def test_valdfile():
"""Test class to read a VALD line data file."""
testdir = dirname(__file__)
linelist = ValdFile(join(testdir, "testcase1.lin"))
assert len(linelist) == 44
assert linelist.lineformat == "short"
assert linelist.medium == "air"
assert linelist[0].species == "V 1"
with pytest.raises(IOError):
ValdFile(join(testdir, "testcase1.npy"))
def test_medium():
"""Test class to read a VALD line data file.
"""
testdir = dirname(__file__)
vf = ValdFile(join(testdir, "testcase1.lin"), medium="vac")
assert vf.medium == "vac"
def main(fname_in, fname_out, linelist_format="VALD", log_file=None):
if log_file is not None:
start_logging(log_file)
if linelist_format.lower() == "vald":
linelist = ValdFile(fname_in)
else:
raise ValueError(
f"Unrecognised linelist format f{linelist_format}. Expected one of ['VALD']"
)
data = linelist._lines.to_dict(orient="records")
result = {
"info": {
"format": linelist.lineformat,
"medium": linelist.medium,
"citation_info": linelist.citation_info,
},
"data": data,
}
with open(fname_out, "w") as f:
json.dump(result, f)
return result
def create_first_guess(
self,
spectrum,
star,
blaze,
linelist,
detector,
uncs=None,
):
print("Extracting stellar parameters...")
# Create SME structure
print("Preparing PySME structure")
sme = SME_Structure()
sme.wave = [wave.to_value(u.AA) for wave in spectrum.wavelength]
sme.spec = [spec.to_value(1) for spec in spectrum.flux]
if spectrum.uncertainty is not None:
sme.uncs = [
unc.array * unc.unit.to(1) for unc in spectrum.uncertainty
]
sme.teff = star.teff.to_value(u.K)
sme.logg = star.logg.to_value(1)
sme.monh = star.monh.to_value(1)
sme.vturb = star.vturb.to_value(u.km / u.s)
sme.abund = "solar"
sme.linelist = ValdFile(linelist)
sme.atmo.source = "marcs"
sme.atmo.method = "grid"
nlte = None
if nlte is not None:
for elem, grid in nlte.items():
sme.nlte.set_nlte(elem, grid)
sme.cscale_flag = "none"
sme.normalize_by_continuum = True
sme.vrad_flag = "fix"
sme.vrad = star.radial_velocity.to_value("km/s")
if detector is not None:
sme.iptype = "gauss"
sme.ipres = detector.resolution
# Create an initial spectrum using the nominal values
# This also determines the radial velocity
print(
"Determine the radial velocity using the nominal stellar parameters"
)
synthesizer = Synthesizer()
sme = synthesizer.synthesize_spectrum(sme)
return sme
def make_minimum_structure():
sme = SME_Struct()
sme.teff = 5000
sme.logg = 4.4
sme.vmic = 1
sme.vmac = 1
sme.vsini = 1
sme.abund = Abund.solar()
sme.linelist = ValdFile("{}/testcase3.lin".format((cwd)))
sme.atmo.source = "marcs2012p_t2.0.sav"
sme.atmo.method = "grid"
sme.wran = [[6436, 6444]]
return sme
def test_short_format():
linelist = ValdFile(join(dirname(__file__), "testcase1.lin"))
assert linelist.lineformat == "short"
assert len(linelist) == 44
assert linelist.atomic is not None
assert linelist.species is not None
with pytest.raises(AttributeError):
