mirror of
https://github.com/triqs/dft_tools
synced 2024-11-05 13:43:49 +01:00
11d394fd5b
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp * added global header triqs_dft_tools/triqs_dft_tools.hpp * python dir based on single cmakelist file * registered C++ tests for plovasp * corrected imports for py3 tests for plovasp * corrected block order in sigma_from_file and srvo3_Gloc * exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5 * moved vasp converter bash scripts from dir shells to bin dir
774 lines
25 KiB
Python
774 lines
25 KiB
Python
"""
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A directive for including a matplotlib plot in a Sphinx document.
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By default, in HTML output, `plot` will include a .png file with a
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link to a high-res .png and .pdf. In LaTeX output, it will include a
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.pdf.
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The source code for the plot may be included in one of three ways:
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1. **A path to a source file** as the argument to the directive::
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.. plot:: path/to/plot.py
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When a path to a source file is given, the content of the
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directive may optionally contain a caption for the plot::
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.. plot:: path/to/plot.py
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This is the caption for the plot
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Additionally, one my specify the name of a function to call (with
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no arguments) immediately after importing the module::
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.. plot:: path/to/plot.py plot_function1
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2. Included as **inline content** to the directive::
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.. plot::
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import matplotlib.pyplot as plt
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import matplotlib.image as mpimg
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import numpy as np
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img = mpimg.imread('_static/stinkbug.png')
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imgplot = plt.imshow(img)
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3. Using **doctest** syntax::
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.. plot::
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A plotting example:
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>>> import matplotlib.pyplot as plt
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>>> plt.plot([1,2,3], [4,5,6])
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Options
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-------
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The ``plot`` directive supports the following options:
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format : {'python', 'doctest'}
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Specify the format of the input
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include-source : bool
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Whether to display the source code. The default can be changed
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using the `plot_include_source` variable in conf.py
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encoding : str
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If this source file is in a non-UTF8 or non-ASCII encoding,
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the encoding must be specified using the `:encoding:` option.
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The encoding will not be inferred using the ``-*- coding -*-``
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metacomment.
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context : bool
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If provided, the code will be run in the context of all
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previous plot directives for which the `:context:` option was
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specified. This only applies to inline code plot directives,
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not those run from files.
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nofigs : bool
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If specified, the code block will be run, but no figures will
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be inserted. This is usually useful with the ``:context:``
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option.
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Additionally, this directive supports all of the options of the
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`image` directive, except for `target` (since plot will add its own
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target). These include `alt`, `height`, `width`, `scale`, `align` and
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`class`.
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Configuration options
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---------------------
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The plot directive has the following configuration options:
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plot_include_source
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Default value for the include-source option
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plot_pre_code
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Code that should be executed before each plot.
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plot_basedir
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Base directory, to which ``plot::`` file names are relative
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to. (If None or empty, file names are relative to the
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directoly where the file containing the directive is.)
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plot_formats
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File formats to generate. List of tuples or strings::
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[(suffix, dpi), suffix, ...]
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that determine the file format and the DPI. For entries whose
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DPI was omitted, sensible defaults are chosen.
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plot_html_show_formats
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Whether to show links to the files in HTML.
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plot_rcparams
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A dictionary containing any non-standard rcParams that should
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be applied before each plot.
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"""
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import sys, os, glob, shutil, imp, warnings, io, re, textwrap, \
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traceback, exceptions
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from docutils.parsers.rst import directives
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from docutils import nodes
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from docutils.parsers.rst.directives.images import Image
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align = Image.align
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import sphinx
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sphinx_version = sphinx.__version__.split(".")
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# The split is necessary for sphinx beta versions where the string is
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# '6b1'
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sphinx_version = tuple([int(re.split('[a-z]', x)[0])
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for x in sphinx_version[:2]])
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try:
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# Sphinx depends on either Jinja or Jinja2
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import jinja2
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def format_template(template, **kw):
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return jinja2.Template(template).render(**kw)
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except ImportError:
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import jinja
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def format_template(template, **kw):
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return jinja.from_string(template, **kw)
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import matplotlib
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import matplotlib.cbook as cbook
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matplotlib.use('Agg')
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import matplotlib.pyplot as plt
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from matplotlib import _pylab_helpers
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__version__ = 2
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#------------------------------------------------------------------------------
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# Relative pathnames
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#------------------------------------------------------------------------------
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# os.path.relpath is new in Python 2.6
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try:
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from os.path import relpath
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except ImportError:
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# Copied from Python 2.7
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if 'posix' in sys.builtin_module_names:
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def relpath(path, start=os.path.curdir):
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"""Return a relative version of a path"""
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from os.path import sep, curdir, join, abspath, commonprefix, \
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pardir
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if not path:
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raise ValueError("no path specified")
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start_list = abspath(start).split(sep)
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path_list = abspath(path).split(sep)
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# Work out how much of the filepath is shared by start and path.
