auto avec = dynamic_cast<AtomVecEllipsoid *>(lmp->atom->avec);
auto bonus = avec->bonus;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *type = lmp->atom->type;
auto *ellipsoid = lmp->atom->ellipsoid;
auto *rmass = lmp->atom->rmass;
auto *avec = dynamic_cast<AtomVecEllipsoid *>(lmp->atom->avec);
auto *bonus = avec->bonus;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.1, EPSILON);
@ -1571,13 +1571,13 @@ TEST_F(AtomStyleTest, line)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 6);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto type = lmp->atom->type;
auto line = lmp->atom->line;
auto rmass = lmp->atom->rmass;
auto avec = dynamic_cast<AtomVecLine *>(lmp->atom->avec);
auto bonus = avec->bonus;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *type = lmp->atom->type;
auto *line = lmp->atom->line;
auto *rmass = lmp->atom->rmass;
auto *avec = dynamic_cast<AtomVecLine *>(lmp->atom->avec);
auto *bonus = avec->bonus;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.0, EPSILON);
@ -1853,14 +1853,14 @@ TEST_F(AtomStyleTest, tri)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 6);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto type = lmp->atom->type;
auto tri = lmp->atom->tri;
auto rmass = lmp->atom->rmass;
auto radius = lmp->atom->radius;
auto avec = dynamic_cast<AtomVecTri *>(lmp->atom->avec);
auto bonus = avec->bonus;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *type = lmp->atom->type;
auto *tri = lmp->atom->tri;
auto *rmass = lmp->atom->rmass;
auto *radius = lmp->atom->radius;
auto *avec = dynamic_cast<AtomVecTri *>(lmp->atom->avec);
auto *bonus = avec->bonus;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.1, EPSILON);
@ -2180,7 +2180,7 @@ TEST_F(AtomStyleTest, body_nparticle)
ASSERT_ATOM_STATE_EQ(lmp->atom, expected);
auto avec = dynamic_cast<AtomVecBody *>(lmp->atom->avec);
auto *avec = dynamic_cast<AtomVecBody *>(lmp->atom->avec);
ASSERT_NE(lmp->atom->avec, nullptr);
ASSERT_NE(avec->bptr, nullptr);
ASSERT_THAT(std::string(avec->bptr->style), Eq("nparticle"));
@ -2265,14 +2265,14 @@ TEST_F(AtomStyleTest, body_nparticle)
ASSERT_NE(lmp->atom->radius, nullptr);
ASSERT_EQ(lmp->atom->mass_setflag, nullptr);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto type = lmp->atom->type;
auto body = lmp->atom->body;
auto rmass = lmp->atom->rmass;
auto radius = lmp->atom->radius;
auto angmom = lmp->atom->angmom;
auto bonus = avec->bonus;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *type = lmp->atom->type;
auto *body = lmp->atom->body;
auto *rmass = lmp->atom->rmass;
auto *radius = lmp->atom->radius;
auto *angmom = lmp->atom->angmom;
auto *bonus = avec->bonus;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.1, EPSILON);
@ -2832,9 +2832,9 @@ TEST_F(AtomStyleTest, template)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 12);
auto molecule = lmp->atom->molecule;
auto molindex = lmp->atom->molindex;
auto molatom = lmp->atom->molatom;
auto *molecule = lmp->atom->molecule;
auto *molindex = lmp->atom->molindex;
auto *molatom = lmp->atom->molatom;
ASSERT_EQ(molecule[GETIDX(1)], 1);
ASSERT_EQ(molecule[GETIDX(2)], 1);
@ -2933,9 +2933,9 @@ TEST_F(AtomStyleTest, template)
ASSERT_EQ(molatom[GETIDX(11)], -1);
ASSERT_EQ(molatom[GETIDX(12)], -1);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto type = lmp->atom->type;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *type = lmp->atom->type;
EXPECT_NEAR(x[GETIDX(10)][0], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(10)][1], -2.0, EPSILON);
@ -3147,7 +3147,7 @@ TEST_F(AtomStyleTest, template_charge)
ASSERT_ATOM_STATE_EQ(lmp->atom, expected);
auto hybrid = dynamic_cast<AtomVecHybrid *>(lmp->atom->avec);
auto *hybrid = dynamic_cast<AtomVecHybrid *>(lmp->atom->avec);
ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("hybrid"));
ASSERT_EQ(hybrid->nstyles, 2);
ASSERT_THAT(std::string(hybrid->keywords[0]), Eq("template"));
@ -3247,9 +3247,9 @@ TEST_F(AtomStyleTest, template_charge)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 12);
auto molecule = lmp->atom->molecule;
auto molindex = lmp->atom->molindex;
auto molatom = lmp->atom->molatom;
auto *molecule = lmp->atom->molecule;
auto *molindex = lmp->atom->molindex;
auto *molatom = lmp->atom->molatom;
ASSERT_EQ(molecule[GETIDX(1)], 1);
ASSERT_EQ(molecule[GETIDX(2)], 1);
@ -3348,10 +3348,10 @@ TEST_F(AtomStyleTest, template_charge)
ASSERT_EQ(molatom[GETIDX(11)], -1);
ASSERT_EQ(molatom[GETIDX(12)], -1);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto type = lmp->atom->type;
auto q = lmp->atom->q;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *type = lmp->atom->type;
auto *q = lmp->atom->q;
EXPECT_NEAR(x[GETIDX(10)][0], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(10)][1], -2.0, EPSILON);
@ -3655,9 +3655,9 @@ TEST_F(AtomStyleTest, bond)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 6);
auto num_bond = lmp->atom->num_bond;
auto bond_type = lmp->atom->bond_type;
auto bond_atom = lmp->atom->bond_atom;
auto *num_bond = lmp->atom->num_bond;
auto *bond_type = lmp->atom->bond_type;
auto *bond_atom = lmp->atom->bond_atom;
ASSERT_EQ(num_bond[GETIDX(1)], 2);
ASSERT_EQ(num_bond[GETIDX(2)], 0);