_ = linelist.lulande
with pytest.raises(AttributeError):
_ = linelist.extra
assert isinstance(linelist.abund, Abund)
assert isinstance(linelist.atmo, str)
def test_long_format():
linelist = ValdFile(join(dirname(__file__), "testcase3.lin"))
assert linelist.lineformat == "long"
assert len(linelist) == 67
assert linelist.atomic is not None
assert linelist.species is not None
assert linelist.lulande is not None
assert linelist.extra is not None
assert linelist.reference is not None
assert linelist.error is not None
assert linelist.term_lower is not None
assert linelist.term_upper is not None
assert isinstance(linelist.abund, Abund)
assert isinstance(linelist.atmo, str)
def sme_2segments():
cwd = dirname(__file__)
sme = SME_Struct()
sme.teff = 5000
sme.logg = 4.4
sme.vmic = 1
sme.vmac = 1
sme.vsini = 1
sme.abund = Abund(monh=0, pattern="asplund2009")
sme.linelist = ValdFile("{}/testcase1.lin".format((cwd)))
sme.atmo.source = "marcs2012p_t2.0.sav"
sme.atmo.method = "grid"
sme.wran = [[6550, 6560], [6560, 6574]]
sme.vrad_flag = "none"
sme.cscale_flag = "none"
return sme
def create_sme_structure(teff=5770, logg=4.4):
examples_dir = os.path.dirname(os.path.realpath(__file__))
in_file = os.path.join(examples_dir, "sun_6440_grid.inp")
# Load your existing SME structure or create your own
sme = SME.SME_Structure.load(in_file)
sme.abund = Abund(0.05, "asplund2009")
sme.linelist = ValdFile(os.path.join(examples_dir, "sun.lin"))
# Change parameters if your want
sme.vrad_flag = "none"
sme.cscale_flag = "none"
sme.cscale_type = "mask"
sme.vsini = 0
sme.vrad = 0
# Set input parameters
sme.teff = teff
sme.logg = logg
# Start SME solver
sme = synthesize_spectrum(sme)
return sme
def synthesize(self, wrange, mu=None, intensities=False):
sme = SME_Structure()
# TODO other stellar parameters
sme.teff = self.star.teff.to_value(u.K)
sme.logg = self.star.logg.value
sme.monh = self.star.monh
sme.vturb = self.star.vturb.to_value(u.km / u.s)
if mu is not None:
sme.mu = mu
sme.abund = self.abund
sme.linelist = ValdFile(self.linelist)
sme.atmo.source = self.atmosphere
sme.atmo.method = "grid"
if self.nlte is not None:
for elem, grid in self.nlte.items():
sme.nlte.set_nlte(elem, grid)
sme.wran = [[wr.lower.to_value(u.AA),
wr.upper.to_value(u.AA)] for wr in wrange]
sme.cscale_flag = "none"
sme.normalize_by_continuum = self.normalize
sme.vrad_flag = "none"
synthesizer = Synthesizer()
if not intensities:
sme = synthesizer.synthesize_spectrum(sme)
wave, spec = sme.wave, sme.synth
else:
sme.specific_intensities_only = True
wave, spec, cont = synthesizer.synthesize_spectrum(sme)
wave = [w << u.AA for w in wave]
if self.normalize:
spec = [s << u.one for s in spec]
else:
spec = [s << flux_units for s in spec]
return wave, spec, sme.citation("bibtex")
# this will put everything into the example dir
target = "sun"
examples_dir = join(dirname(realpath(__file__)), "..")
