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apply pylint and refactor accordingly

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This commit is contained in:
Axel Kohlmeyer
2025-06-18 06:47:08 -04:00
parent 40d88e9bda
commit 3f6dfa27bd
5 changed files with 877 additions and 260 deletions
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20
unittest/python/python-commands.py
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@ -122,7 +122,7 @@ create_atoms 1 single &
x = [ 1.0, 1.0, 1.0, 1.0, 1.0, 1.5 ]
types = [1, 1]
self.assertEqual(self.lmp.create_atoms(2, id=None, type=types, x=x), 2)
self.assertEqual(self.lmp.create_atoms(2, atomid=None, atype=types, x=x), 2)
nlocal = self.lmp.extract_global("nlocal")
self.assertEqual(nlocal, 2)
@ -167,7 +167,7 @@ create_atoms 1 single &
tags = [1, 2, 3, 4, 5, 6, 7]
types = [1, 1, 1, 1, 1, 1, 1]
self.assertEqual(self.lmp.create_atoms(7, id=tags, type=types, x=x), 7)
self.assertEqual(self.lmp.create_atoms(7, atomid=tags, atype=types, x=x), 7)
nlocal = self.lmp.extract_global("nlocal")
self.assertEqual(nlocal, 7)
@ -207,7 +207,7 @@ create_atoms 1 single &
tags = [1, 2, 3, 4, 5, 6, 7]
types = [1, 1, 1, 1, 1, 1, 1]
self.assertEqual(self.lmp.create_atoms(7, id=tags, type=types, x=x), 7)
self.assertEqual(self.lmp.create_atoms(7, atomid=tags, atype=types, x=x), 7)
nlocal = self.lmp.extract_global("nlocal")
self.assertEqual(nlocal, 7)
@ -237,7 +237,7 @@ create_atoms 1 single &
tags = [1, 2, 3, 4, 5, 6, 7]
types = [1, 1, 1, 1, 1, 1, 1]
self.assertEqual(self.lmp.create_atoms(7, id=tags, type=types, x=x), 7)
self.assertEqual(self.lmp.create_atoms(7, atomid=tags, atype=types, x=x), 7)
nlocal = self.lmp.extract_global("nlocal")
self.assertEqual(nlocal, 7)
@ -276,7 +276,7 @@ create_atoms 1 single &
tags = [1, 2, 3, 4, 5, 6, 7]
types = [1, 1, 1, 1, 1, 1, 1]
self.assertEqual(self.lmp.create_atoms(7, id=tags, type=types, x=x), 7)
self.assertEqual(self.lmp.create_atoms(7, atomid=tags, atype=types, x=x), 7)
nlocal = self.lmp.extract_global("nlocal")
self.assertEqual(nlocal, 7)
@ -310,7 +310,7 @@ create_atoms 1 single &
tags = [1, 2, 3, 4, 5, 6, 7]
types = [1, 1, 1, 1, 2, 2, 2]
self.assertEqual(self.lmp.create_atoms(7, id=tags, type=types, x=x), 7)
self.assertEqual(self.lmp.create_atoms(7, atomid=tags, atype=types, x=x), 7)
nlocal = self.lmp.extract_global("nlocal")
self.assertEqual(nlocal, 7)
@ -378,7 +378,7 @@ create_atoms 1 single &
tags = [1, 2, 3, 4, 5, 6, 7]
types = [1, 1, 1, 1, 1, 1, 1]
self.assertEqual(self.lmp.create_atoms(7, id=tags, type=types, x=x), 7)
self.assertEqual(self.lmp.create_atoms(7, atomid=tags, atype=types, x=x), 7)
nlocal = self.lmp.extract_global("nlocal")
self.assertEqual(nlocal, 7)
@ -522,7 +522,7 @@ create_atoms 1 single &
types = [1, 1]
self.assertEqual(self.lmp.create_atoms(2, id=None, type=types, x=x), 2)
self.assertEqual(self.lmp.create_atoms(2, atomid=None, atype=types, x=x), 2)
self.lmp.command("variable a atom x*x+y*y+z*z")
a = self.lmp.extract_variable("a", "all", LMP_VAR_ATOM)
self.assertEqual(a[0], x[0]*x[0]+x[1]*x[1]+x[2]*x[2])
@ -573,7 +573,7 @@ create_atoms 1 single &
]
types = [1, 1]
self.lmp.create_atoms(2, id=None, type=types, x=x)
self.lmp.create_atoms(2, atomid=None, atype=types, x=x)
state = {
"step": 0,
@ -611,7 +611,7 @@ create_atoms 1 single &
1.5, 1.5, 1.5
]
types = [1, 1]
self.lmp.create_atoms(2, id=None, type=types, x=x)
self.lmp.create_atoms(2, atomid=None, atype=types, x=x)
self.assertEqual(self.lmp.last_thermo(), None)
self.lmp.command("run 2 post no")