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apply clang-format

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This commit is contained in:
Axel Kohlmeyer
2022-01-30 17:18:40 -05:00
parent 3707b327c0
commit 7ee7d0c570
25 changed files with 77 additions and 68 deletions
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16
unittest/c-library/test_library_commands.cpp
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@ -20,7 +20,7 @@ const char *cont_input[] = {"create_atoms 1 single &", "0.2 0.1 0.1"};
class LibraryCommands : public ::testing::Test { class LibraryCommands : public ::testing::Test {
protected: protected:
void *lmp; void *lmp;
LibraryCommands() = default; LibraryCommands() = default;
~LibraryCommands() override = default; ~LibraryCommands() override = default;
void SetUp() override void SetUp() override
@ -55,13 +55,13 @@ TEST_F(LibraryCommands, from_file)
const char cont_file[] = "in.cont"; const char cont_file[] = "in.cont";
fp = fopen(demo_file, "w"); fp = fopen(demo_file, "w");
for (auto & inp : demo_input) { for (auto &inp : demo_input) {
fputs(inp, fp); fputs(inp, fp);
fputc('\n', fp); fputc('\n', fp);
} }
fclose(fp); fclose(fp);
fp = fopen(cont_file, "w"); fp = fopen(cont_file, "w");
for (auto & inp : cont_input) { for (auto &inp : cont_input) {
fputs(inp, fp); fputs(inp, fp);
fputc('\n', fp); fputc('\n', fp);
} }
@ -85,7 +85,7 @@ TEST_F(LibraryCommands, from_line)
{ {
EXPECT_EQ(lammps_get_natoms(lmp), 0); EXPECT_EQ(lammps_get_natoms(lmp), 0);
if (!verbose) ::testing::internal::CaptureStdout(); if (!verbose) ::testing::internal::CaptureStdout();
for (auto & inp : demo_input) { for (auto &inp : demo_input) {
lammps_command(lmp, inp); lammps_command(lmp, inp);
} }
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();
@ -106,11 +106,11 @@ TEST_F(LibraryCommands, from_string)
{ {
std::string cmds(""); std::string cmds("");
for (auto & inp : demo_input) { for (auto &inp : demo_input) {
cmds += inp; cmds += inp;
cmds += "\n"; cmds += "\n";
} }
for (auto & inp : cont_input) { for (auto &inp : cont_input) {
cmds += inp; cmds += inp;
cmds += "\n"; cmds += "\n";
} }
@ -126,11 +126,11 @@ TEST_F(LibraryCommands, from_string)
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();
cmds.clear(); cmds.clear();
for (auto & inp : demo_input) { for (auto &inp : demo_input) {
cmds += inp; cmds += inp;
cmds += "\r\n"; cmds += "\r\n";
} }
for (auto & inp : cont_input) { for (auto &inp : cont_input) {
cmds += inp; cmds += inp;
cmds += "\r\n"; cmds += "\r\n";
} }

2
unittest/c-library/test_library_config.cpp
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@ -22,7 +22,7 @@ protected:
void *lmp; void *lmp;
std::string INPUT_DIR = STRINGIFY(TEST_INPUT_FOLDER); std::string INPUT_DIR = STRINGIFY(TEST_INPUT_FOLDER);
LibraryConfig() = default; LibraryConfig() = default;
~LibraryConfig() override = default; ~LibraryConfig() override = default;
void SetUp() override void SetUp() override

8
unittest/c-library/test_library_properties.cpp
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@ -23,7 +23,7 @@ protected:
void *lmp; void *lmp;
std::string INPUT_DIR = STRINGIFY(TEST_INPUT_FOLDER); std::string INPUT_DIR = STRINGIFY(TEST_INPUT_FOLDER);
LibraryProperties() = default; LibraryProperties() = default;
~LibraryProperties() override = default; ~LibraryProperties() override = default;
void SetUp() override void SetUp() override
@ -436,8 +436,10 @@ class AtomProperties : public ::testing::Test {
protected: protected:
void *lmp; void *lmp;
AtomProperties()= default;; AtomProperties() = default;
~AtomProperties() override= default;; ;
~AtomProperties() override = default;
;
void SetUp() override void SetUp() override
{ {

