forked from lanl/PyFEHM
/
fdflt.py
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/
fdflt.py
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"""Environment file for PyFEHM. Set default attribute values."""
"""
Copyright 2013.
Los Alamos National Security, LLC.
This material was produced under U.S. Government contract DE-AC52-06NA25396 for
Los Alamos National Laboratory (LANL), which is operated by Los Alamos National
Security, LLC for the U.S. Department of Energy. The U.S. Government has rights
to use, reproduce, and distribute this software. NEITHER THE GOVERNMENT NOR LOS
ALAMOS NATIONAL SECURITY, LLC MAKES ANY WARRANTY, EXPRESS OR IMPLIED, OR ASSUMES
ANY LIABILITY FOR THE USE OF THIS SOFTWARE. If software is modified to produce
derivative works, such modified software should be clearly marked, so as not to
confuse it with the version available from LANL.
Additionally, this library is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by the
Free Software Foundation; either version 2.1 of the License, or (at your option)
any later version. Accordingly, this library is distributed in the hope that it
will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General
Public License for more details.
"""
import os,platform,pkgutil
from types import *
floatKeys = ['linear_converge_NRmult_G1','quadratic_converge_NRmult_G2','stop_criteria_NRmult_G3',
'machine_tolerance_TMCH','overrelaxation_factor_OVERF','newton_cycle_tolerance_EPM',
'upstream_weighting_UPWGT','timestep_multiplier_AIAA','min_timestep_DAYMIN','max_timestep_DAYMAX',
'initial_timestep_DAY','max_time_TIMS','initial_year_YEAR','initial_month_MONTH','initial_day_INITTIME',
'init_solute_conc_ANO','implicit_factor_AWC','tolerance_EPC','upstream_weight_UPWGTA','solute_start_DAYCS',
'solute_end_DAYCF','flow_end_DAYHF','flow_start_DAYHS','max_iterations_IACCMX','timestep_multiplier_DAYCM',
'initial_timestep_DAYCMM','max_timestep_DAYCMX','print_interval_NPRTTRC','alpha1_A1ADSF',
'alpha2_A2ADSF','beta_BETADF']
intKeys = ['reduced_dof_IRDOF','reordering_param_ISLORD','IRDOF_param_IBACK','number_SOR_iterations_ICOUPL',
'max_machine_time_RNMAX','max_newton_iterations_MAXIT','number_orthogonalizations_NORTH',
'max_solver_iterations_MAXSOLVE','JA','JB','JC','order_gauss_elim_NAR', 'max_multiply_iterations_IAMM',
'implicitness_factor_AAW','gravity_direction_AGRAV','geometry_ICNL','stor_file_LDA','max_timestep_NSTEP',
'print_interval_IPRTOUT','coupling_NTT','element_integration_INTG','type_IADSF']
boolKeys = ['silent']
strKeys = ['acceleration_method_ACCM']
class fdflt(object):
def __init__(self):
# material properties - these values will be assigned as defaults if not otherwise set
self.permeability = 1.e-15
self.conductivity = 2.2
self.density = 2500.
self.porosity = 0.1
self.specific_heat = 1.e3
self.youngs_modulus = 1.e4 # MPa
self.poissons_ratio = 0.25
self.pressure_coupling = 1.
self.thermal_expansion = 3.e-5 # / K
# initial conditions
self.Pi = 1. # pressure
self.Ti = 30. # temperature
self.Si = 1. # saturation
# output data formats
self.hist_format = 'tec'
self.cont_format = 'surf'
self.parental_cont = True
# set this to the fehm executable to be used if no default assigned
self.fehm_path = 'c:\\path\\to\\fehm\\fehm.exe'
if os.name != 'posix':
self.paraview_path = 'paraview.exe'
else:
self.paraview_path = 'paraview'
if os.name != 'posix':
self.visit_path = 'visit.exe'
else:
self.visit_path = 'visit'
self.lagrit_path = 'c:\\path\\to\\lagrit\\lagrit.exe'
self.files = ['outp','hist','check']
self.co2_interp_path = 'c:\\path\\to\\co2\\co2_interp_table.txt'
self.co2_interp_path_2 = '/alternate/path/to/co2/co2_interp_table.txt'
if not os.path.isfile(self.co2_interp_path):
self.co2_interp_path = self.co2_interp_path_2
# fdata booleans
self.associate = True # associate macro, zone information with nodes
self.sticky_zones = True # print zone definitions immediately before use in input file
self.full_connectivity = True
self.sleep_time = 1.