@ -3714,12 +3714,12 @@ TEST_F(AtomStyleTest, bond)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 6);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto type = lmp->atom->type;
num_bond = lmp->atom->num_bond;
bond_type = lmp->atom->bond_type;
bond_atom = lmp->atom->bond_atom;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *type = lmp->atom->type;
num_bond = lmp->atom->num_bond;
bond_type = lmp->atom->bond_type;
bond_atom = lmp->atom->bond_atom;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
@ -4013,14 +4013,14 @@ TEST_F(AtomStyleTest, angle)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 6);
auto num_bond = lmp->atom->num_bond;
auto bond_type = lmp->atom->bond_type;
auto bond_atom = lmp->atom->bond_atom;
auto num_angle = lmp->atom->num_angle;
auto angle_type = lmp->atom->angle_type;
auto angle_atom1 = lmp->atom->angle_atom1;
auto angle_atom2 = lmp->atom->angle_atom2;
auto angle_atom3 = lmp->atom->angle_atom3;
auto *num_bond = lmp->atom->num_bond;
auto *bond_type = lmp->atom->bond_type;
auto *bond_atom = lmp->atom->bond_atom;
auto *num_angle = lmp->atom->num_angle;
auto *angle_type = lmp->atom->angle_type;
auto *angle_atom1 = lmp->atom->angle_atom1;
auto *angle_atom2 = lmp->atom->angle_atom2;
auto *angle_atom3 = lmp->atom->angle_atom3;
ASSERT_EQ(num_bond[GETIDX(1)], 2);
ASSERT_EQ(num_bond[GETIDX(2)], 0);
@ -4107,9 +4107,9 @@ TEST_F(AtomStyleTest, angle)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 6);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto type = lmp->atom->type;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *type = lmp->atom->type;
num_bond = lmp->atom->num_bond;
bond_atom = lmp->atom->bond_atom;
num_angle = lmp->atom->num_angle;
@ -4288,7 +4288,7 @@ TEST_F(AtomStyleTest, full_ellipsoid)
ASSERT_ATOM_STATE_EQ(lmp->atom, expected);
auto hybrid = dynamic_cast<AtomVecHybrid *>(lmp->atom->avec);
auto *hybrid = dynamic_cast<AtomVecHybrid *>(lmp->atom->avec);
ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("hybrid"));
ASSERT_EQ(hybrid->nstyles, 2);
ASSERT_THAT(std::string(hybrid->keywords[0]), Eq("full"));
@ -4398,15 +4398,15 @@ TEST_F(AtomStyleTest, full_ellipsoid)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 6);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto q = lmp->atom->q;
auto type = lmp->atom->type;
auto ellipsoid = lmp->atom->ellipsoid;
auto rmass = lmp->atom->rmass;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *q = lmp->atom->q;
auto *type = lmp->atom->type;
auto *ellipsoid = lmp->atom->ellipsoid;
auto *rmass = lmp->atom->rmass;
auto avec = dynamic_cast<AtomVecEllipsoid *>(hybrid->styles[1]);
auto bonus = avec->bonus;
auto *avec = dynamic_cast<AtomVecEllipsoid *>(hybrid->styles[1]);
auto *bonus = avec->bonus;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.1, EPSILON);
@ -4768,9 +4768,9 @@ TEST_F(AtomStyleTest, property_atom)
ASSERT_EQ(lmp->atom->map_user, Atom::MAP_ARRAY);
ASSERT_EQ(lmp->atom->map_tag_max, 4);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto q = lmp->atom->q;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *q = lmp->atom->q;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.1, EPSILON);
@ -4805,10 +4805,10 @@ TEST_F(AtomStyleTest, property_atom)
ASSERT_EQ(lmp->atom->mass_setflag[1], 1);
ASSERT_EQ(lmp->atom->mass_setflag[2], 1);
auto rmass = lmp->atom->rmass;
auto one = lmp->atom->ivector[0];
auto two = lmp->atom->dvector[0];
auto three = lmp->atom->dvector[1];
auto *rmass = lmp->atom->rmass;
auto *one = lmp->atom->ivector[0];
auto *two = lmp->atom->dvector[0];
auto *three = lmp->atom->dvector[1];
EXPECT_NEAR(rmass[GETIDX(1)], 4.0, EPSILON);
EXPECT_NEAR(rmass[GETIDX(2)], 4.0, EPSILON);
@ -4939,7 +4939,7 @@ TEST_F(AtomStyleTest, oxdna)
ASSERT_ATOM_STATE_EQ(lmp->atom, expected);
auto hybrid = dynamic_cast<AtomVecHybrid *>(lmp->atom->avec);
auto *hybrid = dynamic_cast<AtomVecHybrid *>(lmp->atom->avec);
ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("hybrid"));
ASSERT_EQ(hybrid->nstyles, 3);
ASSERT_THAT(std::string(hybrid->keywords[0]), Eq("bond"));
@ -5152,14 +5152,14 @@ TEST_F(AtomStyleTest, oxdna)
ASSERT_NE(lmp->atom->mass_setflag, nullptr);
ASSERT_NE(lmp->atom->id5p, nullptr);
auto x = lmp->atom->x;
auto v = lmp->atom->v;
auto type = lmp->atom->type;
auto ellipsoid = lmp->atom->ellipsoid;
auto rmass = lmp->atom->rmass;
auto *x = lmp->atom->x;
auto *v = lmp->atom->v;
auto *type = lmp->atom->type;
auto *ellipsoid = lmp->atom->ellipsoid;
auto *rmass = lmp->atom->rmass;
auto avec = dynamic_cast<AtomVecEllipsoid *>(hybrid->styles[1]);
auto bonus = avec->bonus;
auto *avec = dynamic_cast<AtomVecEllipsoid *>(hybrid->styles[1]);
auto *bonus = avec->bonus;
EXPECT_NEAR(x[GETIDX(1)][0], -0.33741452300167507, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], -0.43708835412476305, EPSILON);
@ -5328,10 +5328,10 @@ TEST_F(AtomStyleTest, oxdna)
EXPECT_NEAR(bonus[9].quat[2], 0.9849325709665359, EPSILON);
EXPECT_NEAR(bonus[9].quat[3], -0.0516705065113425, EPSILON);
auto num_bond = lmp->atom->num_bond;
auto bond_type = lmp->atom->bond_type;
auto bond_atom = lmp->atom->bond_atom;
auto id5p = lmp->atom->id5p;
auto *num_bond = lmp->atom->num_bond;
auto *bond_type = lmp->atom->bond_type;
auto *bond_atom = lmp->atom->bond_atom;
auto *id5p = lmp->atom->id5p;
ASSERT_EQ(num_bond[GETIDX(1)], 1);
ASSERT_EQ(num_bond[GETIDX(2)], 1);

