def getone(self):
""" Method to get the next result from the query
Parameters
----------
None
Returns
-------
LineData object containing the transition data
"""
res = self.cursor.fetchone()
if self.ishfs:
return LineData(frequency=res[0],
transition=res[1],
linestrength=res[2],
energies=[res[3], res[4]])
formula = str(res[0])
return LineData(formula=formula,
name=str(res[1]),
frequency=res[2],
uid=utils.getplain(formula) + "_%.5f" % res[2],
energies=[res[5], res[6]],
linestrength=res[4],
mass=utils.getmass(formula),
transition=str(res[3]),
plain=utils.getplain(formula),
isocount=utils.isotopecount(formula),
hfnum=res[7])
def getall(self):
""" Method to get all results from the query
Parameters
----------
None
Returns
-------
List of LineData objects, one for each transition
"""
results = self.cursor.fetchall()
output = []
if self.ishfs:
for res in results:
output.append(LineData(frequency=res[0], transition=str(res[1]), linestrength=res[2],
energies=[res[3], res[4]]))
else:
for res in results:
formula = str(res[0])
output.append(LineData(formula=formula, name=str(res[1]), frequency=res[2], uid=utils.getplain(formula) + "_%.5f" % res[2],
energies=[res[5], res[6]], linestrength=res[4], mass=utils.getmass(formula), transition=str(res[3]),
plain=utils.getplain(formula), isocount=utils.isotopecount(formula),
hfnum=res[7]))
return output
def getone(self):
""" Method to get the next result from the query
Parameters
----------
None
Returns
-------
LineData object containing the transition data
"""
res = self.cursor.fetchone()
if self.ishfs:
return LineData(frequency=res[0], transition=res[1], linestrength=res[2],
energies=[res[3], res[4]])
formula = str(res[0])
return LineData(formula=formula, name=str(res[1]), frequency=res[2], uid=utils.getplain(formula) + "_%.5f" % res[2],
energies=[res[5], res[6]], linestrength=res[4], mass=utils.getmass(formula), transition=str(res[3]),
plain=utils.getplain(formula), isocount=utils.isotopecount(formula), hfnum=res[7])
def getall(self):
""" Method to get all results from the query
Parameters
----------
None
Returns
-------
List of LineData objects, one for each transition
"""
results = self.cursor.fetchall()
output = []
if self.ishfs:
for res in results:
output.append(
LineData(frequency=res[0],
transition=str(res[1]),
linestrength=res[2],
energies=[res[3], res[4]]))
else:
for res in results:
formula = str(res[0])
output.append(
LineData(formula=formula,
name=str(res[1]),
frequency=res[2],
uid=utils.getplain(formula) + "_%.5f" % res[2],
energies=[res[5], res[6]],
linestrength=res[4],
mass=utils.getmass(formula),
transition=str(res[3]),
plain=utils.getplain(formula),
isocount=utils.isotopecount(formula),
hfnum=res[7]))
return output
def splatalogue(self, minfreq, maxfreq, rrlevelstr, allowExotics):
""" Method to search through the slsearch database. Search options must already
have been set. Returns a formatted list of transitions, each item in the list
is another list containing the following:
#. Chemical formula
#. Name
#. Rest frequency
#. Unique identifier
#. Lower state energy in K
#. Upper state energy in K
#. Linestrength in D^2
#. Mass of molecule (rough)
#. Transition quantum numbers
#. Cleanly formatted chemical formula for display purposes
#. Number of non-standard isotopes in the molecule
Parameters
----------
rrlevelstr : str
String representation of how deep to search for recombination lines. Possibilities
are:
+ `off` no recombination lines are allowed in the results.
+ `shallow` only H and He, alpha and beta lines are allowed in the results.
+ `deep` any recombination line is allowed in the results.
allowExotics : bool
Whether or not to allow exotic atoms in the molecules (e.g Ti)
Returns
-------
A list of LineData objects, with each containing the data for a single transition.
