`echemdb.entry`

A Data Package describing tabulated data for which the units of the column names (pandas) or fields (frictionless) are known.

Datapackages are the individual elements of a Database and are denoted as entry.

EXAMPLES:

Data Packages containing published data, also contain information on the source of the data.:

>>> from echemdb.database import Database
>>> db = Database.create_example()
>>> entry = db['alves_2011_electrochemistry_6010_f1a_solid']
>>> entry.bibliography  
Entry('article',
  fields=[
    ('title', 'Electrochemistry at Ru(0001) in a flowing CO-saturated electrolyte—reactive and inert adlayer phases'),
    ('journal', 'Physical Chemistry Chemical Physics'),
    ('volume', '13'),
    ('number', '13'),
    ('pages', '6010--6021'),
    ('year', '2011'),
    ('publisher', 'Royal Society of Chemistry'),
    ('abstract', 'We investigated ...')],
  persons=OrderedCaseInsensitiveDict([('author', [Person('Alves, Otavio B'), Person('Hoster, Harry E'), Person('Behm, Rolf J{\\"u}rgen')])]))

class echemdb.entry.Entry(package)

A data packages describing tabulated data.

EXAMPLES:

Entries are normally obtained by opening a Database of entries:

>>> from echemdb.database import Database
>>> database = Database.create_example()
>>> entry = next(iter(database))

property bibliography

Return a pybtex bibliography object.

EXAMPLES:

>>> entry = Entry.create_examples()[0]
>>> entry.bibliography 
Entry('article',
fields=[
    ('title', ...
    ...

>>> entry_no_bib = Entry.create_examples(name="no_bibliography")[0]
>>> entry_no_bib.bibliography
''

citation(backend='text')

Return a formatted reference for the entry’s bibliography such as:

Doe, et al., Journal Name, volume (YEAR) page, “Title”

Rendering default is plain text ‘text’, but can be changed to any format supported by pybtex, such as markdown ‘md’, ‘latex’ or ‘html’.

EXAMPLES:

>>> entry = Entry.create_examples()[0]
>>> entry.citation(backend='text')
'O. B. Alves et al. Electrochemistry at Ru(0001) in a flowing CO-saturated electrolyte—reactive and inert adlayer phases. Physical Chemistry Chemical Physics, 13(13):6010–6021, 2011.'
>>> print(entry.citation(backend='md'))
O\. B\. Alves *et al\.*
*Electrochemistry at Ru\(0001\) in a flowing CO\-saturated electrolyte—reactive and inert adlayer phases*\.
*Physical Chemistry Chemical Physics*, 13\(13\):6010–6021, 2011\.

classmethod create_examples(name='alves_2011_electrochemistry_6010')

Return some example entries for use in automated tests.

The examples are built on-demand from data in echemdb’s examples directory.

EXAMPLES:

>>> Entry.create_examples()
[Entry('alves_2011_electrochemistry_6010_f1a_solid')]

An entry without associated BIB file.

>>> Entry.create_examples(name="no_bibliography")
[Entry('no_bibliography')]

property df

Return the data of this entry as a data frame.

EXAMPLES:

>>> entry = Entry.create_examples()[0]
>>> entry.df
              t         E         j
0      0.000000 -0.103158 -0.998277
1      0.020000 -0.102158 -0.981762
...

The units and descriptions of the axes in the data frame can be recovered:

>>> entry.package.get_resource('echemdb').schema.fields 
[{'name': 't', 'type': 'number', 'unit': 's'},
{'name': 'E', 'type': 'number', 'unit': 'V', 'reference': 'RHE'},
{'name': 'j', 'type': 'number', 'unit': 'A / m2'}]

field_unit(field_name)

Return the unit of the field_name of the echemdb resource.

EXAMPLES:

>>> entry = Entry.create_examples()[0]
>>> entry.field_unit('E')
'V'

property identifier

Return a unique identifier for this entry, i.e., its filename.

EXAMPLES:

>>> entry = Entry.create_examples()[0]
>>> entry.identifier
'alves_2011_electrochemistry_6010_f1a_solid'

plot(x_label=None, y_label=None, name=None)

Return a plot of this entry.

The default plot is constructed from the first two columns of the dataframne.

EXAMPLES:

>>> entry = Entry.create_examples()[0]
>>> entry.plot()
Figure(...)

The plot can also be returned with custom axis units available in the resource:

>>> entry.plot(x_label='j', y_label='E')
Figure(...)

rescale(units)

Returns a rescaled Entry with axes in the specified units. Provide a dict, where the key is the axis name and the value the new unit, such as {‘j’: ‘uA / cm2’, ‘t’: ‘h’}.

EXAMPLES:

The units without any rescaling:

>>> entry = Entry.create_examples()[0]
>>> entry.package.get_resource('echemdb').schema.fields
[{'name': 't', 'type': 'number', 'unit': 's'},
{'name': 'E', 'type': 'number', 'unit': 'V', 'reference': 'RHE'},
{'name': 'j', 'type': 'number', 'unit': 'A / m2'}]

A rescaled entry using different units:

>>> rescaled_entry = entry.rescale({'j':'uA / cm2', 't':'h'})
>>> rescaled_entry.package.get_resource('echemdb').schema.fields
[{'name': 't', 'type': 'number', 'unit': 'h'},
{'name': 'E', 'type': 'number', 'unit': 'V', 'reference': 'RHE'},
{'name': 'j', 'type': 'number', 'unit': 'uA / cm2'}]

The values in the data frame are scaled to match the new units:

>>> rescaled_entry.df
             t         E          j
0     0.000000 -0.103158 -99.827664
1     0.000006 -0.102158 -98.176205
...

echemdb.entry

`echemdb.entry`