102
unittest/formats/test_dump_atom_compressed.cpp
View File

@ -93,15 +93,15 @@ TEST_F(DumpAtomCompressTest, compressed_multi_file_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_run1_*.melt";
auto base_name_0 = "multi_file_run1_0.melt";
auto base_name_1 = "multi_file_run1_1.melt";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
const auto *base_name = "multi_file_run1_*.melt";
const auto *base_name_0 = "multi_file_run1_0.melt";
const auto *base_name_1 = "multi_file_run1_1.melt";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
if (compression_style == "atom/zstd") {
generate_text_and_compressed_dump(text_file, compressed_file, "", "", "", "checksum no", 1);
@ -133,15 +133,15 @@ TEST_F(DumpAtomCompressTest, compressed_multi_file_with_pad_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_pad_run1_*.melt";
auto base_name_0 = "multi_file_pad_run1_000.melt";
auto base_name_1 = "multi_file_pad_run1_001.melt";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
const auto *base_name = "multi_file_pad_run1_*.melt";
const auto *base_name_0 = "multi_file_pad_run1_000.melt";
const auto *base_name_1 = "multi_file_pad_run1_001.melt";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
generate_text_and_compressed_dump(text_file, compressed_file, "", "pad 3", 1);
@ -174,18 +174,18 @@ TEST_F(DumpAtomCompressTest, compressed_multi_file_with_maxfiles_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_maxfiles_run1_*.melt";
auto base_name_0 = "multi_file_maxfiles_run1_0.melt";
auto base_name_1 = "multi_file_maxfiles_run1_1.melt";
auto base_name_2 = "multi_file_maxfiles_run1_2.melt";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto text_file_2 = text_dump_filename(base_name_2);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto compressed_file_2 = compressed_dump_filename(base_name_2);
const auto *base_name = "multi_file_maxfiles_run1_*.melt";
const auto *base_name_0 = "multi_file_maxfiles_run1_0.melt";
const auto *base_name_1 = "multi_file_maxfiles_run1_1.melt";
const auto *base_name_2 = "multi_file_maxfiles_run1_2.melt";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto text_file_2 = text_dump_filename(base_name_2);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto compressed_file_2 = compressed_dump_filename(base_name_2);
generate_text_and_compressed_dump(text_file, compressed_file, "", "maxfiles 2", 2);
@ -220,9 +220,9 @@ TEST_F(DumpAtomCompressTest, compressed_with_units_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "with_units_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *base_name = "with_units_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
generate_text_and_compressed_dump(text_file, compressed_file, "", "scale no units yes", 0);
@ -244,9 +244,9 @@ TEST_F(DumpAtomCompressTest, compressed_with_time_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "with_time_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *base_name = "with_time_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
generate_text_and_compressed_dump(text_file, compressed_file, "", "scale no time yes", 0);
@ -268,9 +268,9 @@ TEST_F(DumpAtomCompressTest, compressed_triclinic_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "tri_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *base_name = "tri_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
enable_triclinic();
generate_text_and_compressed_dump(text_file, compressed_file, "", "", 0);
@ -293,9 +293,9 @@ TEST_F(DumpAtomCompressTest, compressed_triclinic_with_units_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "tri_with_units_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *base_name = "tri_with_units_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
enable_triclinic();
generate_text_and_compressed_dump(text_file, compressed_file, "", "scale no units yes", 0);
@ -318,9 +318,9 @@ TEST_F(DumpAtomCompressTest, compressed_triclinic_with_time_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "tri_with_time_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *base_name = "tri_with_time_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
enable_triclinic();
generate_text_and_compressed_dump(text_file, compressed_file, "", "scale no time yes", 0);
@ -343,9 +343,9 @@ TEST_F(DumpAtomCompressTest, compressed_triclinic_with_image_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "tri_with_image_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *base_name = "tri_with_image_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
enable_triclinic();
generate_text_and_compressed_dump(text_file, compressed_file, "", "image yes", 0);
@ -396,9 +396,9 @@ TEST_F(DumpAtomCompressTest, compressed_modify_clevel_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "modify_clevel_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *base_name = "modify_clevel_run0.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
generate_text_and_compressed_dump(text_file, compressed_file, "", "", "", "compression_level 3",
0);

24
unittest/formats/test_dump_cfg.cpp
View File

@ -51,8 +51,8 @@ TEST_F(DumpCfgTest, invalid_options)
TEST_F(DumpCfgTest, require_multifile)
{
auto dump_file = "dump.melt.cfg_run.cfg";
auto fields =
const auto *dump_file = "dump.melt.cfg_run.cfg";
const auto *fields =
"mass type xs ys zs id proc procp1 x y z ix iy iz xu yu zu xsu ysu zsu vx vy vz fx fy fz";
BEGIN_HIDE_OUTPUT();
@ -64,8 +64,8 @@ TEST_F(DumpCfgTest, require_multifile)
TEST_F(DumpCfgTest, run0)
{
auto dump_file = "dump_cfg_run*.melt.cfg";
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *dump_file = "dump_cfg_run*.melt.cfg";
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_dump(dump_file, fields, "", 0);
@ -78,8 +78,8 @@ TEST_F(DumpCfgTest, run0)
TEST_F(DumpCfgTest, write_dump)
{
auto dump_file = "dump_cfg_run*.melt.cfg";
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *dump_file = "dump_cfg_run*.melt.cfg";
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
BEGIN_HIDE_OUTPUT();
command("run 0 post no");
@ -105,8 +105,8 @@ TEST_F(DumpCfgTest, write_dump)
TEST_F(DumpCfgTest, unwrap_run0)
{
auto dump_file = "dump_cfg_unwrap_run*.melt.cfg";
auto fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *dump_file = "dump_cfg_unwrap_run*.melt.cfg";
const auto *fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_dump(dump_file, fields, "", 0);
@ -119,8 +119,8 @@ TEST_F(DumpCfgTest, unwrap_run0)
TEST_F(DumpCfgTest, no_buffer_run0)
{
auto dump_file = "dump_cfg_no_buffer_run*.melt.cfg";
auto fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *dump_file = "dump_cfg_no_buffer_run*.melt.cfg";
const auto *fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_dump(dump_file, fields, "buffer no", 0);
@ -133,8 +133,8 @@ TEST_F(DumpCfgTest, no_buffer_run0)
TEST_F(DumpCfgTest, no_unwrap_no_buffer_run0)
{
auto dump_file = "dump_cfg_no_unwrap_no_buffer_run*.melt.cfg";
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *dump_file = "dump_cfg_no_unwrap_no_buffer_run*.melt.cfg";
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_dump(dump_file, fields, "buffer no", 0);

114
unittest/formats/test_dump_cfg_compressed.cpp
View File

@ -35,14 +35,14 @@ TEST_F(DumpCfgCompressTest, compressed_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "run*.melt.cfg";
const auto *base_name = "run*.melt.cfg";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto base_name_0 = "run0.melt.cfg";
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *base_name_0 = "run0.melt.cfg";
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
if (compression_style == "cfg/zstd") {
generate_text_and_compressed_dump(text_files, compressed_files, fields, fields, "",
@ -69,14 +69,14 @@ TEST_F(DumpCfgCompressTest, compressed_no_buffer_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "no_buffer_run*.melt.cfg";
const auto *base_name = "no_buffer_run*.melt.cfg";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto base_name_0 = "no_buffer_run0.melt.cfg";
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *base_name_0 = "no_buffer_run0.melt.cfg";
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
if (compression_style == "cfg/zstd") {
generate_text_and_compressed_dump(text_files, compressed_files, fields, fields, "buffer no",
@ -103,14 +103,14 @@ TEST_F(DumpCfgCompressTest, compressed_unwrap_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "unwrap_run*.melt.cfg";
const auto *base_name = "unwrap_run*.melt.cfg";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto base_name_0 = "unwrap_run0.melt.cfg";
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *base_name_0 = "unwrap_run0.melt.cfg";
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_text_and_compressed_dump(text_files, compressed_files, fields, "", 0);
@ -132,16 +132,16 @@ TEST_F(DumpCfgCompressTest, compressed_multi_file_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_run1_*.melt.cfg";
auto base_name_0 = "multi_file_run1_0.melt.cfg";
auto base_name_1 = "multi_file_run1_1.melt.cfg";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *base_name = "multi_file_run1_*.melt.cfg";
const auto *base_name_0 = "multi_file_run1_0.melt.cfg";
const auto *base_name_1 = "multi_file_run1_1.melt.cfg";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
if (compression_style == "cfg/zstd") {
generate_text_and_compressed_dump(text_file, compressed_file, fields, fields, "",
@ -174,16 +174,16 @@ TEST_F(DumpCfgCompressTest, compressed_multi_file_with_pad_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_pad_run1_*.melt.cfg";
auto base_name_0 = "multi_file_pad_run1_000.melt.cfg";
auto base_name_1 = "multi_file_pad_run1_001.melt.cfg";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *base_name = "multi_file_pad_run1_*.melt.cfg";
const auto *base_name_0 = "multi_file_pad_run1_000.melt.cfg";
const auto *base_name_1 = "multi_file_pad_run1_001.melt.cfg";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_text_and_compressed_dump(text_file, compressed_file, fields, "pad 3", 1);
@ -216,19 +216,19 @@ TEST_F(DumpCfgCompressTest, compressed_multi_file_with_maxfiles_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_maxfiles_run1_*.melt.cfg";
auto base_name_0 = "multi_file_maxfiles_run1_0.melt.cfg";
auto base_name_1 = "multi_file_maxfiles_run1_1.melt.cfg";
auto base_name_2 = "multi_file_maxfiles_run1_2.melt.cfg";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto text_file_2 = text_dump_filename(base_name_2);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto compressed_file_2 = compressed_dump_filename(base_name_2);
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *base_name = "multi_file_maxfiles_run1_*.melt.cfg";
const auto *base_name_0 = "multi_file_maxfiles_run1_0.melt.cfg";
const auto *base_name_1 = "multi_file_maxfiles_run1_1.melt.cfg";
const auto *base_name_2 = "multi_file_maxfiles_run1_2.melt.cfg";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto text_file_2 = text_dump_filename(base_name_2);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto compressed_file_2 = compressed_dump_filename(base_name_2);
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_text_and_compressed_dump(text_file, compressed_file, fields, "maxfiles 2", 2);
@ -263,7 +263,7 @@ TEST_F(DumpCfgCompressTest, compressed_modify_bad_param)
{
if (compression_style != "cfg/gz") GTEST_SKIP();
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
BEGIN_HIDE_OUTPUT();
command(fmt::format("dump id1 all {} 1 {} {}", compression_style,
compressed_dump_filename("modify_bad_param_run0_*.melt.cfg"), fields));
@ -278,7 +278,7 @@ TEST_F(DumpCfgCompressTest, compressed_modify_multi_bad_param)
{
if (compression_style != "cfg/gz") GTEST_SKIP();
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
BEGIN_HIDE_OUTPUT();
command(fmt::format("dump id1 all {} 1 {} {}", compression_style,
compressed_dump_filename("modify_multi_bad_param_run0_*.melt.cfg"),
@ -294,13 +294,13 @@ TEST_F(DumpCfgCompressTest, compressed_modify_clevel_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "modify_clevel_run*.melt.cfg";
auto base_name_0 = "modify_clevel_run0.melt.cfg";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
const auto *base_name = "modify_clevel_run*.melt.cfg";
const auto *base_name_0 = "modify_clevel_run0.melt.cfg";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_text_and_compressed_dump(text_file, compressed_file, fields, fields, "",
"compression_level 3", 0);