self.keep_unknown = True # set true if PyFEHM should preserve unknown macros in future output files
self.silent = False # turns off all PyFEHM verbiage
# default values for mactro ITER (parameters controlling solver)
self.iter = {
'linear_converge_NRmult_G1':1.e-5, # convergence criteria
'quadratic_converge_NRmult_G2':1.e-5,
'stop_criteria_NRmult_G3':1.e-3,
'machine_tolerance_TMCH':-1.e-5,
'overrelaxation_factor_OVERF':1.1,
'reduced_dof_IRDOF':0,
'reordering_param_ISLORD':0,
'IRDOF_param_IBACK':0,
'number_SOR_iterations_ICOUPL':0,
'max_machine_time_RNMAX':3600, # number of minutes at which FEHM will cut a simulation
}
# default values for macro CTRL (parameters controlling simulation)
self.ctrl = {
'max_newton_iterations_MAXIT':10, # solver parameters
'newton_cycle_tolerance_EPM':1.e-5, # solver parameters
'number_orthogonalizations_NORTH':8, # solver parameters
'max_solver_iterations_MAXSOLVE':24,
'acceleration_method_ACCM':'gmre',
'JA':1,'JB':0,'JC':0,
'order_gauss_elim_NAR':2,
'implicitness_factor_AAW':1,
'gravity_direction_AGRAV':3, # direction of gravity
'upstream_weighting_UPWGT':1.0,
'max_multiply_iterations_IAMM':7,
'timestep_multiplier_AIAA':1.5, # acceleration, time step multiplier
'min_timestep_DAYMIN':1.e-5, # minimum allowable time step (days)
'max_timestep_DAYMAX':30., # maximum allowable time step (days)
'geometry_ICNL':0, # problem geometry (0 = 3-D)
'stor_file_LDA':0 # flag to use stor file
}
# default values for macro TIME
self.time = {
'initial_timestep_DAY':1., # initial time step size (days)
'max_time_TIMS':365., # maximum simulation time (days)
'max_timestep_NSTEP':200, # maximum number of time steps
'print_interval_IPRTOUT':1, # for printing information to screen
'initial_year_YEAR':None, # initial simulation time (years)
'initial_month_MONTH':None, # (months)
'initial_day_INITTIME':None # (years)
}
# default values for macro SOL
self.sol = {
'coupling_NTT':1,
'element_integration_INTG':-1
}
# default values for macro TRAC
self.trac = {
'init_solute_conc_ANO':0.,
'implicit_factor_AWC':1.,
'tolerance_EPC':1.e-7,
'upstream_weight_UPWGTA':0.5,
'solute_start_DAYCS':1.,
'solute_end_DAYCF':2.,
'flow_end_DAYHF':1.,
'flow_start_DAYHS':2.,
'max_iterations_IACCMX':50,
'timestep_multiplier_DAYCM':1.2,
'initial_timestep_DAYCMM':1.,
'max_timestep_DAYCMX':1000.,
'print_interval_NPRTTRC':1.
