tardis-sn / carsus

Atomic Database for Astronomy
https://tardis-sn.github.io/carsus
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Update GFALL data and/or parser #328

Open isaacgsmith opened 1 year ago

isaacgsmith commented 1 year ago

There is new GFALL data that has been released since 2016 (see http://kurucz.harvard.edu/linelists.html under GFNEW). I tried parsing it with carsus but it did not work, so I am assuming that the parser either needs to be updated, or something needs to be done with the .dat file to make it readable by carsus. I am not sure which one of these is the case, since I am not too familiar with carsus.

I am including my error message when parsing gfnew/gfall08oct17.dat in case it is helpful:

TypeError                                 Traceback (most recent call last)
~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/ops/array_ops.py in na_arithmetic_op(left, right, op, str_rep)
    148     try:
--> 149         result = expressions.evaluate(op, str_rep, left, right)
    150     except TypeError:

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/computation/expressions.py in evaluate(op, op_str, a, b, use_numexpr)
    207     if use_numexpr:
--> 208         return _evaluate(op, op_str, a, b)
    209     return _evaluate_standard(op, op_str, a, b)

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/computation/expressions.py in _evaluate_numexpr(op, op_str, a, b)
    120     if result is None:
--> 121         result = _evaluate_standard(op, op_str, a, b)
    122 

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/computation/expressions.py in _evaluate_standard(op, op_str, a, b)
     69     with np.errstate(all="ignore"):
---> 70         return op(a, b)
     71 

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/ops/roperator.py in rpow(left, right)
     47 def rpow(left, right):
---> 48     return right ** left
     49 

TypeError: unsupported operand type(s) for ** or pow(): 'int' and 'str'

During handling of the above exception, another exception occurred:

TypeError                                 Traceback (most recent call last)
/tmp/ipykernel_3668324/4130594254.py in <module>
      4                            ionization_energies,
      5                            gfall_reader,
----> 6                            zeta_data)

~/carsus/carsus/io/output/base.py in __init__(self, atomic_weights, ionization_energies, gfall_reader, zeta_data, chianti_reader, cmfgen_reader, levels_lines_param, collisions_param)
     70 
     71         self.levels_all = self._get_all_levels_data()
---> 72         self.lines_all = self._get_all_lines_data()
     73         self.levels, self.lines = self.create_levels_lines(**levels_lines_param)
     74         self.create_macro_atom()

~/carsus/carsus/io/output/base.py in _get_all_lines_data(self)
    422 
    423         logger.info('Ingesting transition lines.')
--> 424         gf_lines = self.gfall_reader.lines
    425         gf_lines['ds_id'] = 2
    426 

~/carsus/carsus/io/kurucz/gfall.py in lines(self)
    119     def lines(self):
    120         if self._lines is None:
--> 121             self._lines = self.extract_lines()
    122         return self._lines
    123 

~/carsus/carsus/io/kurucz/gfall.py in extract_lines(self, gfall, levels, selected_columns)
    346 
    347         lines = gfall[selected_columns].copy()
--> 348         lines["gf"] = np.power(10, lines["loggf"])
    349         lines = lines.drop(["loggf"], 1)
    350 

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/series.py in __array_ufunc__(self, ufunc, method, *inputs, **kwargs)
    634         # for binary ops, use our custom dunder methods
    635         result = ops.maybe_dispatch_ufunc_to_dunder_op(
--> 636             self, ufunc, method, *inputs, **kwargs
    637         )
    638         if result is not NotImplemented:

pandas/_libs/ops_dispatch.pyx in pandas._libs.ops_dispatch.maybe_dispatch_ufunc_to_dunder_op()

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/ops/common.py in new_method(self, other)
     62         other = item_from_zerodim(other)
     63 
---> 64         return method(self, other)
     65 
     66     return new_method

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/ops/__init__.py in wrapper(left, right)
    501         lvalues = extract_array(left, extract_numpy=True)
    502         rvalues = extract_array(right, extract_numpy=True)
--> 503         result = arithmetic_op(lvalues, rvalues, op, str_rep)
    504 
    505         return _construct_result(left, result, index=left.index, name=res_name)

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/ops/array_ops.py in arithmetic_op(left, right, op, str_rep)
    195     else:
    196         with np.errstate(all="ignore"):
--> 197             res_values = na_arithmetic_op(lvalues, rvalues, op, str_rep)
    198 
    199     return res_values

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/ops/array_ops.py in na_arithmetic_op(left, right, op, str_rep)
    149         result = expressions.evaluate(op, str_rep, left, right)
    150     except TypeError:
--> 151         result = masked_arith_op(left, right, op)
    152 
    153     return missing.dispatch_fill_zeros(op, left, right, result)

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/ops/array_ops.py in masked_arith_op(x, y, op)
    110         if mask.any():
    111             with np.errstate(all="ignore"):
--> 112                 result[mask] = op(xrav[mask], y)
    113 
    114     result, _ = maybe_upcast_putmask(result, ~mask, np.nan)

~/mambaforge-pypy3/envs/carsus/lib/python3.7/site-packages/pandas/core/ops/roperator.py in rpow(left, right)
     46 
     47 def rpow(left, right):
---> 48     return right ** left
     49 
     50 

TypeError: unsupported operand type(s) for ** or pow(): 'int' and 'str'
epassaro commented 1 year ago

Or maybe we need to write a new parser, I don't know how similar the file is