50
unittest/formats/test_dump_custom.cpp
View File

@ -111,7 +111,7 @@ public:
TEST_F(DumpCustomTest, run1)
{
auto dump_file = dump_filename("run1");
auto fields =
const auto *fields =
"id type proc procp1 mass x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
generate_dump(dump_file, fields, "units yes", 1);
@ -128,8 +128,8 @@ TEST_F(DumpCustomTest, run1)
TEST_F(DumpCustomTest, thresh_run0)
{
auto dump_file = dump_filename("thresh_run0");
auto fields = "id type x y z";
auto dump_file = dump_filename("thresh_run0");
const auto *fields = "id type x y z";
generate_dump(dump_file, fields, "units yes thresh x < 1 thresh y < 1 thresh z < 1", 0);
@ -149,8 +149,8 @@ TEST_F(DumpCustomTest, compute_run0)
command("compute comp all property/atom x y z");
END_HIDE_OUTPUT();
auto dump_file = dump_filename("compute_run0");
auto fields = "id type x y z c_comp[1] c_comp[2] c_comp[3]";
auto dump_file = dump_filename("compute_run0");
const auto *fields = "id type x y z c_comp[1] c_comp[2] c_comp[3]";
generate_dump(dump_file, fields, "units yes", 0);
@ -172,8 +172,8 @@ TEST_F(DumpCustomTest, fix_run0)
command("fix numdiff all numdiff 1 0.0001");
END_HIDE_OUTPUT();
auto dump_file = dump_filename("fix_run0");
auto fields = "id x y z f_numdiff[1] f_numdiff[2] f_numdiff[3]";
auto dump_file = dump_filename("fix_run0");
const auto *fields = "id x y z f_numdiff[1] f_numdiff[2] f_numdiff[3]";
generate_dump(dump_file, fields, "units yes", 0);
@ -194,8 +194,8 @@ TEST_F(DumpCustomTest, custom_run0)
command("compute 1 all property/atom i_flag1 d_flag2");
END_HIDE_OUTPUT();
auto dump_file = dump_filename("custom_run0");
auto fields = "id x y z i_flag1 d_flag2";
auto dump_file = dump_filename("custom_run0");
const auto *fields = "id x y z i_flag1 d_flag2";
generate_dump(dump_file, fields, "units yes", 0);
@ -215,7 +215,8 @@ TEST_F(DumpCustomTest, binary_run1)
auto text_file = text_dump_filename("run1");
auto binary_file = binary_dump_filename("run1");
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
generate_text_and_binary_dump(text_file, binary_file, fields, "units yes", 1);
@ -234,7 +235,8 @@ TEST_F(DumpCustomTest, binary_run1)
TEST_F(DumpCustomTest, triclinic_run1)
{
auto dump_file = dump_filename("tri_run1");
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
enable_triclinic();
@ -254,9 +256,9 @@ TEST_F(DumpCustomTest, binary_triclinic_run1)
{
if (!BINARY2TXT_EXECUTABLE) GTEST_SKIP();
auto text_file = text_dump_filename("tri_run1");
auto binary_file = binary_dump_filename("tri_run1");
auto fields = "id type proc x y z xs ys zs xsu ysu zsu vx vy vz fx fy fz";
auto text_file = text_dump_filename("tri_run1");
auto binary_file = binary_dump_filename("tri_run1");
const auto *fields = "id type proc x y z xs ys zs xsu ysu zsu vx vy vz fx fy fz";
enable_triclinic();
@ -281,8 +283,8 @@ TEST_F(DumpCustomTest, with_variable_run1)
command("variable p atom (c_1%10)+1");
END_HIDE_OUTPUT();
auto dump_file = dump_filename("with_variable_run1");
auto fields = "id type x y z v_p";
auto dump_file = dump_filename("with_variable_run1");
const auto *fields = "id type x y z v_p";
generate_dump(dump_file, fields, "units yes", 1);
@ -298,8 +300,8 @@ TEST_F(DumpCustomTest, with_variable_run1)
TEST_F(DumpCustomTest, run1plus1)
{
auto dump_file = dump_filename("run1plus1");
auto fields = "id type x y z";
auto dump_file = dump_filename("run1plus1");
const auto *fields = "id type x y z";
generate_dump(dump_file, fields, "units yes", 1);
@ -315,8 +317,8 @@ TEST_F(DumpCustomTest, run1plus1)
TEST_F(DumpCustomTest, run2)
{
auto dump_file = dump_filename("run2");
auto fields = "id type x y z";
auto dump_file = dump_filename("run2");
const auto *fields = "id type x y z";
generate_dump(dump_file, fields, "", 2);
ASSERT_FILE_EXISTS(dump_file);
@ -326,8 +328,8 @@ TEST_F(DumpCustomTest, run2)
TEST_F(DumpCustomTest, rerun)
{
auto dump_file = dump_filename("rerun");
auto fields = "id type xs ys zs";
auto dump_file = dump_filename("rerun");
const auto *fields = "id type xs ys zs";
HIDE_OUTPUT([&] {
command("fix 1 all nve");
@ -358,8 +360,8 @@ TEST_F(DumpCustomTest, rerun)
TEST_F(DumpCustomTest, rerun_bin)
{
auto dump_file = binary_dump_filename("rerun");
auto fields = "id type xs ys zs";
auto dump_file = binary_dump_filename("rerun");
const auto *fields = "id type xs ys zs";
HIDE_OUTPUT([&] {
command("fix 1 all nve");