}
self.adsorption = {
'type_IADSF':None,
'alpha1_A1ADSF':None,
'alpha2_A2ADSF':None,
'beta_BETADF':None
}
# check to see if rc file exist, update defaults
self._check_rc()
def _check_rc(self):
# check if pyfehmrc file exists
rc_lib = pkgutil.get_loader('fdflt').path.split(os.sep)
rc_lib1 = os.sep.join(rc_lib[:-1])+os.sep+'.pyfehmrc'
rc_lib2 = os.sep.join(rc_lib[:-1])+os.sep+'pyfehmrc'
rc_home1 = os.path.expanduser('~')+os.sep+'.pyfehmrc'
rc_home2 = os.path.expanduser('~')+os.sep+'pyfehmrc'
rc_cur1 = os.path.expanduser('.')+os.sep+'.pyfehmrc'
rc_cur2 = os.path.expanduser('.')+os.sep+'pyfehmrc'
if os.path.isfile(rc_cur1): fp = open(rc_cur1)
elif os.path.isfile(rc_cur2): fp = open(rc_cur2)
elif os.path.isfile(rc_home1): fp = open(rc_home1)
elif os.path.isfile(rc_home2): fp = open(rc_home2)
elif os.path.isfile(rc_lib1): fp = open(rc_lib1)
elif os.path.isfile(rc_lib2): fp = open(rc_lib2)
else: return
lns = fp.readlines()
for ln in lns:
ln = ln.split('#')[0] # strip off the comment
if ln.startswith('#'): continue
elif ln.strip() == '': continue
elif '&' in ln:
if len(ln.split('&')) == 2:
self._update_attribute(ln)
elif len(ln.split('&')) == 3:
self._update_dict(ln)
else:
print('WARNING: unrecognized .pyfehmrc line \''+ln.strip()+'\'')
else:
print('WARNING: unrecognized .pyfehmrc line \''+ln.strip()+'\'')
def _update_attribute(self,ln):
name,value = ln.split('&')
name,value = name.strip(), value.strip()
attributelist = list(self.__dict__.keys())
if name not in attributelist:
print('ERROR: no attribute \''+name+'\''); return
if isinstance(self.__dict__[name],dict):
print('ERROR: \''+name+'\' a dictionary. To set a dictionary value supply the dictionary key in format:')
print('dict_name : dict_key : value')
return
# translate None string
if value in ['','None','none']: value = None
if isinstance(self.__dict__[name], bool):
if value in ['True','1','1.']:
self.__setattr__(name,True)
elif value in ['False','0.','0'] or value == None:
self.__setattr__(name,False)
else:
print('ERROR: unrecognized boolean type \''+value+'\''); return
elif isinstance(self.__dict__[name], int):
if value is not None: self.__setattr__(name,int(float(value)))
else: self.__setattr__(name,None)
elif isinstance(self.__dict__[name], float):
if value is not None: self.__setattr__(name,float(value))
else: self.__setattr__(name,None)
elif isinstance(self.__dict__[name], str):
if value is not None: self.__setattr__(name,value)
else: self.__setattr__(name,None)
elif isinstance(self.__dict__[name], None):
if value is not None: self.__setattr__(name,value)
else: self.__setattr__(name,None)
def _update_dict(self,ln):
name,key,value = ln.split('&')
name,key,value = name.strip(), key.strip(), value.strip()
dictlist = [k for k in list(self.__dict__.keys()) if type(self.__dict__[k]) is dict]
if name not in dictlist:
print('ERROR: no dictionary \''+name+'\''); return
keys = list(self.__dict__[name].keys())
if key not in keys:
print('ERROR: no such key \''+key+'\' in dictionary \''+name+'\''); return
# translate None string
if value in ['','None','none']: value = None
if isinstance(self.__dict__[name][key], int):
if value is not None: self.__dict__[name].__setitem__(key,int(float(value)))
else: self.__setattr__(name,None)
elif isinstance(self.__dict__[name][key], float):
if value is not None: self.__dict__[name].__setitem__(key,float(value))
else: self.__setattr__(name,None)
elif isinstance(self.__dict__[name][key], str):
if value is not None: self.__dict__[name].__setitem__(key,value)
else: self.__setattr__(name,None)
elif isinstance(self.__dict__[name][key], None):
if key in strKeys:
if value is not None: self.__dict__[name].__setitem__(key,value)
else: self.__dict__[name].__setitem__(key,None)
elif key in intKeys:
if value is not None: self.__dict__[name].__setitem__(key,int(float(value)))
else: self.__dict__[name].__setitem__(key,None)
elif key in floatKeys:
if value is not None: self.__dict__[name].__setitem__(key,float(value))
else: self.__dict__[name].__setitem__(key,None)
elif key in boolKeys:
if value in ['True','1','1.']:
self.__dict__[name].__setitem__(key,True)
elif value in ['False','0.','0'] or value == None:
self.__dict__[name].__setitem__(key,False)
else: self.__setattr__(name,None)
elif isinstance(self.__dict__[name][key], bool):
if value in ['True','1','1.']:
self.__dict__[name].__setitem__(key,True)
elif value in ['False','0.','0'] or value == None:
self.__dict__[name].__setitem__(key,False)
else:
print('ERROR: unrecognized boolean type \''+value+'\''); return