ICODE-ADC/lammps
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simplify and apply clang-format

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This commit is contained in:
Axel Kohlmeyer
2021-03-24 11:24:55 -04:00
parent b6a030532d
commit 487c55edf0
21 changed files with 983 additions and 1016 deletions
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21
unittest/formats/test_molecule_file.cpp
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@ -131,19 +131,20 @@ protected:
lmp->input->one(fmt::format("molecule {} {} {}", name, file, args));
remove(file.c_str());
}
void command(const std::string &cmd) { lmp->input->one(cmd); }
};
TEST_F(MoleculeFileTest, nofile)
{
TEST_FAILURE(".*Cannot open molecule file nofile.mol.*",
lmp->input->one("molecule 1 nofile.mol"););
TEST_FAILURE(".*Cannot open molecule file nofile.mol.*", command("molecule 1 nofile.mol"););
}
TEST_F(MoleculeFileTest, badid)
{
TEST_FAILURE(".*Molecule template ID must have only "
"alphanumeric or underscore characters.*",
lmp->input->one("molecule @mol nofile.mol"););
command("molecule @mol nofile.mol"););
}
TEST_F(MoleculeFileTest, badargs)
@ -223,7 +224,7 @@ TEST_F(MoleculeFileTest, twomols)
TEST_F(MoleculeFileTest, twofiles)
{
::testing::internal::CaptureStdout();
lmp->input->one("molecule twomols h2o.mol co2.mol offset 2 1 1 0 0");
command("molecule twomols h2o.mol co2.mol offset 2 1 1 0 0");
auto output = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << output;
ASSERT_THAT(output, MatchesRegex(".*Read molecule template twomols:.*1 molecules.*3 atoms "
@ -237,10 +238,10 @@ TEST_F(MoleculeFileTest, twofiles)
TEST_F(MoleculeFileTest, bonds)
{
::testing::internal::CaptureStdout();
lmp->input->one("atom_style bond");
lmp->input->one("region box block 0 1 0 1 0 1");
lmp->input->one("create_box 2 box bond/types 2 extra/bond/per/atom 2 "
"extra/special/per/atom 4");
command("atom_style bond");
command("region box block 0 1 0 1 0 1");
command("create_box 2 box bond/types 2 extra/bond/per/atom 2 "
"extra/special/per/atom 4");
run_mol_cmd(test_name, "",
"Comment\n"
"4 atoms\n"
@ -264,8 +265,8 @@ TEST_F(MoleculeFileTest, bonds)
"2 bonds.*type.*2.*0 angles.*"));
::testing::internal::CaptureStdout();
lmp->input->one("mass * 2.0");
lmp->input->one("create_atoms 0 single 0.5 0.5 0.5 mol bonds 67235");
command("mass * 2.0");
command("create_atoms 0 single 0.5 0.5 0.5 mol bonds 67235");
output = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << output;
ASSERT_THAT(output, MatchesRegex(".*Created 4 atoms.*"));