119
unittest/formats/test_dump_custom_compressed.cpp
View File

@ -31,10 +31,11 @@ TEST_F(DumpCustomCompressTest, compressed_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "custom_run1.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *base_name = "custom_run1.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
if (compression_style == "custom/zstd") {
generate_text_and_compressed_dump(text_file, compressed_file, fields, fields, "units yes",
@ -61,10 +62,11 @@ TEST_F(DumpCustomCompressTest, compressed_with_time_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "with_time_custom_run1.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *base_name = "with_time_custom_run1.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
if (compression_style == "custom/zstd") {
generate_text_and_compressed_dump(text_file, compressed_file, fields, fields, "time yes",
@ -91,10 +93,11 @@ TEST_F(DumpCustomCompressTest, compressed_no_buffer_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "no_buffer_custom_run1.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *base_name = "no_buffer_custom_run1.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
if (compression_style == "custom/zstd") {
generate_text_and_compressed_dump(text_file, compressed_file, fields, fields, "buffer no",
@ -121,10 +124,10 @@ TEST_F(DumpCustomCompressTest, compressed_triclinic_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "custom_tri_run1.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
auto fields = "id type proc x y z xs ys zs xsu ysu zsu vx vy vz fx fy fz";
const auto *base_name = "custom_tri_run1.melt";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *fields = "id type proc x y z xs ys zs xsu ysu zsu vx vy vz fx fy fz";
enable_triclinic();
@ -148,16 +151,17 @@ TEST_F(DumpCustomCompressTest, compressed_multi_file_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_run1_*.melt.custom";
auto base_name_0 = "multi_file_run1_0.melt.custom";
auto base_name_1 = "multi_file_run1_1.melt.custom";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *base_name = "multi_file_run1_*.melt.custom";
const auto *base_name_0 = "multi_file_run1_0.melt.custom";
const auto *base_name_1 = "multi_file_run1_1.melt.custom";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
if (compression_style == "custom/zstd") {
generate_text_and_compressed_dump(text_file, compressed_file, fields, fields, "",
@ -190,16 +194,17 @@ TEST_F(DumpCustomCompressTest, compressed_multi_file_with_pad_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_pad_run1_*.melt.custom";
auto base_name_0 = "multi_file_pad_run1_000.melt.custom";
auto base_name_1 = "multi_file_pad_run1_001.melt.custom";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *base_name = "multi_file_pad_run1_*.melt.custom";
const auto *base_name_0 = "multi_file_pad_run1_000.melt.custom";
const auto *base_name_1 = "multi_file_pad_run1_001.melt.custom";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
generate_text_and_compressed_dump(text_file, compressed_file, fields, "pad 3", 1);
@ -232,19 +237,20 @@ TEST_F(DumpCustomCompressTest, compressed_multi_file_with_maxfiles_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_maxfiles_run1_*.melt.custom";
auto base_name_0 = "multi_file_maxfiles_run1_0.melt.custom";
auto base_name_1 = "multi_file_maxfiles_run1_1.melt.custom";
auto base_name_2 = "multi_file_maxfiles_run1_2.melt.custom";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto text_file_2 = text_dump_filename(base_name_2);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto compressed_file_2 = compressed_dump_filename(base_name_2);
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *base_name = "multi_file_maxfiles_run1_*.melt.custom";
const auto *base_name_0 = "multi_file_maxfiles_run1_0.melt.custom";
const auto *base_name_1 = "multi_file_maxfiles_run1_1.melt.custom";
const auto *base_name_2 = "multi_file_maxfiles_run1_2.melt.custom";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto text_file_2 = text_dump_filename(base_name_2);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto compressed_file_2 = compressed_dump_filename(base_name_2);
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
generate_text_and_compressed_dump(text_file, compressed_file, fields, "maxfiles 2", 2);
@ -279,7 +285,8 @@ TEST_F(DumpCustomCompressTest, compressed_modify_bad_param)
{
if (compression_style != "custom/gz") GTEST_SKIP();
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
command(fmt::format("dump id1 all {} 1 {} {}", compression_style,
compressed_dump_filename("modify_bad_param_run0_*.melt.custom"), fields));
@ -292,7 +299,8 @@ TEST_F(DumpCustomCompressTest, compressed_modify_multi_bad_param)
{
if (compression_style != "custom/gz") GTEST_SKIP();
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
command(fmt::format("dump id1 all {} 1 {} {}", compression_style,
compressed_dump_filename("modify_multi_bad_param_run0_*.melt.custom"),
fields));
@ -306,11 +314,12 @@ TEST_F(DumpCustomCompressTest, compressed_modify_clevel_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "modify_clevel_run0.melt.custom";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *base_name = "modify_clevel_run0.melt.custom";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
const auto *fields =
"id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
generate_text_and_compressed_dump(text_file, compressed_file, fields, fields, "",
"compression_level 3", 0);