2
unittest/c-library/test_library_scatter_gather.cpp
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@ -23,7 +23,7 @@ protected:
void *lmp; void *lmp;
std::string INPUT_DIR = STRINGIFY(TEST_INPUT_FOLDER); std::string INPUT_DIR = STRINGIFY(TEST_INPUT_FOLDER);
GatherProperties() = default; GatherProperties() = default;
~GatherProperties() override = default; ~GatherProperties() override = default;
void SetUp() override void SetUp() override

2
unittest/commands/test_lattice_region.cpp
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@ -35,8 +35,8 @@ bool verbose = false;
using LAMMPS_NS::utils::split_words; using LAMMPS_NS::utils::split_words;
namespace LAMMPS_NS { namespace LAMMPS_NS {
using ::testing::ExitedWithCode;
using ::testing::ContainsRegex; using ::testing::ContainsRegex;
using ::testing::ExitedWithCode;
using ::testing::StrEq; using ::testing::StrEq;
class LatticeRegionTest : public LAMMPSTest { class LatticeRegionTest : public LAMMPSTest {

12
unittest/commands/test_simple_commands.cpp
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@ -39,8 +39,8 @@ bool verbose = false;
using LAMMPS_NS::utils::split_words; using LAMMPS_NS::utils::split_words;
namespace LAMMPS_NS { namespace LAMMPS_NS {
using ::testing::ExitedWithCode;
using ::testing::ContainsRegex; using ::testing::ContainsRegex;
using ::testing::ExitedWithCode;
using ::testing::StrEq; using ::testing::StrEq;
class SimpleCommandsTest : public LAMMPSTest { class SimpleCommandsTest : public LAMMPSTest {
@ -412,14 +412,14 @@ TEST_F(SimpleCommandsTest, Plugin)
text = ::testing::internal::GetCapturedStdout(); text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text; if (verbose) std::cout << text;
ASSERT_THAT(text, ContainsRegex(".*1: command style plugin hello" ASSERT_THAT(text, ContainsRegex(".*1: command style plugin hello"
".*2: fix style plugin nve2.*")); ".*2: fix style plugin nve2.*"));
::testing::internal::CaptureStdout(); ::testing::internal::CaptureStdout();
lmp->input->one(fmt::format(loadfmt, "hello")); lmp->input->one(fmt::format(loadfmt, "hello"));
text = ::testing::internal::GetCapturedStdout(); text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text; if (verbose) std::cout << text;
ASSERT_THAT(text, ContainsRegex(".*Ignoring load of command style hello: " ASSERT_THAT(text, ContainsRegex(".*Ignoring load of command style hello: "
"must unload existing hello plugin.*")); "must unload existing hello plugin.*"));
::testing::internal::CaptureStdout(); ::testing::internal::CaptureStdout();
lmp->input->one("plugin unload command hello"); lmp->input->one("plugin unload command hello");
@ -479,7 +479,8 @@ TEST_F(SimpleCommandsTest, Shell)
test_var = getenv("TEST_VARIABLE"); test_var = getenv("TEST_VARIABLE");
ASSERT_NE(test_var, nullptr); ASSERT_NE(test_var, nullptr);
#if defined(_WIN32) #if defined(_WIN32)
// we cannot create empty environment variables on Windows so platform::putenv() sets their value to "1" // we cannot create empty environment variables on Windows so platform::putenv() sets their
// value to "1"
ASSERT_THAT(test_var, StrEq("1")); ASSERT_THAT(test_var, StrEq("1"));
#else #else
ASSERT_THAT(test_var, StrEq("")); ASSERT_THAT(test_var, StrEq(""));
@ -501,7 +502,8 @@ TEST_F(SimpleCommandsTest, CiteMe)
// find the two unique citations, but not the third // find the two unique citations, but not the third
ASSERT_THAT(text, ContainsRegex("test citation one.\n.*test citation two.*")); ASSERT_THAT(text, ContainsRegex("test citation one.\n.*test citation two.*"));
ASSERT_THAT(text, Not(ContainsRegex("test citation one.\n.*test citation two.*\n.*test citation one.*"))); ASSERT_THAT(text, Not(ContainsRegex(
"test citation one.\n.*test citation two.*\n.*test citation one.*")));
BEGIN_CAPTURE_OUTPUT(); BEGIN_CAPTURE_OUTPUT();
lmp->citeme->add("test citation one:\n 0\n"); lmp->citeme->add("test citation one:\n 0\n");

