"""Moule domain_params of viperleed.calc.classes.rparams.
Defines the DomainParameters class. Contains of information useful
when a calculation with multiple structural domains is carried out.
This module was originally (2019-06-13) part of the rparams.py module,
refactored by Michele Riva in Oct 2023.
"""
__authors__ = (
'Florian Kraushofer (@fkraushofer)',
)
__copyright__ = '2019-2024 ViPErLEED team'
__created__ = '2023-10-23'
__license__ = 'GPLv3+'
from pathlib import Path
[docs]class DomainParameters:
"""Stores workdir, slab and Rparams objects for each domain"""
[docs] def __init__(self, workdir, homedir, name):
self.workdir = Path(workdir) # path to sub-directory for domain calculation
self.homedir = Path(homedir) # path to main calc directory
self.name = name # domain name as defined by user
self.sl = None
self.rp = None
self.refcalcRequired = False
self.tensorDir = None