20
unittest/formats/test_dump_local.cpp
View File

@ -73,7 +73,7 @@ public:
TEST_F(DumpLocalTest, run0)
{
auto dump_file = "dump_local_run0.melt";
const auto *dump_file = "dump_local_run0.melt";
generate_dump(dump_file, "index c_comp[1]", "", 0);
ASSERT_FILE_EXISTS(dump_file);
@ -98,7 +98,7 @@ TEST_F(DumpLocalTest, run0)
TEST_F(DumpLocalTest, label_run0)
{
auto dump_file = "dump_local_label_run0.melt";
const auto *dump_file = "dump_local_label_run0.melt";
generate_dump(dump_file, "index c_comp[1]", "label ELEMENTS", 0);
ASSERT_FILE_EXISTS(dump_file);
@ -110,7 +110,7 @@ TEST_F(DumpLocalTest, label_run0)
TEST_F(DumpLocalTest, format_line_run0)
{
auto dump_file = "dump_local_format_line_run0.melt";
const auto *dump_file = "dump_local_format_line_run0.melt";
generate_dump(dump_file, "index c_comp[1]", "format line \"%d %20.8g\"", 0);
ASSERT_FILE_EXISTS(dump_file);
@ -123,7 +123,7 @@ TEST_F(DumpLocalTest, format_line_run0)
TEST_F(DumpLocalTest, format_int_run0)
{
auto dump_file = "dump_local_format_int_run0.melt";
const auto *dump_file = "dump_local_format_int_run0.melt";
generate_dump(dump_file, "index c_comp[1]", "format int \"%20d\"", 0);
ASSERT_FILE_EXISTS(dump_file);
@ -136,7 +136,7 @@ TEST_F(DumpLocalTest, format_int_run0)
TEST_F(DumpLocalTest, format_float_run0)
{
auto dump_file = "dump_local_format_float_run0.melt";
const auto *dump_file = "dump_local_format_float_run0.melt";
generate_dump(dump_file, "index c_comp[1]", "format float \"%20.5g\"", 0);
ASSERT_FILE_EXISTS(dump_file);
@ -149,7 +149,7 @@ TEST_F(DumpLocalTest, format_float_run0)
TEST_F(DumpLocalTest, format_column_run0)
{
auto dump_file = "dump_local_format_column_run0.melt";
const auto *dump_file = "dump_local_format_column_run0.melt";
generate_dump(dump_file, "index c_comp[1]", "format 1 \"%20d\"", 0);
ASSERT_FILE_EXISTS(dump_file);
@ -162,7 +162,7 @@ TEST_F(DumpLocalTest, format_column_run0)
TEST_F(DumpLocalTest, no_buffer_run0)
{
auto dump_file = "dump_local_format_line_run0.melt";
const auto *dump_file = "dump_local_format_line_run0.melt";
generate_dump(dump_file, "index c_comp[1]", "buffer no", 0);
ASSERT_FILE_EXISTS(dump_file);
@ -187,7 +187,7 @@ TEST_F(DumpLocalTest, no_buffer_run0)
TEST_F(DumpLocalTest, with_units_run0)
{
auto dump_file = "dump_with_units_run0.melt";
const auto *dump_file = "dump_with_units_run0.melt";
generate_dump(dump_file, "index c_comp[1]", "units yes", 0);
ASSERT_FILE_EXISTS(dump_file);
@ -206,7 +206,7 @@ TEST_F(DumpLocalTest, with_units_run0)
TEST_F(DumpLocalTest, with_time_run0)
{
auto dump_file = "dump_with_time_run0.melt";
const auto *dump_file = "dump_with_time_run0.melt";
generate_dump(dump_file, "index c_comp[1]", "time yes", 0);
ASSERT_FILE_EXISTS(dump_file);
@ -225,7 +225,7 @@ TEST_F(DumpLocalTest, with_time_run0)
TEST_F(DumpLocalTest, triclinic_run0)
{
auto dump_file = "dump_local_triclinic_run0.melt";
const auto *dump_file = "dump_local_triclinic_run0.melt";
enable_triclinic();
generate_dump(dump_file, "index c_comp[1]", "", 0);

148
unittest/formats/test_dump_local_compressed.cpp
View File

@ -40,13 +40,13 @@ TEST_F(DumpLocalCompressTest, compressed_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "run*.melt.local";
auto base_name_0 = "run0.melt.local";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto fields = "index c_comp[1]";
const auto *base_name = "run*.melt.local";
const auto *base_name_0 = "run0.melt.local";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *fields = "index c_comp[1]";
if (compression_style == "local/zstd") {
generate_text_and_compressed_dump(text_files, compressed_files, fields, fields, "",
@ -73,13 +73,13 @@ TEST_F(DumpLocalCompressTest, compressed_no_buffer_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "no_buffer_run*.melt.local";
auto base_name_0 = "no_buffer_run0.melt.local";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto fields = "index c_comp[1]";
const auto *base_name = "no_buffer_run*.melt.local";
const auto *base_name_0 = "no_buffer_run0.melt.local";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *fields = "index c_comp[1]";
if (compression_style == "local/zstd") {
generate_text_and_compressed_dump(text_files, compressed_files, fields, fields, "buffer no",
@ -106,13 +106,13 @@ TEST_F(DumpLocalCompressTest, compressed_with_time_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "with_time_run*.melt.local";
auto base_name_0 = "with_time_run0.melt.local";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto fields = "index c_comp[1]";
const auto *base_name = "with_time_run*.melt.local";
const auto *base_name_0 = "with_time_run0.melt.local";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *fields = "index c_comp[1]";
if (compression_style == "local/zstd") {
generate_text_and_compressed_dump(text_files, compressed_files, fields, fields, "time yes",
@ -139,13 +139,13 @@ TEST_F(DumpLocalCompressTest, compressed_with_units_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "with_units_run*.melt.local";
auto base_name_0 = "with_units_run0.melt.local";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto fields = "index c_comp[1]";
const auto *base_name = "with_units_run*.melt.local";
const auto *base_name_0 = "with_units_run0.melt.local";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *fields = "index c_comp[1]";
if (compression_style == "local/zstd") {
generate_text_and_compressed_dump(text_files, compressed_files, fields, fields, "units yes",
@ -173,13 +173,13 @@ TEST_F(DumpLocalCompressTest, compressed_triclinic_run0)
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
enable_triclinic();
auto base_name = "triclinic_run*.melt.local";
auto base_name_0 = "triclinic_run0.melt.local";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto fields = "index c_comp[1]";
const auto *base_name = "triclinic_run*.melt.local";
const auto *base_name_0 = "triclinic_run0.melt.local";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *fields = "index c_comp[1]";
if (compression_style == "local/zstd") {
generate_text_and_compressed_dump(text_files, compressed_files, fields, fields, "",
@ -206,16 +206,16 @@ TEST_F(DumpLocalCompressTest, compressed_multi_file_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_run1_*.melt.local";
auto base_name_0 = "multi_file_run1_0.melt.local";
auto base_name_1 = "multi_file_run1_1.melt.local";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto fields = "index c_comp[1]";
const auto *base_name = "multi_file_run1_*.melt.local";
const auto *base_name_0 = "multi_file_run1_0.melt.local";
const auto *base_name_1 = "multi_file_run1_1.melt.local";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
const auto *fields = "index c_comp[1]";
if (compression_style == "local/zstd") {
generate_text_and_compressed_dump(text_file, compressed_file, fields, fields, "",
@ -248,16 +248,16 @@ TEST_F(DumpLocalCompressTest, compressed_multi_file_with_pad_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_pad_run1_*.melt.local";
auto base_name_0 = "multi_file_pad_run1_000.melt.local";
auto base_name_1 = "multi_file_pad_run1_001.melt.local";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto fields = "index c_comp[1]";
const auto *base_name = "multi_file_pad_run1_*.melt.local";
const auto *base_name_0 = "multi_file_pad_run1_000.melt.local";
const auto *base_name_1 = "multi_file_pad_run1_001.melt.local";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
const auto *fields = "index c_comp[1]";
generate_text_and_compressed_dump(text_file, compressed_file, fields, "pad 3", 1);
@ -290,19 +290,19 @@ TEST_F(DumpLocalCompressTest, compressed_multi_file_with_maxfiles_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_maxfiles_run1_*.melt.local";
auto base_name_0 = "multi_file_maxfiles_run1_0.melt.local";
auto base_name_1 = "multi_file_maxfiles_run1_1.melt.local";
auto base_name_2 = "multi_file_maxfiles_run1_2.melt.local";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto text_file_2 = text_dump_filename(base_name_2);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto compressed_file_2 = compressed_dump_filename(base_name_2);
auto fields = "index c_comp[1]";
const auto *base_name = "multi_file_maxfiles_run1_*.melt.local";
const auto *base_name_0 = "multi_file_maxfiles_run1_0.melt.local";
const auto *base_name_1 = "multi_file_maxfiles_run1_1.melt.local";
const auto *base_name_2 = "multi_file_maxfiles_run1_2.melt.local";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto text_file_2 = text_dump_filename(base_name_2);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto compressed_file_2 = compressed_dump_filename(base_name_2);
const auto *fields = "index c_comp[1]";
generate_text_and_compressed_dump(text_file, compressed_file, fields, "maxfiles 2", 2);
@ -337,7 +337,7 @@ TEST_F(DumpLocalCompressTest, compressed_modify_bad_param)
{
if (compression_style != "local/gz") GTEST_SKIP();
auto fields = "index c_comp[1]";
const auto *fields = "index c_comp[1]";
BEGIN_HIDE_OUTPUT();
command(fmt::format("dump id1 all {} 1 {} {}", compression_style,
@ -353,7 +353,7 @@ TEST_F(DumpLocalCompressTest, compressed_modify_multi_bad_param)
{
if (compression_style != "local/gz") GTEST_SKIP();
auto fields = "index c_comp[1]";
const auto *fields = "index c_comp[1]";
BEGIN_HIDE_OUTPUT();
command(fmt::format("dump id1 all {} 1 {} {}", compression_style,
@ -370,10 +370,10 @@ TEST_F(DumpLocalCompressTest, compressed_modify_clevel_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "modify_clevel_run0.melt.local";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
auto fields = "index c_comp[1]";
const auto *base_name = "modify_clevel_run0.melt.local";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *fields = "index c_comp[1]";
generate_text_and_compressed_dump(text_file, compressed_file, fields, fields, "",
"compression_level 3", 0);