"""
possible = []
# initialize the interface class
sp = Splatalogue.Splatalogue(**self.sp_kw)
# do the search
results = sp.query_lines(minfreq, maxfreq)
# get the results
lines = results.readlines()
# the top row is the column headings as one long string
# split the string into its individual components
header = lines[0].split(":")
# the indexes of the data are not guaranteed, so search for each needed one
# by its known name, if splatalogue changes the column headings this will
# break
sidx = header.index("Species")
cidx = header.index("Chemical Name")
fidx = header.index("Freq-GHz")
bfidx = header.index("Meas Freq-GHz")
qidx = header.index("Resolved QNs")
stidx = header.index(
"S<sub>ij</sub>μ<sup>2</sup> (D<sup>2</sup>)")
elidx = header.index("E_L (K)")
euidx = header.index("E_U (K)")
# remove the header row so the rest can be iterated over
del lines[0]
# make sure all of the indexes are found
if min(sidx, cidx, fidx, qidx, stidx, elidx, euidx, bfidx) < 0:
raise Exception("Missing data") # need a better message
# iterate over all the results
for line in lines:
# sploit into columns
row = line.split(":")
# see which frequency we have, prefering the 'Freq-GHz' column
if not row[fidx]:
freq = float(row[bfidx])
else:
freq = float(row[fidx])
# process the result, dropping if needed
if not utils.isexotic(row[sidx] or allowExotics):
if (not "RECOMBINATION" in row[cidx].upper() \
or ("RECOMBINATION" in row[cidx].upper()
and (rrlevelstr == "DEEP" or ("H" in row[sidx] \
and ("alpha" in row[sidx] or "beta" in row[sidx]))))) \
and not self.checktier1overlap(row[fidx]):
possible.append(
LineData(
formula=row[sidx],
name=row[cidx],
frequency=freq,
uid=utils.getplain(row[sidx]) + "_%.5f" % freq,
energies=[float(row[elidx]),
float(row[euidx])],
linestrength=float(row[stidx]),
mass=utils.getmass(row[sidx]),
transition=row[qidx],
plain=utils.getplain(row[sidx]),
isocount=utils.isotopecount(row[sidx])))
return possible
def slsearch(self, rrlevelstr, allowExotics):
""" Method to search through the slsearch database. Search options must already
have been set. Returns a formatted list of transitions, each item in the list
is another list containing the following:
#. Chemical formula
#. Name
#. Rest frequency
#. Unique identifier
#. Lower state energy in K
#. Upper state energy in K
#. Linestrength in D^2
#. Mass of molecule (rough)
#. Transition quantum numbers
#. Cleanly formatted chemical formula for display purposes
#. Number of non-standard isotopes in the molecule
Parameters
----------
rrlevelstr : str
String representation of how deep to search for recombination lines. Possibilities
are:
+ `off` no recombination lines are allowed in the results.
+ `shallow` only H and He, alpha and beta lines are allowed in the results.
+ `deep` any recombination line is allowed in the results.
allowExotics : bool
Whether or not to allow exotic atoms in the molecules (e.g Ti)
Returns
-------
A list of LineData objects, with each containing the data for a single transition.
"""
try:
from slsearch import slsearch
import taskinit
except:
logging.info(
"WARNING: No CASA, slsearch is not available, no line identificaiton possible."
)
raise
if "outfile" not in self.sls_kw:
# @todo should really use tempfile, or $$; this is an accident in waiting
# also, in the same namespace if a seed is the same, the accident is guarenteed; see genspec.py)
flname = "/tmp/slsearch.%i" % (int(random.random() * 1000))
utils.remove(flname)
self.sls_kw["outfile"] = flname
# do the search
#print self.sls_kw
#print flname
slsearch(**self.sls_kw)
# open the table and get the contents
tb = taskinit.tbtool()
tb.open(self.sls_kw["outfile"])
numrows = tb.nrows()
possible = []
# convert the results to a list
for row in range(numrows):
species = tb.getcell("SPECIES", row)
name = tb.getcell("CHEMICAL_NAME", row)
freq = float(tb.getcell("FREQUENCY", row))
qn = tb.getcell("QUANTUM_NUMBERS", row)
linestr = float(tb.getcell("SMU2", row))
el = float(tb.getcell("EL", row))
eu = float(tb.getcell("EU", row))
# only add it to the output list if it does not contain an exotic atom,
# or if exotics are allowed
if not utils.isexotic(species or allowExotics):
if (not "RECOMBINATION" in name.upper() \
or ("RECOMBINATION" in name.upper()
and (rrlevelstr == "DEEP" or ("H" in species \
and ("alpha" in species or "beta" in species))))) \
and not self.checktier1overlap(freq):
possible.append(
LineData(formula=species,
name=name,
frequency=freq,
uid=utils.getplain(species) + "_%.5f" % freq,
energies=[el, eu],
linestrength=linestr,
mass=utils.getmass(species),
transition=qn,
plain=utils.getplain(species),
isocount=utils.isotopecount(species)))
tb.close()
# remove the temporary table
utils.remove(self.sls_kw["outfile"])
return possible
def splatalogue(self, minfreq, maxfreq, rrlevelstr, allowExotics):
""" Method to search through the slsearch database. Search options must already
have been set. Returns a formatted list of transitions, each item in the list
is another list containing the following:
#. Chemical formula
#. Name
#. Rest frequency
#. Unique identifier
#. Lower state energy in K
#. Upper state energy in K
#. Linestrength in D^2
#. Mass of molecule (rough)
#. Transition quantum numbers
#. Cleanly formatted chemical formula for display purposes
#. Number of non-standard isotopes in the molecule
Parameters
----------
rrlevelstr : str
String representation of how deep to search for recombination lines. Possibilities
are:
+ `off` no recombination lines are allowed in the results.
+ `shallow` only H and He, alpha and beta lines are allowed in the results.
+ `deep` any recombination line is allowed in the results.
allowExotics : bool
Whether or not to allow exotic atoms in the molecules (e.g Ti)
Returns
-------
A list of LineData objects, with each containing the data for a single transition.
