tx258/lammps-gran-kokkos
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make unit test Windows compatible.

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This commit is contained in:
Axel Kohlmeyer
2022-09-06 23:32:38 -04:00
parent cfcd5a625d
commit f3acba28c7
1 changed files with 12 additions and 4 deletions
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16
unittest/formats/test_molecule_file.cpp
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@ -83,7 +83,8 @@ static void create_labelmap_files(const std::string &h2o_filename, const std::st
"Angles\n\n1 HO-OW-HO 2 1 3\n\n"
"Shake Flags\n\n1 1\n2 1\n3 1\n\n"
"Shake Atoms\n\n1 1 2 3\n2 1 2 3\n3 1 2 3\n\n"
"Shake Bond Types\n\n1 OW-HO OW-HO HO-OW-HO\n2 OW-HO OW-HO HO-OW-HO\n3 OW-HO OW-HO HO-OW-HO\n\n"
"Shake Bond Types\n\n1 OW-HO OW-HO HO-OW-HO\n2 OW-HO OW-HO HO-OW-HO\n3 "
"OW-HO OW-HO HO-OW-HO\n\n"
"Special Bond Counts\n\n1 2 0 0\n2 1 1 0\n3 1 1 0\n\n"
"Special Bonds\n\n1 2 3\n2 1 3\n3 1 2\n\n";
const char co2_file[] = "# CO2 molecule file. TraPPE model.\n\n"
@ -320,12 +321,19 @@ TEST_F(MoleculeFileTest, labelmap)
command("molecule h2onum moltest.h2o.mol");
command("molecule co2num moltest.co2.mol offset 2 1 1 0 0");
output = END_CAPTURE_OUTPUT();
auto mark = output.find("WARNING");
auto first = output.substr(0, mark);
mark = output.find("Read molecule", mark);
auto second = output.substr(mark);
ASSERT_THAT(
output,
first,
ContainsRegex(".*Read molecule template h2onum:.*\n.*1 molecules.*\n"
".*0 fragments.*\n.*3 atoms with max type 2.*\n.*2 bonds with max type 1.*\n"
".*1 angles with max type 1.*\n.*0 dihedrals.*\n.*0 impropers.*\n"
".*Read molecule template co2num:.*\n.*1 molecules.*\n"
".*1 angles with max type 1.*\n.*0 dihedrals.*\n.*0 impropers.*\n"));
ASSERT_THAT(
second,
ContainsRegex(".*Read molecule template co2num:.*\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.*"));
ASSERT_EQ(lmp->atom->nmolecule, 4);