from diceplayer.config import PlayerConfig from diceplayer.environment import System from diceplayer.utils.potential import read_system_from_phb import pytest class TestPotential: @pytest.fixture def player_config(self) -> PlayerConfig: return PlayerConfig.model_validate( { "type": "both", "mem": 12, "max_cyc": 100, "switch_cyc": 50, "ncores": 4, "dice": { "nprocs": 4, "ljname": "phb.ljc.example", "outname": "test", "dens": 1.0, "nmol": [12, 16], "nstep": [1, 1], }, "gaussian": { "level": "test", "qmprog": "g16", "keywords": "test", }, } ) def test_read_phb(self, player_config: PlayerConfig): system = read_system_from_phb(player_config) assert isinstance(system, System)