8
unittest/formats/test_dump_netcdf.cpp
View File

@ -91,8 +91,8 @@ public:
TEST_F(DumpNetCDFTest, run0_plain)
{
if (!lammps_has_style(lmp, "dump", "netcdf")) GTEST_SKIP();
auto dump_file = dump_filename("run0");
auto fields = "id type proc procp1 mass x y z ix iy iz xu yu zu vx vy vz fx fy fz";
auto dump_file = dump_filename("run0");
const auto *fields = "id type proc procp1 mass x y z ix iy iz xu yu zu vx vy vz fx fy fz";
set_style("netcdf");
generate_dump(dump_file, fields, "", 0);
@ -285,8 +285,8 @@ TEST_F(DumpNetCDFTest, run0_plain)
TEST_F(DumpNetCDFTest, run0_mpi)
{
if (!lammps_has_style(lmp, "dump", "netcdf/mpiio")) GTEST_SKIP();
auto dump_file = dump_filename("mpi0");
auto fields = "id type proc procp1 mass x y z ix iy iz xu yu zu vx vy vz fx fy fz";
auto dump_file = dump_filename("mpi0");
const auto *fields = "id type proc procp1 mass x y z ix iy iz xu yu zu vx vy vz fx fy fz";
set_style("netcdf/mpiio");
generate_dump(dump_file, fields, "", 0);

90
unittest/formats/test_dump_xyz_compressed.cpp
View File

@ -31,12 +31,12 @@ TEST_F(DumpXYZCompressTest, compressed_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "run*.melt.xyz";
auto base_name_0 = "run0.melt.xyz";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *base_name = "run*.melt.xyz";
const auto *base_name_0 = "run0.melt.xyz";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
if (compression_style == "xyz/zstd") {
generate_text_and_compressed_dump(text_files, compressed_files, "", "", "", "checksum yes",
@ -63,12 +63,12 @@ TEST_F(DumpXYZCompressTest, compressed_no_buffer_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "no_buffer_run*.melt.xyz";
auto base_name_0 = "no_buffer_run0.melt.xyz";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
const auto *base_name = "no_buffer_run*.melt.xyz";
const auto *base_name_0 = "no_buffer_run0.melt.xyz";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
if (compression_style == "xyz/zstd") {
generate_text_and_compressed_dump(text_files, compressed_files, "", "", "buffer no",
@ -95,15 +95,15 @@ TEST_F(DumpXYZCompressTest, compressed_multi_file_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_run1_*.melt.xyz";
auto base_name_0 = "multi_file_run1_0.melt.xyz";
auto base_name_1 = "multi_file_run1_1.melt.xyz";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
const auto *base_name = "multi_file_run1_*.melt.xyz";
const auto *base_name_0 = "multi_file_run1_0.melt.xyz";
const auto *base_name_1 = "multi_file_run1_1.melt.xyz";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
if (compression_style == "xyz/zstd") {
generate_text_and_compressed_dump(text_file, compressed_file, "", "", "", "checksum no", 1);
@ -135,15 +135,15 @@ TEST_F(DumpXYZCompressTest, compressed_multi_file_with_pad_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_pad_run1_*.melt.xyz";
auto base_name_0 = "multi_file_pad_run1_000.melt.xyz";
auto base_name_1 = "multi_file_pad_run1_001.melt.xyz";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
const auto *base_name = "multi_file_pad_run1_*.melt.xyz";
const auto *base_name_0 = "multi_file_pad_run1_000.melt.xyz";
const auto *base_name_1 = "multi_file_pad_run1_001.melt.xyz";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
generate_text_and_compressed_dump(text_file, compressed_file, "", "pad 3", 1);
@ -176,18 +176,18 @@ TEST_F(DumpXYZCompressTest, compressed_multi_file_with_maxfiles_run1)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "multi_file_maxfiles_run1_*.melt.xyz";
auto base_name_0 = "multi_file_maxfiles_run1_0.melt.xyz";
auto base_name_1 = "multi_file_maxfiles_run1_1.melt.xyz";
auto base_name_2 = "multi_file_maxfiles_run1_2.melt.xyz";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto text_file_2 = text_dump_filename(base_name_2);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto compressed_file_2 = compressed_dump_filename(base_name_2);
const auto *base_name = "multi_file_maxfiles_run1_*.melt.xyz";
const auto *base_name_0 = "multi_file_maxfiles_run1_0.melt.xyz";
const auto *base_name_1 = "multi_file_maxfiles_run1_1.melt.xyz";
const auto *base_name_2 = "multi_file_maxfiles_run1_2.melt.xyz";
auto text_file = text_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto text_file_1 = text_dump_filename(base_name_1);
auto text_file_2 = text_dump_filename(base_name_2);
auto compressed_file = compressed_dump_filename(base_name);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
auto compressed_file_1 = compressed_dump_filename(base_name_1);
auto compressed_file_2 = compressed_dump_filename(base_name_2);
generate_text_and_compressed_dump(text_file, compressed_file, "", "maxfiles 2", 2);
@ -250,9 +250,9 @@ TEST_F(DumpXYZCompressTest, compressed_modify_clevel_run0)
{
if (!COMPRESS_EXECUTABLE) GTEST_SKIP();
auto base_name = "modify_clevel_run0.melt.xyz";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
const auto *base_name = "modify_clevel_run0.melt.xyz";
auto text_file = text_dump_filename(base_name);
auto compressed_file = compressed_dump_filename(base_name);
generate_text_and_compressed_dump(text_file, compressed_file, "", "", "", "compression_level 3",
0);

8
unittest/formats/test_file_operations.cpp
View File

@ -511,10 +511,10 @@ TEST_F(FileOperationsTest, read_data_fix)
lmp->atom->molecule[1] = 6;
lmp->atom->molecule[2] = 5;
lmp->atom->molecule[3] = 6;
lmp->atom->tag[0] = 9;
lmp->atom->tag[1] = 6;
lmp->atom->tag[2] = 7;
lmp->atom->tag[3] = 8;
lmp->atom->tag[0] = 9;
lmp->atom->tag[1] = 6;
lmp->atom->tag[2] = 7;
lmp->atom->tag[3] = 8;
lmp->atom->map_init(1);
lmp->atom->map_set();
command("write_data test_mol_id_merge.data");