4
unittest/commands/test_variables.cpp
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@ -36,8 +36,8 @@ using LAMMPS_NS::MathConst::MY_PI;
using LAMMPS_NS::utils::split_words; using LAMMPS_NS::utils::split_words;
namespace LAMMPS_NS { namespace LAMMPS_NS {
using ::testing::ExitedWithCode;
using ::testing::ContainsRegex; using ::testing::ContainsRegex;
using ::testing::ExitedWithCode;
using ::testing::StrEq; using ::testing::StrEq;
class VariableTest : public LAMMPSTest { class VariableTest : public LAMMPSTest {
@ -317,7 +317,7 @@ TEST_F(VariableTest, Expressions)
ASSERT_TRUE(variable->equalstyle(ivar)); ASSERT_TRUE(variable->equalstyle(ivar));
ASSERT_DOUBLE_EQ(variable->compute_equal(ivar), 2.0); ASSERT_DOUBLE_EQ(variable->compute_equal(ivar), 2.0);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_three"), 3.0); ASSERT_DOUBLE_EQ(variable->compute_equal("v_three"), 3.0);
ASSERT_NEAR(variable->compute_equal("v_four"), MY_PI,1.0e-14); ASSERT_NEAR(variable->compute_equal("v_four"), MY_PI, 1.0e-14);
ASSERT_GE(variable->compute_equal("v_five"), 20210310); ASSERT_GE(variable->compute_equal("v_five"), 20210310);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_seven"), -1); ASSERT_DOUBLE_EQ(variable->compute_equal("v_seven"), -1);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_eight"), 2.5); ASSERT_DOUBLE_EQ(variable->compute_equal("v_eight"), 2.5);

6
unittest/cplusplus/test_input_class.cpp
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@ -60,13 +60,13 @@ TEST_F(Input_commands, from_file)
const char cont_file[] = "in.cont"; const char cont_file[] = "in.cont";
fp = fopen(demo_file, "w"); fp = fopen(demo_file, "w");
for (auto & inp : demo_input) { for (auto &inp : demo_input) {
fputs(inp, fp); fputs(inp, fp);
fputc('\n', fp); fputc('\n', fp);
} }
fclose(fp); fclose(fp);
fp = fopen(cont_file, "w"); fp = fopen(cont_file, "w");
for (auto & inp : cont_input) { for (auto &inp : cont_input) {
fputs(inp, fp); fputs(inp, fp);
fputc('\n', fp); fputc('\n', fp);
} }
@ -84,7 +84,7 @@ TEST_F(Input_commands, from_file)
TEST_F(Input_commands, from_line) TEST_F(Input_commands, from_line)
{ {
EXPECT_EQ(lmp->atom->natoms, 0); EXPECT_EQ(lmp->atom->natoms, 0);
for (auto & inp : demo_input) { for (auto &inp : demo_input) {
lmp->input->one(inp); lmp->input->one(inp);
} }
EXPECT_EQ(lmp->atom->natoms, 1); EXPECT_EQ(lmp->atom->natoms, 1);

