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add tests for library interface and python

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This commit is contained in:
Axel Kohlmeyer
2024-09-20 03:57:12 -04:00
parent e35a00258e
commit 958f2ae58b
2 changed files with 30 additions and 0 deletions
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10
unittest/python/python-commands.py
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@ -528,6 +528,16 @@ create_atoms 1 single &
self.assertEqual(a[0], x[0]*x[0]+x[1]*x[1]+x[2]*x[2])
self.assertEqual(a[1], x[3]*x[3]+x[4]*x[4]+x[5]*x[5])
def test_expand(self):
self.lmp.command("variable one index 1 2 3 4");
self.lmp.command("variable two equal 2");
self.lmp.command("variable three string three");
expanded = self.lmp.expand("xx_$(4+5)_$(PI) ${one}-${two}-${three}")
self.assertEqual(expanded, "xx_9_3.141592653589793116 1-2-three")
expanded = self.lmp.expand("'xx_$(4+5)_$(PI) ${one}-${two}-${three}'")
self.assertEqual(expanded, "'xx_$(4+5)_$(PI) ${one}-${two}-${three}'")
def test_get_thermo(self):
self.lmp.command("units lj")
self.lmp.command("atom_style atomic")