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‎docs/jplspec/jplspec.rst

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@@ -1,5 +1,3 @@
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.. doctest-skip-all
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.. _astroquery.jplspec:
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*********************************************
@@ -27,15 +25,16 @@ following examples we have explicitly set it to False and True to show the
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what each setting yields:
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.. code-block:: python
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.. doctest-remote-data::
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>>> from astroquery.jplspec import JPLSpec
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>>> import astropy.units as u
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>>> response = JPLSpec.query_lines(min_frequency=100 * u.GHz,
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max_frequency=1000 * u.GHz,
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min_strength=-500,
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molecule="28001 CO",
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max_lines = 7,
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get_query_payload=False)
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... max_frequency=1000 * u.GHz,
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... min_strength=-500,
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... molecule="28001 CO",
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... max_lines = 7,
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... get_query_payload=False)
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>>> print(response)
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FREQ ERR LGINT DR ELO GUP TAG QNFMT QN' QN"
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MHz MHz MHz nm2 1 / cm
@@ -51,13 +50,14 @@ what each setting yields:
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The following example, with ``get_query_payload = True``, returns the payload:
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.. code-block:: python
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.. doctest-remote-data::
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>>> response = JPLSpec.query_lines(min_frequency=100 * u.GHz,
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max_frequency=1000 * u.GHz,
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min_strength=-500,
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molecule="28001 CO",
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max_lines = 7,
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get_query_payload=True)
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... max_frequency=1000 * u.GHz,
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... min_strength=-500,
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... molecule="28001 CO",
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... max_lines = 7,
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... get_query_payload=True)
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>>> print(response)
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{'MinNu': 100.0, 'MaxNu': 1000.0, 'Mol': '28001 CO', 'UnitNu': 'GHz',
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'StrLim': -500, 'MaxLines': 7}
@@ -66,13 +66,14 @@ The units of the columns of the query can be displayed by calling
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``response.info``:
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.. code-block:: python
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.. doctest-remote-data::
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>>> response = JPLSpec.query_lines(min_frequency=100 * u.GHz,
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max_frequency=1000 * u.GHz,
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min_strength=-500,
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molecule="28001 CO",
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max_lines = 7,
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get_query_payload=True)
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... max_frequency=1000 * u.GHz,
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... min_strength=-500,
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... molecule="28001 CO",
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... max_lines = 7,
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... get_query_payload=True)
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>>> print(response.info)
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<Table length=7>
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name dtype unit
@@ -92,14 +93,15 @@ These come in handy for converting to other units easily, an example using a
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simplified version of the data above is shown below:
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.. code-block:: python
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.. doctest-remote-data::
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>>> print (response)
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FREQ ERR ELO
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MHz MHz 1 / cm
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----------- ------- -------
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115271.2018 0.0005 0.0
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345795.9899 0.0005 11.535
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461040.7682 0.0005 23.0695
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----------- ------- -------
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115271.2018 0.0005 0.0
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345795.9899 0.0005 11.535
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461040.7682 0.0005 23.0695
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>>> response['FREQ'].quantity
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<Quantity [115271.2018,345795.9899,461040.7682] MHz>
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>>> response['FREQ'].to('GHz')
@@ -118,6 +120,7 @@ temperatures. Keep in mind that a negative TAG value signifies that
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the line frequency has been measured in the laboratory
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.. code-block:: python
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.. doctest-remote-data::
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>>> import matplotlib.pyplot as plt
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>>> from astroquery.jplspec import JPLSpec
@@ -133,6 +136,7 @@ You can also access the temperature of the partition function
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through metadata:
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.. code-block:: python
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.. doctest-remote-data::
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>>> result['QLOG2'].meta
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{'Temperature (K)' : 225}
@@ -147,6 +151,7 @@ partition function against the temperatures found in the metadata is shown
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below:
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.. code-block:: python
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.. doctest-remote-data::
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>>> temp = result.meta['Temperature (K)']
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>>> part = list(mol['QLOG1','QLOG2','QLOG3', 'QLOG4', 'QLOG5','QLOG6',
@@ -171,6 +176,7 @@ for the CO molecule) we can continue to determine the partition function at
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other temperatures using curve fitting models:
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.. code-block:: python
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.. doctest-remote-data::
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>>> from scipy.optimize import curve_fit
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>>> def f(T,a):
@@ -209,32 +215,28 @@ that you do not set the local parse parameter since the module will be able
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to query these directly.