4
unittest/cplusplus/test_lammps_class.cpp
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@ -372,8 +372,8 @@ TEST(LAMMPS_init, NoOpenMP)
::testing::internal::CaptureStdout(); ::testing::internal::CaptureStdout();
LAMMPS *lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD); LAMMPS *lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
std::string output = ::testing::internal::GetCapturedStdout(); std::string output = ::testing::internal::GetCapturedStdout();
EXPECT_THAT(output, EXPECT_THAT(output, ContainsRegex(
ContainsRegex(".*OMP_NUM_THREADS environment is not set.*Defaulting to 1 thread.*")); ".*OMP_NUM_THREADS environment is not set.*Defaulting to 1 thread.*"));
EXPECT_EQ(lmp->comm->nthreads, 1); EXPECT_EQ(lmp->comm->nthreads, 1);
::testing::internal::CaptureStdout(); ::testing::internal::CaptureStdout();
delete lmp; delete lmp;

2
unittest/force-styles/test_angle_style.cpp
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@ -289,7 +289,7 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
// run_stress // run_stress
stress = lmp->force->angle->virial; stress = lmp->force->angle->virial;
block = fmt::format("{:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e}", stress[0], block = fmt::format("{:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e}", stress[0],
stress[1], stress[2], stress[3], stress[4], stress[5]); stress[1], stress[2], stress[3], stress[4], stress[5]);
writer.emit_block("run_stress", block); writer.emit_block("run_stress", block);
block.clear(); block.clear();

2
unittest/force-styles/test_bond_style.cpp
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@ -289,7 +289,7 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
// run_stress // run_stress
stress = lmp->force->bond->virial; stress = lmp->force->bond->virial;
block = fmt::format("{:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e}", stress[0], block = fmt::format("{:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e}", stress[0],
stress[1], stress[2], stress[3], stress[4], stress[5]); stress[1], stress[2], stress[3], stress[4], stress[5]);
writer.emit_block("run_stress", block); writer.emit_block("run_stress", block);
block.clear(); block.clear();

2
unittest/force-styles/test_config_reader.cpp
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@ -374,7 +374,7 @@ void TestConfigReader::tags(const yaml_event_t &event)
{ {
std::stringstream data((char *)event.data.scalar.value); std::stringstream data((char *)event.data.scalar.value);
config.tags.clear(); config.tags.clear();
for (std::string tag; std::getline(data, tag, ','); ) { for (std::string tag; std::getline(data, tag, ',');) {
config.tags.push_back(trim(tag)); config.tags.push_back(trim(tag));
} }
} }

2
unittest/force-styles/test_dihedral_style.cpp
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@ -292,7 +292,7 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
// run_stress // run_stress
stress = lmp->force->dihedral->virial; stress = lmp->force->dihedral->virial;
block = fmt::format("{:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e}", stress[0], block = fmt::format("{:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e}", stress[0],
stress[1], stress[2], stress[3], stress[4], stress[5]); stress[1], stress[2], stress[3], stress[4], stress[5]);
writer.emit_block("run_stress", block); writer.emit_block("run_stress", block);
block.clear(); block.clear();

4
unittest/force-styles/test_fix_timestep.cpp
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@ -209,8 +209,8 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
if (fix->thermo_virial) { if (fix->thermo_virial) {
auto stress = fix->virial; auto stress = fix->virial;
block = fmt::format("{:23.16e} {:23.16e} {:23.16e} " block = fmt::format("{:23.16e} {:23.16e} {:23.16e} "
"{:23.16e} {:23.16e} {:23.16e}", "{:23.16e} {:23.16e} {:23.16e}",
stress[0], stress[1], stress[2], stress[3], stress[4], stress[5]); stress[0], stress[1], stress[2], stress[3], stress[4], stress[5]);
writer.emit_block("run_stress", block); writer.emit_block("run_stress", block);
} }

2
unittest/force-styles/test_improper_style.cpp
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@ -283,7 +283,7 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
// run_stress // run_stress
stress = lmp->force->improper->virial; stress = lmp->force->improper->virial;
block = fmt::format("{:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e}", stress[0], block = fmt::format("{:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e} {:23.16e}", stress[0],
stress[1], stress[2], stress[3], stress[4], stress[5]); stress[1], stress[2], stress[3], stress[4], stress[5]);
writer.emit_block("run_stress", block); writer.emit_block("run_stress", block);
block.clear(); block.clear();