in_file = join(examples_dir, "sun_6440_test.inp")
out_file = join(examples_dir, f"{target}.sme")
plot_file = join(examples_dir, f"{target}.html")
log_file = join(examples_dir, f"{target}.log")
# Start the logging to the file
util.start_logging(log_file)
# Load your existing SME structure or create your own
sme = SME.SME_Structure.load(in_file)
sme.abund = Abund(0, "asplund2009")
sme.linelist = ValdFile(join(examples_dir, "sun.lin"))
sme.nmu = 7
sme.vrad = 0
sme.cscale = None
sme.vrad_flag = "none"
sme.cscale_flag = "none"
sme.cscale_type = "match"
sme.atmo.source = "marcs2012.sav"
# save_as_idl(sme, "speedtest.inp")
# Run it once to load the atmosphere
start = time.time()
sme = synthesize_spectrum(sme)
end = time.time()
runtime = end - start
# Get input files
if len(sys.argv) > 1:
in_file, vald_file, fitparameters = util.parse_args()
else:
examples_dir = "/DATA/ESO/HARPS/K2-3/"
in_file = os.path.join(examples_dir, "K2-3_red_c.ech")
vald_file = os.path.expanduser("~/Documents/IDL/SME/harps_red.lin")
atmo_file = "marcs2012p_t1.0.sav"
fitparameters = []
# Load files
sme = SME.SME_Structure.load(in_file)
if vald_file is not None:
vald = ValdFile(vald_file)
sme.linelist = vald
if atmo_file is not None:
sme.atmo.source = atmo_file
sme.atmo.method = "grid"
sme.atmo.geom = "PP"
# Choose free parameters, i.e. sme.pname
if len(fitparameters) == 0:
# ["teff", "logg", "monh", "abund Mg", "abund Y"]
if sme.fitparameters is not None and len(sme.fitparameters) != 0:
fitparameters = sme.fitparameters
else:
fitparameters = ["teff", "logg", "monh"]
# Get first guess from literature values
sme.teff = star["t_eff"].to_value("K") if "t_eff" in star else 6000
sme.logg = star["logg"].to_value(1) if "logg" in star else 4
monh = star["metallicity"].to_value(1) if "metallicity" in star else 0
sme.abund = Abund(monh, "asplund2009")
sme.vmic = (
star["velocity_turbulence"].to_value("km/s")
if "velocity_turbulence" in star
else 3
)
# Test this
sme.vmic = 0
sme.vsini = 0
# load the linelist
sme.linelist = ValdFile(vald_file)
# Set the atmosphere grid
sme.atmo.source = "marcs2014.sav"
sme.atmo.geom = "PP"
# Add NLTE corrections
sme.nlte.set_nlte("Al", "nlte_Al_ama51_pysme.grd")
sme.nlte.set_nlte("Ba", "nlte_Ba_ama51_pysme.grd")
sme.nlte.set_nlte("Ca", "nlte_Ca_ama51_pysme.grd")
sme.nlte.set_nlte("C", "nlte_C_ama51_pysme.grd")
sme.nlte.set_nlte("H", "nlte_H_ama51_pysme.grd")
sme.nlte.set_nlte("K", "nlte_K_ama51_pysme.grd")
sme.nlte.set_nlte("Li", "nlte_Li_ama51_pysme.grd")
sme.nlte.set_nlte("Mg", "nlte_Mg_ama51_pysme.grd")
sme.nlte.set_nlte("Mn", "nlte_Mn_ama51_pysme.grd")
# Define the location of all your files
# this will put everything into the example dir
target = "sun"
examples_dir = os.path.dirname(os.path.realpath(__file__))
in_file = os.path.join(examples_dir, "sun_6440_grid.inp")
out_file = os.path.join(examples_dir, f"{target}.sme")
plot_file = os.path.join(examples_dir, f"{target}.html")
log_file = os.path.join(examples_dir, f"{target}.log")
# Start the logging to the file
util.start_logging(log_file)
# Load your existing SME structure or create your own
sme = SME.SME_Structure.load(in_file)
sme.abund = Abund(0, "asplund2009")
sme.linelist = ValdFile(os.path.join(examples_dir, "sun.lin"))
# Change parameters if your want
sme.vsini = 0
sme.vrad = 0.35
sme.vrad_flag = "each"
sme.cscale_flag = "linear"
sme.cscale_type = "mask"
# Define any fitparameters you want
# For abundances use: 'abund {El}', where El is the element (e.g. 'abund Fe')
# For linelist use: 'linelist {Nr} {p}', where Nr is the number in the
# linelist and p is the line parameter (e.g. 'linelist 17 gflog')
fitparameters = ["teff", "logg", "monh"]
# Start SME solver
