__init__(self,
molecule,
ny_up=0,
ny_low=0,
nline=0,
n_impact=0,
n_impact_extra=0,
abun_molec=1e-10,
abun_molec_rinner=1e-10,
abun_molec_re=1e-10,
rmax_molec=1.0,
itera=0,
lte_request=None,
use_collis_radiat_switch=0,
dust_to_gas_change_ml_sp=0,
use_no_maser_option=0,
use_maser_in_sphinx=1,
fehler=0.0001,
xdex=2.0,
n_freq=30,
start_approx=0,
use_fraction_level_corr=1,
fraction_level_corr=0.8,
number_level_max_corr=1e-12,
ratio_12c_to_13c=0,
ratio_16o_to_17o=0,
ratio_16o_to_18o=0,
opr=0,
r_outer=0,
outer_r_mode='MAMON',
abundance_filename=None,
change_fraction_filename=None,
set_keyword_change_abundance=0,
set_keyword_change_temperature=0,
enhance_abundance_factor=0,
new_temperature_filename=None,
linelist=0,
starfile='',
path_gastronoom=None)
(Constructor)
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Initiate a Molecule class, setting all values for the allowed
transition parameters to zero (by default).
- Parameters:
molecule (string) - shorthand name of the moleculeny_up (int) - number of levels in first vibration state v=1
(default: 0) ny_low (int) - number of levels in the ground vibration state v=0
(default: 0) nline (int) - number of allowed transitions in molecule
(default: 0) n_impact (int) - number of depth points in radius mesh
(default: 0) n_impact_extra (int) - number of depth points in radius_mesh (< n_impact) used for
variable mass-loss (0 if constant mdot)
(default: 0) itera (string) - number of iterations in mline for molecule, LTE approximation if
zero
(default: 0) abun_molec (float) - molecular abundance at the stellar radius. Default is arbitrary,
and used if molecule is co or h2o.
(default: 1.0e-10) abun_molec_rinner (float) - molecular abundance at inner shell radius. Default is arbitrary,
and used if molecule is co or h2o.
(default: 1.0e-10) abun_molec_re (float) - molecular abundance at rmax_molec. Default is arbitrary, and used
if molecule is co or h2o.
(default: 1.0e-10) rmax_molec (float) - The radius from which the Willacy abundance profiles are used.
They are rescaled to abun_molec_re. Default is arbitrary, and
used if molecule is co or h2o.
(default: 1.) use_collis_radiat_switch (bool) - in case of unstable mline, such as for para h2o sometimes
(default: 0) fehler (float) - convergence criterium in mline
(default: 1e-4) xdex (float) - Controls the distribution of the impact parameters in the
interval between R_STAR and R_OUTER.
(default: 2.) n_freq (int) - Number of frequency points in line profile
(default: 30) start_approx (bool) - set to 0 when one wants to start with LTE-approx as starting
n(NY,N_IMPACT); set to 1 when starting from another model - with
same NY, N_IMPACT, ...
(default: 0) use_fraction_level_corr (bool) - set to 1 if one wants to put a limit on the level-population
correction (BES3).
(default: 1) fraction_level_corr (float) - user-defined fraction for maximum change in level-population
correction; useful in case of H2O
(default: 0.8) number_level_max_corr (float) - user-defined level population. Only the level corrections for
levels with a higher level population will be used to determine
convergence criterion
(default: 1e-12) ratio_12c_to_13c (int) - 12c/13c ratio, only relevant for 13co and other molecules with
that isotope
(default: 0) ratio_16o_to_17o (int) - 16o/17o ratio, only relevant for h2_17o and other molecules with
that isotope
(default: 0) ratio_16o_to_18o (int) - 16o/18o ratio, only relevant for h2_18o and other molecules with
that isotope
(default: 0) opr (int) - ortho-to-para water ratio, only relevant for ph2o,
ph2_17o,ph2_18o and other molecules with para h2o
(default: 0) r_outer (float) - the outer radius of the shell for this molecule, 0 if MAMON
(default: 0) lte_request (bool) - using LTE in mline only (with or without collision rates:
determined by itera), if default lte_request is 0 if itera != 0
and 1 if itera ==0
(default: 0) outer_r_mode (string) - the mode used for calculating r_outer (FIXED or MAMON)
(default: 'MAMON') dust_to_gas_change_ml_sp (float) - if 0 not used, otherwise this is an alternative value for the
dust-to-gas ratio in mline/sphinx for this molecule and its
transitions.
(default: 0) abundance_filename (string) - if enhance_abundance_factor is not zero, this includes the
filename and/or path to the file that includes the profile.
(default: None) enhance_abundance_factor (float) - if 0 the Willacy abundance profiles are uses, if not zero the
abundance_filename is used and scaled with the factor given here.
THIS DOES NOT RESCALE ABUNDANCES BY WILLACY! Only used for
filename abundances, hence why this parameter also turns this
feature on/off
(default: 0) set_keyword_change_abundance (bool) - Change the abundance calculated in cooling by a radius dependent
factor
(default: 0) change_fraction_filename (string) - the filename of the enhancement factors if
set_keyword_change_abundance != 0
(default: None) set_keyword_change_temperature (bool) - Use a different temperature structure in mline and sphinx
(default: 0) new_temperature_filename (string) - the filename for the temperature structure if
set_keyword_change_temperature != 0
(default: None) use_no_maser_option (bool) - Do not allow masers (neg opacs) in mline RT by setting negative
line opacs to 1e-60 If use_maser_in_sphinx is on, mline will do a
final run including masers anyway to see what would happen if
they were inluded by allowing negative opacs for the line profile
calculations in sphinx (but not for the convergence in mline).
(default: 0) use_maser_in_sphinx (bool) - When on, does a final mline run including masers, allowing
negative opacities. When off, sets the masing line opacities to
1e-60 when writing out the ml3 file.
(default: 1) linelist (bool) - The molecule is created for the LineList module. No radiative
information is read from GASTRoNOoM input files.
(default: 0) starfile (str) - input filename for a stellar input spectrum (either user defined
or from a model atmosphere spectrum)
(default: '') path_gastronoom (string) - model output folder in the GASTRoNOoM home
(default: None)
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