2
unittest/formats/test_atom_styles.cpp
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@ -2123,7 +2123,7 @@ TEST_F(AtomStyleTest, body_nparticle)
"12.0 0.0 12.0 0.0 0.0 0.0\n" "12.0 0.0 12.0 0.0 0.0 0.0\n"
"0.0 1.0 0.0\n" "0.0 1.0 0.0\n"
"0.0 -3.0 0.0\n"; "0.0 -3.0 0.0\n";
FILE *fp = fopen("input_atom_styles.data", "w"); FILE *fp = fopen("input_atom_styles.data", "w");
fputs(data_file, fp); fputs(data_file, fp);
fclose(fp); fclose(fp);
BEGIN_HIDE_OUTPUT(); BEGIN_HIDE_OUTPUT();

4
unittest/formats/test_dump_atom.cpp
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@ -547,12 +547,12 @@ TEST_F(DumpAtomTest, rerun_bin)
command(fmt::format("rerun {} first 1 last 1 every 1 post no dump x y z", dump_file)); command(fmt::format("rerun {} first 1 last 1 every 1 post no dump x y z", dump_file));
}); });
lmp->output->thermo->evaluate_keyword("pe", &pe_rerun); lmp->output->thermo->evaluate_keyword("pe", &pe_rerun);
ASSERT_NEAR(pe_1, pe_rerun,1.0e-14); ASSERT_NEAR(pe_1, pe_rerun, 1.0e-14);
HIDE_OUTPUT([&] { HIDE_OUTPUT([&] {
command(fmt::format("rerun {} first 2 last 2 every 1 post yes dump x y z", dump_file)); command(fmt::format("rerun {} first 2 last 2 every 1 post yes dump x y z", dump_file));
}); });
lmp->output->thermo->evaluate_keyword("pe", &pe_rerun); lmp->output->thermo->evaluate_keyword("pe", &pe_rerun);
ASSERT_NEAR(pe_2, pe_rerun,1.0e-14); ASSERT_NEAR(pe_2, pe_rerun, 1.0e-14);
delete_file(dump_file); delete_file(dump_file);
} }

6
unittest/formats/test_dump_custom.cpp
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@ -346,7 +346,7 @@ TEST_F(DumpCustomTest, rerun)
}); });
lmp->output->thermo->evaluate_keyword("pe", &pe_rerun); lmp->output->thermo->evaluate_keyword("pe", &pe_rerun);
ASSERT_DOUBLE_EQ(pe_1, pe_rerun); ASSERT_DOUBLE_EQ(pe_1, pe_rerun);
HIDE_OUTPUT([&] { HIDE_OUTPUT([&] {
command(fmt::format("rerun {} first 2 last 2 every 1 post yes dump x y z", dump_file)); command(fmt::format("rerun {} first 2 last 2 every 1 post yes dump x y z", dump_file));
}); });
@ -375,12 +375,12 @@ TEST_F(DumpCustomTest, rerun_bin)
command(fmt::format("rerun {} first 1 last 1 every 1 post no dump x y z", dump_file)); command(fmt::format("rerun {} first 1 last 1 every 1 post no dump x y z", dump_file));
}); });
lmp->output->thermo->evaluate_keyword("pe", &pe_rerun); lmp->output->thermo->evaluate_keyword("pe", &pe_rerun);
ASSERT_NEAR(pe_1, pe_rerun,1.0e-14); ASSERT_NEAR(pe_1, pe_rerun, 1.0e-14);
HIDE_OUTPUT([&] { HIDE_OUTPUT([&] {
command(fmt::format("rerun {} first 2 last 2 every 1 post yes dump x y z", dump_file)); command(fmt::format("rerun {} first 2 last 2 every 1 post yes dump x y z", dump_file));
}); });
lmp->output->thermo->evaluate_keyword("pe", &pe_rerun); lmp->output->thermo->evaluate_keyword("pe", &pe_rerun);
ASSERT_NEAR(pe_2, pe_rerun,1.0e-14); ASSERT_NEAR(pe_2, pe_rerun, 1.0e-14);
delete_file(dump_file); delete_file(dump_file);
} }

