From 1bce520ae0988d1e1d6fdc59396370c7f93c80f7 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 3 Mar 2025 23:11:35 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- flowermd/tests/library/test_systems.py | 15 +++++++-------- 1 file changed, 7 insertions(+), 8 deletions(-) diff --git a/flowermd/tests/library/test_systems.py b/flowermd/tests/library/test_systems.py index 4fd36af9..cba0048b 100644 --- a/flowermd/tests/library/test_systems.py +++ b/flowermd/tests/library/test_systems.py @@ -13,7 +13,6 @@ ) from flowermd.tests import BaseTest - Class TestSystems(BaseTest): ''' #test long chain,short chain,AA @@ -26,17 +25,17 @@ def test_single_chain(self, polyethylene): r_cut=2.5, force_field=[OPLS_AA()], auto_scale=True ) - + polyethylene_long = polyethylene(lengths=150, num_mols=1) long_system = SingleChainSystem( molecules=[polyethylene] ) long_system.apply_forcefield( r_cut=2.5, force_field=[OPLS_AA()], auto_scale=True - ) - + ) + #add assert for success in system being built - + #test CG chain def test_single_chain_cg(self, polyethylene): cg_chain = LJChain(lengths=15, num_mols=1) @@ -45,13 +44,13 @@ def test_single_chain_cg(self, polyethylene): ) system.apply_forcefield( r_cut=2.5, force_field=[OPLS_AA()], auto_scale=True - ) + ) assert system.n_mol_types == 1 assert len(system.all_molecules) == len(polyethylene.molecules) assert len(system.hoomd_forcefield) > 0 assert system.n_particles == system.hoomd_snapshot.particles.N - + #test buffer <= 1.0 breaks def test_single_chain_buffer(self): cg_chain = LJChain(lengths=15, num_mols=1) @@ -59,7 +58,7 @@ def test_single_chain_buffer(self): molecules=[cg_chain], buffer=0.8 ) #add assert for break - + #test num_mols > 1 breaks def test_single_chain_mols(self): cg_chain = LJChain(lengths=15, num_mols=3)