refactor: update Python version and optimize dice configuration parameters
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@@ -1,11 +1,8 @@
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from diceplayer.config import PlayerConfig
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from diceplayer.environment import System, Molecule, Atom
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from diceplayer.environment import Atom, Molecule, System
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from pathlib import Path
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from diceplayer.logger import logger
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from diceplayer.state.state_model import StateModel
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def read_system_from_phb(config: PlayerConfig) -> System:
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phb_file = Path(config.dice.ljname)
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@@ -41,9 +38,7 @@ def read_system_from_phb(config: PlayerConfig) -> System:
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for j in range(nsites):
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_fields = ljc_data.pop(0).split()
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mol.add_atom(
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Atom(*_fields)
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)
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mol.add_atom(Atom(*_fields))
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sys.add_type(mol)
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@@ -58,5 +53,3 @@ def read_system_from_phb(config: PlayerConfig) -> System:
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# f.write(f"{state.config.dice.combrule}\n")
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# f.write(f"{len(state.system.nmols)}\n")
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# f.write(f"{state.config.dice.nmol}\n")
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