4
unittest/formats/test_file_operations.cpp
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@ -334,7 +334,9 @@ TEST_F(FileOperationsTest, write_restart)
ASSERT_FILE_EXISTS("multi2-0.restart"); ASSERT_FILE_EXISTS("multi2-0.restart");
ASSERT_FILE_EXISTS("multi3-base.restart"); ASSERT_FILE_EXISTS("multi3-base.restart");
ASSERT_FILE_EXISTS("multi3-0.restart"); ASSERT_FILE_EXISTS("multi3-0.restart");
if (info->has_package("MPIIO")) { ASSERT_FILE_EXISTS("test.restart.mpiio"); } if (info->has_package("MPIIO")) {
ASSERT_FILE_EXISTS("test.restart.mpiio");
}
if (!info->has_package("MPIIO")) { if (!info->has_package("MPIIO")) {
TEST_FAILURE(".*ERROR: Writing to MPI-IO filename when MPIIO package is not inst.*", TEST_FAILURE(".*ERROR: Writing to MPI-IO filename when MPIIO package is not inst.*",

21
unittest/formats/test_molecule_file.cpp
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@ -189,7 +189,7 @@ TEST_F(MoleculeFileTest, notype)
".*0 fragments.*\n.*1 atoms.*\n.*0 bonds.*")); ".*0 fragments.*\n.*1 atoms.*\n.*0 bonds.*"));
TEST_FAILURE(".*ERROR: Create_atoms molecule must have atom types.*", TEST_FAILURE(".*ERROR: Create_atoms molecule must have atom types.*",
command("create_atoms 0 single 0.0 0.0 0.0 mol notype 542465");); command("create_atoms 0 single 0.0 0.0 0.0 mol notype 542465"););
} }
TEST_F(MoleculeFileTest, extramass) TEST_F(MoleculeFileTest, extramass)
{ {
@ -197,12 +197,13 @@ TEST_F(MoleculeFileTest, extramass)
command("atom_style atomic"); command("atom_style atomic");
command("region box block 0 1 0 1 0 1"); command("region box block 0 1 0 1 0 1");
command("create_box 1 box"); command("create_box 1 box");
run_mol_cmd(test_name, "", "Comment\n1 atoms\n\n Coords\n\n 1 0.0 0.0 0.0\n" run_mol_cmd(test_name, "",
"Comment\n1 atoms\n\n Coords\n\n 1 0.0 0.0 0.0\n"
" Types\n\n 1 1\n Masses\n\n 1 1.0\n"); " Types\n\n 1 1\n Masses\n\n 1 1.0\n");
command("create_atoms 0 single 0.0 0.0 0.0 mol extramass 73546"); command("create_atoms 0 single 0.0 0.0 0.0 mol extramass 73546");
auto output = END_CAPTURE_OUTPUT(); auto output = END_CAPTURE_OUTPUT();
ASSERT_THAT(output, ContainsRegex(".*WARNING: Molecule attributes do not match " ASSERT_THAT(output, ContainsRegex(".*WARNING: Molecule attributes do not match "
"system attributes.*")); "system attributes.*"));
} }
TEST_F(MoleculeFileTest, twomols) TEST_F(MoleculeFileTest, twomols)
@ -222,12 +223,14 @@ TEST_F(MoleculeFileTest, twofiles)
BEGIN_CAPTURE_OUTPUT(); BEGIN_CAPTURE_OUTPUT();
command("molecule twomols moltest.h2o.mol moltest.co2.mol offset 2 1 1 0 0"); command("molecule twomols moltest.h2o.mol moltest.co2.mol offset 2 1 1 0 0");
auto output = END_CAPTURE_OUTPUT(); auto output = END_CAPTURE_OUTPUT();
ASSERT_THAT(output, ContainsRegex(".*Read molecule template twomols:.*\n.*1 molecules.*\n" ASSERT_THAT(
".*0 fragments.*\n.*3 atoms with max type 2.*\n.*2 bonds with max type 1.*\n" output,
".*1 angles with max type 1.*\n.*0 dihedrals.*\n.*0 impropers.*\n" ContainsRegex(".*Read molecule template twomols:.*\n.*1 molecules.*\n"
".*Read molecule template twomols:.*\n.*1 molecules.*\n" ".*0 fragments.*\n.*3 atoms with max type 2.*\n.*2 bonds with max type 1.*\n"
".*0 fragments.*\n.*3 atoms with max type 4.*\n.*2 bonds with max type 2.*\n" ".*1 angles with max type 1.*\n.*0 dihedrals.*\n.*0 impropers.*\n"
".*1 angles with max type 2.*\n.*0 dihedrals.*")); ".*Read molecule template twomols:.*\n.*1 molecules.*\n"
".*0 fragments.*\n.*3 atoms with max type 4.*\n.*2 bonds with max type 2.*\n"
".*1 angles with max type 2.*\n.*0 dihedrals.*"));
} }
TEST_F(MoleculeFileTest, bonds) TEST_F(MoleculeFileTest, bonds)

