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