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(**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]
- magics = {'cell': {}, 'line': {'aiida': 'aiida', 'verdi': 'verdi'}}#
- 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.Example:
# assuming that local_ns is a dictionary, e.g. from locals() import sys add_to_ns(local_ns, 'sys', sys)
- aiida.tools.ipython.ipython_magics.load_ipython_extension(ipython)[source]#
Registers the %aiida IPython extension.
Deprecated since version v3.0.0: Use
register_ipython_extension()
instead.
- aiida.tools.ipython.ipython_magics.register_ipython_extension(ipython=None)[source]#
Registers the %aiida IPython extension.
The %aiida IPython extension provides the same environment as the verdi shell.
- Parameters
ipython – InteractiveShell instance. If omitted, the global InteractiveShell is used.