2
unittest/formats/test_text_file_reader.cpp
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@ -72,7 +72,7 @@ TEST_F(TextFileReaderTest, permissions)
{ {
platform::unlink("text_reader_noperms.file"); platform::unlink("text_reader_noperms.file");
FILE *fp = fopen("text_reader_noperms.file", "w"); FILE *fp = fopen("text_reader_noperms.file", "w");
ASSERT_NE(fp,nullptr); ASSERT_NE(fp, nullptr);
fputs("word\n", fp); fputs("word\n", fp);
fclose(fp); fclose(fp);
chmod("text_reader_noperms.file", 0); chmod("text_reader_noperms.file", 0);

2
unittest/python/test_python_package.cpp
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@ -43,9 +43,9 @@ bool verbose = false;
using LAMMPS_NS::utils::split_words; using LAMMPS_NS::utils::split_words;
namespace LAMMPS_NS { namespace LAMMPS_NS {
using ::testing::ContainsRegex;
using ::testing::Eq; using ::testing::Eq;
using ::testing::HasSubstr; using ::testing::HasSubstr;
using ::testing::ContainsRegex;
using ::testing::StrEq; using ::testing::StrEq;
class PythonPackageTest : public LAMMPSTest { class PythonPackageTest : public LAMMPSTest {