16
unittest/formats/test_image_flags.cpp
View File

@ -61,10 +61,10 @@ protected:
TEST_F(ImageFlagsTest, change_box)
{
auto image = lmp->atom->image;
int imx = (image[0] & IMGMASK) - IMGMAX;
int imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
int imz = (image[0] >> IMG2BITS) - IMGMAX;
auto *image = lmp->atom->image;
int imx = (image[0] & IMGMASK) - IMGMAX;
int imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
int imz = (image[0] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx, -1);
ASSERT_EQ(imy, 2);
@ -153,10 +153,10 @@ TEST_F(ImageFlagsTest, read_data)
command("read_data test_image_flags.data");
END_HIDE_OUTPUT();
auto image = lmp->atom->image;
int imx = (image[0] & IMGMASK) - IMGMAX;
int imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
int imz = (image[0] >> IMG2BITS) - IMGMAX;
auto *image = lmp->atom->image;
int imx = (image[0] & IMGMASK) - IMGMAX;
int imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
int imz = (image[0] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx, -1);
ASSERT_EQ(imy, 2);

26
unittest/formats/test_potential_file_reader.cpp
View File

@ -67,7 +67,7 @@ TEST_F(PotentialFileReaderTest, Sw_native)
PotentialFileReader reader(lmp, "Si.sw", "Stillinger-Weber");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairSW::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairSW::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairSW::NPARAMS_PER_LINE);
}
@ -79,7 +79,7 @@ TEST_F(PotentialFileReaderTest, Sw_conv)
PotentialFileReader reader(lmp, "Si.sw", "Stillinger-Weber", utils::METAL2REAL);
END_HIDE_OUTPUT();
auto line = reader.next_line(PairSW::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairSW::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairSW::NPARAMS_PER_LINE);
}
@ -101,7 +101,7 @@ TEST_F(PotentialFileReaderTest, Comb)
PotentialFileReader reader(lmp, "ffield.comb", "COMB");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairComb::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairComb::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairComb::NPARAMS_PER_LINE);
}
@ -112,7 +112,7 @@ TEST_F(PotentialFileReaderTest, Comb3)
PotentialFileReader reader(lmp, "ffield.comb3", "COMB3");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairComb3::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairComb3::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairComb3::NPARAMS_PER_LINE);
}
@ -123,7 +123,7 @@ TEST_F(PotentialFileReaderTest, Tersoff)
PotentialFileReader reader(lmp, "Si.tersoff", "Tersoff");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairTersoff::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairTersoff::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoff::NPARAMS_PER_LINE);
}
@ -134,7 +134,7 @@ TEST_F(PotentialFileReaderTest, TersoffMod)
PotentialFileReader reader(lmp, "Si.tersoff.mod", "Tersoff/Mod");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairTersoffMOD::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairTersoffMOD::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoffMOD::NPARAMS_PER_LINE);
}
@ -145,7 +145,7 @@ TEST_F(PotentialFileReaderTest, TersoffModC)
PotentialFileReader reader(lmp, "Si.tersoff.modc", "Tersoff/ModC");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairTersoffMODC::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairTersoffMODC::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoffMODC::NPARAMS_PER_LINE);
}
@ -156,7 +156,7 @@ TEST_F(PotentialFileReaderTest, TersoffTable)
PotentialFileReader reader(lmp, "Si.tersoff", "TersoffTable");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairTersoffTable::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairTersoffTable::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoffTable::NPARAMS_PER_LINE);
}
@ -167,7 +167,7 @@ TEST_F(PotentialFileReaderTest, TersoffZBL)
PotentialFileReader reader(lmp, "SiC.tersoff.zbl", "Tersoff/ZBL");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairTersoffZBL::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairTersoffZBL::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoffZBL::NPARAMS_PER_LINE);
}
@ -178,7 +178,7 @@ TEST_F(PotentialFileReaderTest, GW)
PotentialFileReader reader(lmp, "SiC.gw", "GW");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairGW::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairGW::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairGW::NPARAMS_PER_LINE);
}
@ -189,7 +189,7 @@ TEST_F(PotentialFileReaderTest, GWZBL)
PotentialFileReader reader(lmp, "SiC.gw.zbl", "GW/ZBL");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairGWZBL::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairGWZBL::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairGWZBL::NPARAMS_PER_LINE);
}
@ -200,7 +200,7 @@ TEST_F(PotentialFileReaderTest, Nb3bHarmonic)
PotentialFileReader reader(lmp, "MOH.nb3b.harmonic", "NB3B Harmonic");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairNb3bHarmonic::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairNb3bHarmonic::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairNb3bHarmonic::NPARAMS_PER_LINE);
}
@ -211,7 +211,7 @@ TEST_F(PotentialFileReaderTest, Vashishta)
PotentialFileReader reader(lmp, "SiC.vashishta", "Vashishta");
END_HIDE_OUTPUT();
auto line = reader.next_line(PairVashishta::NPARAMS_PER_LINE);
auto *line = reader.next_line(PairVashishta::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairVashishta::NPARAMS_PER_LINE);
}

16
unittest/formats/test_text_file_reader.cpp
View File

@ -61,8 +61,8 @@ protected:
TEST_F(TextFileReaderTest, nofile)
{
ASSERT_THROW({ TextFileReader reader("text_reader_noexist.file", "test"); },
FileReaderException);
ASSERT_THROW(
{ TextFileReader reader("text_reader_noexist.file", "test"); }, FileReaderException);
}
// this test cannot work on windows due to its non unix-like permission system
@ -76,8 +76,8 @@ TEST_F(TextFileReaderTest, permissions)
fputs("word\n", fp);
fclose(fp);
chmod("text_reader_noperms.file", 0);
ASSERT_THROW({ TextFileReader reader("text_reader_noperms.file", "test"); },
FileReaderException);
ASSERT_THROW(
{ TextFileReader reader("text_reader_noperms.file", "test"); }, FileReaderException);
platform::unlink("text_reader_noperms.file");
}
#endif
@ -93,8 +93,8 @@ TEST_F(TextFileReaderTest, usefp)
FILE *fp = fopen("text_reader_two.file", "r");
ASSERT_NE(fp, nullptr);
auto reader = new TextFileReader(fp, "test");
auto line = reader->next_line();
auto *reader = new TextFileReader(fp, "test");
auto *line = reader->next_line();
ASSERT_STREQ(line, "4 ");
line = reader->next_line(1);
ASSERT_STREQ(line, "4 0.5 ");
@ -120,7 +120,7 @@ TEST_F(TextFileReaderTest, comments)
test_files();
TextFileReader reader("text_reader_two.file", "test");
reader.ignore_comments = true;
auto line = reader.next_line();
auto *line = reader.next_line();
ASSERT_STREQ(line, "4 ");
line = reader.next_line(1);
ASSERT_STREQ(line, "4 0.5 ");
@ -141,7 +141,7 @@ TEST_F(TextFileReaderTest, nocomments)
test_files();
TextFileReader reader("text_reader_one.file", "test");
reader.ignore_comments = false;
auto line = reader.next_line();
auto *line = reader.next_line();
ASSERT_STREQ(line, "# test file 1 for text file reader\n");
line = reader.next_line(1);
ASSERT_STREQ(line, "one\n");