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.. code-block:: python
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.. doctest-remote-data::
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>>> from astroquery.jplspec import JPLSpec
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>>> import astropy.units as u
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>>> response = JPLSpec.query_lines_async(min_frequency=100 * u.GHz,
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max_frequency=1000 * u.GHz,
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min_strength=-500,
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molecule="H2O",
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parse_name_locally=True)
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Searches like these can lead to very broad queries. Since the table yields
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extensive results, we will only show a dictionary of the tags that
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went into the payload to create a response:
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.. code-block:: python
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>>> {'CH2OO': 46014,
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'H2O': 18003,
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'H2O v2,2v2,v': 18005,
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'H2O-17': 19003,
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'H2O-18': 20003,
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'H2O2': 34004,
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'HCCCH2OD': 57003,
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'HCCCH2OH': 56010,
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'HCOCH2OH': 60006,
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'NH2CH2CH2OH': 61004}
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... max_frequency=1000 * u.GHz,
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... min_strength=-500,
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... molecule="H2O",
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... parse_name_locally=True)
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>>> # Searches like these can lead to very broad queries. Since the table yields
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>>> # extensive results, we will only show a dictionary of the tags that
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>>> # went into the payload to create a response:
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{'CH2OO': 46014,
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'H2O': 18003,
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'H2O v2,2v2,v': 18005,
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'H2O-17': 19003,
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'H2O-18': 20003,
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'H2O2': 34004,
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'HCCCH2OD': 57003,
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'HCCCH2OH': 56010,
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'HCOCH2OH': 60006,
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'NH2CH2CH2OH': 61004}
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As you can see, the 'H2O' string was processed as a regular expression,
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and the search matched any molecule that contained the combination of
@@ -243,64 +245,59 @@ characters 'H20'.
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A few examples that show the power of the regex option are the following:
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.. code-block:: python
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.. doctest-remote-data::
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>>> response = JPLSpec.query_lines_async(min_frequency=100 * u.GHz,
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max_frequency=1000 * u.GHz,
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min_strength=-500,
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molecule="H2O$",
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parse_name_locally=True)
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The response:
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.. code-block:: python
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>>> {'H2O': 18003}
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... max_frequency=1000 * u.GHz,
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... min_strength=-500,
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... molecule="H2O$",
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... parse_name_locally=True)
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>>> # The response:
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{'H2O': 18003}
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As seen above, the regular expression "H2O$" yields only an exact match because
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the special character $ matches the end of the line. This functionality allows
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you to be as specific or vague as you want to allow the results to be:
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.. code-block:: python
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.. doctest-remote-data::
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>>> from astroquery.jplspec import JPLSpec
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>>> import astropy.units as u
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>>> response = JPLSpec.query_lines_async(min_frequency=100 * u.GHz,
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max_frequency=1000 * u.GHz,
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min_strength=-500,
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molecule="^H.O$",
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parse_name_locally=True)
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This pattern matches any word that starts with an H, ends with an O, and
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contains any character in between, it results in the following molecules
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being queried:
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>>> {'H2O': 18003,
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'HDO': 19002
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'HCO': 29004
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'HNO': 31005 }
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... max_frequency=1000 * u.GHz,
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... min_strength=-500,
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... molecule="^H.O$",
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... parse_name_locally=True)
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>>> # This pattern matches any word that starts with an H, ends with an O, and
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>>> # contains any character in between, it results in the following molecules
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>>> # being queried:
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{'H2O': 18003,
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'HDO': 19002
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'HCO': 29004
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'HNO': 31005 }
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Another example of the functionality of this option is the option to obtain
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results from a molecule and its isotopes, in this case H2O and HDO:
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.. code-block:: python
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.. doctest-remote-data::
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>>> from astroquery.jplspec import JPLSpec
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>>> import astropy.units as u
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>>> response = JPLSpec.query_lines_async(min_frequency=100 * u.GHz,
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max_frequency=1000 * u.GHz,
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min_strength=-500,
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molecule="^H[2D]O(-\d\d|)$",
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parse_name_locally=True)
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This pattern matches any H2O and HDO isotopes and it results in the following
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molecules being part of the payload:
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>>> {'H2O': 18003,
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'H2O-17': 19003,
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'H2O-18': 20003,
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'HDO': 19002,
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'HDO-18': 21001}
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... max_frequency=1000 * u.GHz,
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... min_strength=-500,
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... molecule="^H[2D]O(-\d\d|)$",
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... parse_name_locally=True)
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>>> # This pattern matches any H2O and HDO isotopes and it results in the following
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>>> # molecules being part of the payload:
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{'H2O': 18003,
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'H2O-17': 19003,
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'H2O-18': 20003,
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'HDO': 19002,
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'HDO-18': 21001}
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Remember to print your response to see the table of your results.
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