14
unittest/utils/test_math_eigen_impl.cpp
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@ -48,7 +48,7 @@ inline static bool SimilarVec(Vector a, Vector b, int n, Scalar eps = 1.0e-06,
Scalar ratio = 1.0e-06, Scalar ratio_denom = 1.0) Scalar ratio = 1.0e-06, Scalar ratio_denom = 1.0)
{ {
for (int i = 0; i < n; i++) for (int i = 0; i < n; i++)
if (! Similar(a[i], b[i], eps, ratio, ratio_denom)) return false; if (!Similar(a[i], b[i], eps, ratio, ratio_denom)) return false;
return true; return true;
} }
@ -61,7 +61,7 @@ inline static bool SimilarVecUnsigned(Vector a, Vector b, int n, Scalar eps = 1.
return true; return true;
else { else {
for (int i = 0; i < n; i++) for (int i = 0; i < n; i++)
if (! Similar(a[i], -b[i], eps, ratio, ratio_denom)) return false; if (!Similar(a[i], -b[i], eps, ratio, ratio_denom)) return false;
return true; return true;
} }
} }
@ -464,7 +464,7 @@ void TestJacobi(int n, //<! matrix size
Scalar const(*)[NF]>::SORT_INCREASING_ABS_EVALS); Scalar const(*)[NF]>::SORT_INCREASING_ABS_EVALS);
#else #else
ecalc.Diagonalize(M, evals, evecs, ecalc.Diagonalize(M, evals, evecs,
Jacobi<Scalar, Scalar *, Scalar **, Jacobi<Scalar, Scalar *, Scalar **,
Scalar const *const *>::SORT_INCREASING_ABS_EVALS); Scalar const *const *>::SORT_INCREASING_ABS_EVALS);
#endif #endif
@ -488,7 +488,7 @@ void TestJacobi(int n, //<! matrix size
Scalar const(*)[NF]>::SORT_DECREASING_ABS_EVALS); Scalar const(*)[NF]>::SORT_DECREASING_ABS_EVALS);
#else #else
ecalc.Diagonalize(M, evals, evecs, ecalc.Diagonalize(M, evals, evecs,
Jacobi<Scalar, Scalar *, Scalar **, Jacobi<Scalar, Scalar *, Scalar **,
Scalar const *const *>::SORT_DECREASING_ABS_EVALS); Scalar const *const *>::SORT_DECREASING_ABS_EVALS);
#endif #endif
@ -511,7 +511,7 @@ void TestJacobi(int n, //<! matrix size
Scalar const(*)[NF]>::SORT_INCREASING_EVALS); Scalar const(*)[NF]>::SORT_INCREASING_EVALS);
#else #else
ecalc.Diagonalize(M, evals, evecs, ecalc.Diagonalize(M, evals, evecs,
Jacobi<Scalar, Scalar *, Scalar **, Jacobi<Scalar, Scalar *, Scalar **,
Scalar const *const *>::SORT_INCREASING_EVALS); Scalar const *const *>::SORT_INCREASING_EVALS);
#endif #endif
for (int i = 1; i < n; i++) for (int i = 1; i < n; i++)
@ -533,8 +533,8 @@ void TestJacobi(int n, //<! matrix size
Jacobi<Scalar, Scalar *, Scalar(*)[NF], Scalar const(*)[NF]>::DO_NOT_SORT); Jacobi<Scalar, Scalar *, Scalar(*)[NF], Scalar const(*)[NF]>::DO_NOT_SORT);
#else #else
ecalc.Diagonalize( ecalc.Diagonalize(
M, evals, evecs, M, evals, evecs,
Jacobi<Scalar, Scalar *, Scalar **, Scalar const *const *>::DO_NOT_SORT); Jacobi<Scalar, Scalar *, Scalar **, Scalar const *const *>::DO_NOT_SORT);
#endif #endif
} // if (test_code_coverage) } // if (test_code_coverage)

4
unittest/utils/test_platform.cpp
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@ -68,10 +68,10 @@ TEST(Platform, putenv_unsetenv)
ASSERT_EQ(platform::unsetenv(""), -1); ASSERT_EQ(platform::unsetenv(""), -1);
ASSERT_EQ(platform::unsetenv("UNITTEST_VAR3=two"), -1); ASSERT_EQ(platform::unsetenv("UNITTEST_VAR3=two"), -1);
var = getenv("UNITTEST_VAR1"); var = getenv("UNITTEST_VAR1");
ASSERT_NE(var, nullptr); ASSERT_NE(var, nullptr);
ASSERT_EQ(platform::unsetenv("UNITTEST_VAR1"), 0); ASSERT_EQ(platform::unsetenv("UNITTEST_VAR1"), 0);
var = getenv("UNITTEST_VAR1"); var = getenv("UNITTEST_VAR1");
ASSERT_EQ(var, nullptr); ASSERT_EQ(var, nullptr);
} }

16
unittest/utils/test_utils.cpp
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@ -838,15 +838,15 @@ TEST(Utils, date2num)
TEST(Utils, current_date) TEST(Utils, current_date)
{ {
auto vals = ValueTokenizer(utils::current_date(),"-"); auto vals = ValueTokenizer(utils::current_date(), "-");
int year = vals.next_int(); int year = vals.next_int();
int month = vals.next_int(); int month = vals.next_int();
int day = vals.next_int(); int day = vals.next_int();
ASSERT_GT(year,2020); ASSERT_GT(year, 2020);
ASSERT_GE(month,1); ASSERT_GE(month, 1);
ASSERT_GE(day,1); ASSERT_GE(day, 1);
ASSERT_LE(month,12); ASSERT_LE(month, 12);
ASSERT_LE(day,31); ASSERT_LE(day, 31);
} }
TEST(Utils, binary_search) TEST(Utils, binary_search)