aiida.tools.ipython package¶
Submodules¶
File to be executed by IPython in order to register the line magic %aiida
This file can be put into the startup folder in order to have the line
magic available at startup.
The start up folder is usually at .ipython/profile_default/startup/
An IPython extension that provides a magic command to load basic aiida commands.
This makes it much easier to start.
Produces output in:
Plaintext (IPython [qt]console)
HTML (IPython notebook,
nbconvert --to html
,--to slides
)JSON (IPython notebook
.ipynb
files)LaTeX (e.g.
ipython nbconvert example.ipynb --to LaTeX --post PDF
)
Notes on how to load it at start: https://ipython.org/ipython-doc/3/config/intro.html
Usage¶
In [1]: %load_ext aiida_magic
In [2]: %aiida
-
class
aiida.tools.ipython.ipython_magics.
AiiDALoaderMagics
(shell=None, **kwargs)[source]¶ Bases:
IPython.core.magic.Magics
AiiDA magic loader.
-
__module__
= 'aiida.tools.ipython.ipython_magics'¶
-
_trait_default_generators
= {}¶
-
aiida
(line='', local_ns=None)[source]¶ Load AiiDA in ipython (checking if it was already loaded), and inserts in the namespace the main AiiDA classes (the same that are loaded in
verdi shell
.Usage:
%aiida [optional parameters]
Todo
implement parameters, e.g. for the profile to load.
-
magics
= {'cell': {}, 'line': {'aiida': 'aiida'}}¶
-
registered
= True¶
-
-
aiida.tools.ipython.ipython_magics.
add_to_ns
(local_ns, name, obj)[source]¶ Add a new variable with name
name
and valueobj
to the namespacelocal_ns
, optionally showing a warning if we are hiding an existing variable.Todo
implement the warning.
Example:
# assuming that local_ns is a dictionary, e.g. from locals() import sys add_to_ns(local_ns, 'sys', sys)