"""
possible = []
# initialize the interface class
sp = Splatalogue.Splatalogue(**self.sp_kw)
# do the search
results = sp.query_lines(minfreq, maxfreq)
# get the results
lines = results.readlines()
# the top row is the column headings as one long string
# split the string into its individual components
header = lines[0].split(":")
# the indexes of the data are not guaranteed, so search for each needed one
# by its known name, if splatalogue changes the column headings this will
# break
sidx = header.index("Species")
cidx = header.index("Chemical Name")
fidx = header.index("Freq-GHz")
bfidx = header.index("Meas Freq-GHz")
qidx = header.index("Resolved QNs")
stidx = header.index("S<sub>ij</sub>μ<sup>2</sup> (D<sup>2</sup>)")
elidx = header.index("E_L (K)")
euidx = header.index("E_U (K)")
# remove the header row so the rest can be iterated over
del lines[0]
# make sure all of the indexes are found
if min(sidx, cidx, fidx, qidx, stidx, elidx, euidx, bfidx) < 0:
raise Exception("Missing data") # need a better message
# iterate over all the results
for line in lines:
# sploit into columns
row = line.split(":")
# see which frequency we have, prefering the 'Freq-GHz' column
if not row[fidx]:
freq = float(row[bfidx])
else:
freq = float(row[fidx])
# process the result, dropping if needed
if not utils.isexotic(row[sidx] or allowExotics):
if (not "RECOMBINATION" in row[cidx].upper() \
or ("RECOMBINATION" in row[cidx].upper()
and (rrlevelstr == "DEEP" or ("H" in row[sidx] \
and ("alpha" in row[sidx] or "beta" in row[sidx]))))) \
and not self.checktier1overlap(row[fidx]):
possible.append(LineData(formula=row[sidx], name=row[cidx], frequency=freq,
uid=utils.getplain(row[sidx]) + "_%.5f" % freq,
energies=[float(row[elidx]), float(row[euidx])], linestrength=float(row[stidx]), mass=utils.getmass(row[sidx]),
transition=row[qidx], plain=utils.getplain(row[sidx]),
isocount=utils.isotopecount(row[sidx])))
return possible
def slsearch(self, rrlevelstr, allowExotics):
""" Method to search through the slsearch database. Search options must already
have been set. Returns a formatted list of transitions, each item in the list
is another list containing the following:
#. Chemical formula
#. Name
#. Rest frequency
#. Unique identifier
#. Lower state energy in K
#. Upper state energy in K
#. Linestrength in D^2
#. Mass of molecule (rough)
#. Transition quantum numbers
#. Cleanly formatted chemical formula for display purposes
#. Number of non-standard isotopes in the molecule
Parameters
----------
rrlevelstr : str
String representation of how deep to search for recombination lines. Possibilities
are:
+ `off` no recombination lines are allowed in the results.
+ `shallow` only H and He, alpha and beta lines are allowed in the results.
+ `deep` any recombination line is allowed in the results.
allowExotics : bool
Whether or not to allow exotic atoms in the molecules (e.g Ti)
Returns
-------
A list of LineData objects, with each containing the data for a single transition.
"""
try:
from slsearch import slsearch
import taskinit
except:
logging.info("WARNING: No CASA, slsearch is not available, no line identificaiton possible.")
raise
if "outfile" not in self.sls_kw:
# @todo should really use tempfile, or $$; this is an accident in waiting
# also, in the same namespace if a seed is the same, the accident is guarenteed; see genspec.py)
flname = "/tmp/slsearch.%i" % (int(random.random() * 1000))
utils.remove(flname)
self.sls_kw["outfile"] = flname
# do the search
#print self.sls_kw
#print flname
slsearch(**self.sls_kw)
# open the table and get the contents
tb = taskinit.tb
tb.open(self.sls_kw["outfile"])
numrows = tb.nrows()
possible = []
# convert the results to a list
for row in range(numrows):
species = tb.getcell("SPECIES", row)
name = tb.getcell("CHEMICAL_NAME", row)
freq = float(tb.getcell("FREQUENCY", row))
qn = tb.getcell("QUANTUM_NUMBERS", row)
linestr = float(tb.getcell("SMU2", row))
el = float(tb.getcell("EL", row))
eu = float(tb.getcell("EU", row))
# only add it to the output list if it does not contain an exotic atom,
# or if exotics are allowed
if not utils.isexotic(species or allowExotics):
if (not "RECOMBINATION" in name.upper() \
or ("RECOMBINATION" in name.upper()
and (rrlevelstr == "DEEP" or ("H" in species \
and ("alpha" in species or "beta" in species))))) \
and not self.checktier1overlap(freq):
possible.append(LineData(formula=species, name=name, frequency=freq,
uid=utils.getplain(species) + "_%.5f" % freq,
energies=[el, eu], linestrength=linestr, mass=utils.getmass(species),
transition=qn, plain=utils.getplain(species),
isocount=utils.isotopecount(species)))
tb.close()
# remove the temporary table
utils.remove(self.sls_kw["outfile"])
return possible