add tests for new library APIs

This commit is contained in:
Axel Kohlmeyer
2024-01-24 04:47:59 -05:00
parent 7b210dd97e
commit 4a13fe68e0
4 changed files with 57 additions and 6 deletions

View File

@ -475,6 +475,26 @@ create_atoms 1 single &
a = self.lmp.extract_variable("a")
self.assertEqual(a, 3.14)
def test_extract_variable_stringstyle(self):
self.lmp.command("variable a string xxx")
a = self.lmp.extract_variable("a")
self.assertEqual(a, 'xxx')
rv = self.lmp.set_string_variable("a","20")
a = self.lmp.extract_variable("a")
self.assertEqual(a, '20')
self.assertEqual(rv, 0)
def test_extract_variable_internalstyle(self):
self.lmp.command("variable a internal 2.0")
a = self.lmp.extract_variable("a")
self.assertEqual(a, 2.0)
rv = self.lmp.set_internal_variable("a",-4.5)
a = self.lmp.extract_variable("a")
self.assertEqual(a, -4.5)
self.assertEqual(rv, 0)
def test_extract_variable_atomstyle(self):
self.lmp.command("units lj")
self.lmp.command("atom_style atomic")