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add utility function to get the units tag value from a potential file

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This commit is contained in:
Axel Kohlmeyer
2020-06-14 06:22:47 -04:00
parent d84b4a3fff
commit 0481184862
3 changed files with 53 additions and 9 deletions
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26
unittest/utils/test_utils.cpp
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@ -239,22 +239,34 @@ TEST(Utils, getsyserror) {
TEST(Utils, potential_file) {
FILE *fp;
fp = fopen("ctest.txt","w");
fp = fopen("ctest1.txt","w");
ASSERT_NE(fp,nullptr);
fputs("# DATE: 2020-02-20 CONTRIBUTOR: Nessuno\n",fp);
fputs("# DATE: 2020-02-20 CONTRIBUTOR: Nessuno UNITS: real\n",fp);
fclose(fp);
fp = fopen("ctest2.txt","w");
ASSERT_NE(fp,nullptr);
fputs("# CONTRIBUTOR: Pippo\n",fp);
fclose(fp);
EXPECT_TRUE(utils::file_is_readable("ctest.txt"));
EXPECT_FALSE(utils::file_is_readable("no_such_file.txt"));
ASSERT_TRUE(utils::file_is_readable("ctest1.txt"));
ASSERT_TRUE(utils::file_is_readable("ctest2.txt"));
ASSERT_FALSE(utils::file_is_readable("no_such_file.txt"));
ASSERT_THAT(utils::get_potential_file_path("ctest1.txt"),Eq("ctest1.txt"));
ASSERT_THAT(utils::get_potential_file_path("no_such_file.txt"),Eq(""));
EXPECT_THAT(utils::get_potential_file_path("ctest.txt"),Eq("ctest.txt"));
const char *folder = getenv("LAMMPS_POTENTIALS");
if (folder != nullptr) {
std::string path=utils::path_join(folder,"Cu_u3.eam");
EXPECT_THAT(utils::get_potential_file_path("Cu_u3.eam"),Eq(path));
EXPECT_THAT(utils::get_potential_units(path,"EAM"),Eq("metal"));
}
EXPECT_THAT(utils::get_potential_date("ctest.txt","Test"),Eq("2020-02-20"));
ASSERT_THAT(utils::get_potential_date("ctest1.txt","Test"),Eq("2020-02-20"));
ASSERT_THAT(utils::get_potential_units("ctest1.txt","Test"),Eq("real"));
ASSERT_THAT(utils::get_potential_date("ctest2.txt","Test"),Eq(""));
ASSERT_THAT(utils::get_potential_units("ctest2.txt","Test"),Eq(""));
remove("ctest.txt");
remove("ctest1.txt");
remove("ctest2.txt");
}