jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Avoid filename collisions with AtomStyles test

This commit is contained in:
Richard Berger 2021-04-19 14:57:41 -04:00
parent 025489ec2c
commit bc4b4147ef
No known key found for this signature in database
GPG Key ID: A9E83994E0BA0CAB
1 changed files with 8 additions and 8 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

16
unittest/formats/test_molecule_file.cpp
View File

@ -60,18 +60,18 @@ static void create_molecule_files()
"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";
FILE *fp = fopen("tmp.h2o.mol", "w");
FILE *fp = fopen("tmp.moltest.h2o.mol", "w");
if (fp) {
fputs(h2o_file, fp);
fclose(fp);
}
rename("tmp.h2o.mol", "h2o.mol");
fp = fopen("tmp.co2.mol", "w");
rename("tmp.moltest.h2o.mol", "moltest.h2o.mol");
fp = fopen("tmp.moltest.co2.mol", "w");
if (fp) {
fputs(co2_file, fp);
fclose(fp);
}
rename("tmp.co2.mol", "co2.mol");
rename("tmp.moltest.co2.mol", "moltest.co2.mol");
}
// whether to print verbose output (i.e. not capturing LAMMPS screen output).
@ -92,13 +92,13 @@ protected:
void TearDown() override
{
LAMMPSTest::TearDown();
remove("h2o.mol");
remove("co2.mol");
remove("moltest.h2o.mol");
remove("moltest.co2.mol");
}
void run_mol_cmd(const std::string &name, const std::string &args, const std::string &content)
{
std::string file = name + ".mol";
std::string file = fmt::format("moltest_{}.mol", name);
FILE *fp = fopen(file.c_str(), "w");
fputs(content.c_str(), fp);
fclose(fp);
@ -195,7 +195,7 @@ TEST_F(MoleculeFileTest, twomols)
TEST_F(MoleculeFileTest, twofiles)
{
BEGIN_CAPTURE_OUTPUT();
command("molecule twomols h2o.mol 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();
ASSERT_THAT(output, MatchesRegex(".*Read molecule template twomols:.*1 molecules.*3 atoms "
"with max type 2.*2 bonds with max type 1.*"