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i = len(commonprefix([start_list, path_list]))
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rel_list = [pardir] * (len(start_list)-i) + path_list[i:]
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if not rel_list:
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return curdir
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return join(*rel_list)
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elif 'nt' in sys.builtin_module_names:
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def relpath(path, start=os.path.curdir):
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"""Return a relative version of a path"""
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from os.path import sep, curdir, join, abspath, commonprefix, \
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pardir, splitunc
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if not path:
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raise ValueError("no path specified")
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start_list = abspath(start).split(sep)
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path_list = abspath(path).split(sep)
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if start_list[0].lower() != path_list[0].lower():
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unc_path, rest = splitunc(path)
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unc_start, rest = splitunc(start)
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if bool(unc_path) ^ bool(unc_start):
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raise ValueError("Cannot mix UNC and non-UNC paths (%s and %s)"
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% (path, start))
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else:
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raise ValueError("path is on drive %s, start on drive %s"
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% (path_list[0], start_list[0]))
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# Work out how much of the filepath is shared by start and path.
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for i in range(min(len(start_list), len(path_list))):
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if start_list[i].lower() != path_list[i].lower():
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break
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else:
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i += 1
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rel_list = [pardir] * (len(start_list)-i) + path_list[i:]
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if not rel_list:
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return curdir
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return join(*rel_list)
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else:
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raise RuntimeError("Unsupported platform (no relpath available!)")
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#------------------------------------------------------------------------------
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# Registration hook
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#------------------------------------------------------------------------------
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def plot_directive(name, arguments, options, content, lineno,
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content_offset, block_text, state, state_machine):
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return run(arguments, content, options, state_machine, state, lineno)
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plot_directive.__doc__ = __doc__
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def _option_boolean(arg):
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if not arg or not arg.strip():
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# no argument given, assume used as a flag
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return True
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elif arg.strip().lower() in ('no', '0', 'false'):
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return False
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elif arg.strip().lower() in ('yes', '1', 'true'):
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return True
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else:
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raise ValueError('"%s" unknown boolean' % arg)
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def _option_format(arg):
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return directives.choice(arg, ('python', 'doctest'))
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def _option_align(arg):
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return directives.choice(arg, ("top", "middle", "bottom", "left", "center",
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"right"))
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def mark_plot_labels(app, document):
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"""
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To make plots referenceable, we need to move the reference from
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the "htmlonly" (or "latexonly") node to the actual figure node
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itself.
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"""
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for name, explicit in document.nametypes.items():
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if not explicit:
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continue
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labelid = document.nameids[name]
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if labelid is None:
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continue
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node = document.ids[labelid]
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if node.tagname in ('html_only', 'latex_only'):
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for n in node:
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if n.tagname == 'figure':
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sectname = name
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for c in n:
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if c.tagname == 'caption':
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sectname = c.astext()
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break
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node['ids'].remove(labelid)
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node['names'].remove(name)
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n['ids'].append(labelid)
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n['names'].append(name)
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document.settings.env.labels[name] = \
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document.settings.env.docname, labelid, sectname
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break
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def setup(app):
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setup.app = app
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setup.config = app.config
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setup.confdir = app.confdir
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options = {'alt': directives.unchanged,
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'height': directives.length_or_unitless,
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'width': directives.length_or_percentage_or_unitless,
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'scale': directives.nonnegative_int,
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'align': _option_align,
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'class': directives.class_option,
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'include-source': _option_boolean,
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'format': _option_format,
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'context': directives.flag,
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'nofigs': directives.flag,
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'encoding': directives.encoding
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}
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app.add_directive('plot', plot_directive, True, (0, 2, False), **options)
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app.add_config_value('plot_pre_code', None, True)
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app.add_config_value('plot_include_source', False, True)
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app.add_config_value('plot_formats', ['png', 'hires.png', 'pdf'], True)
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app.add_config_value('plot_basedir', None, True)
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app.add_config_value('plot_html_show_formats', True, True)
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app.add_config_value('plot_rcparams', {}, True)
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app.connect('doctree-read', mark_plot_labels)
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#------------------------------------------------------------------------------
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# Doctest handling
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#------------------------------------------------------------------------------
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def contains_doctest(text):
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try:
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# check if it's valid Python as-is
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compile(text, '<string>', 'exec')
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return False
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except SyntaxError:
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pass
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r = re.compile(r'^\s*>>>', re.M)
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m = r.search(text)
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return bool(m)
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def unescape_doctest(text):
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"""
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Extract code from a piece of text, which contains either Python code
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or doctests.
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"""
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if not contains_doctest(text):
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return text
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code = ""
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for line in text.split("\n"):
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m = re.match(r'^\s*(>>>|\.\.\.) (.*)$', line)
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if m:
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code += m.group(2) + "\n"
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elif line.strip():
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code += "# " + line.strip() + "\n"
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else:
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code += "\n"
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return code
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def split_code_at_show(text):
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"""
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Split code at plt.show()
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"""
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parts = []
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is_doctest = contains_doctest(text)
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part = []
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for line in text.split("\n"):
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if (not is_doctest and line.strip() == 'plt.show()') or \
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(is_doctest and line.strip() == '>>> plt.show()'):
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part.append(line)
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parts.append("\n".join(part))
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part = []
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else:
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part.append(line)
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if "\n".join(part).strip():
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parts.append("\n".join(part))
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return parts
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#------------------------------------------------------------------------------
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# Template
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#------------------------------------------------------------------------------
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TEMPLATE = """
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{{ source_code }}
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{{ only_html }}
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{% if source_link or (html_show_formats and not multi_image) %}
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(
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{%- if source_link -%}
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`Source code <{{ source_link }}>`__
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{%- endif -%}
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{%- if html_show_formats and not multi_image -%}
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{%- for img in images -%}
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{%- for fmt in img.formats -%}
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{%- if source_link or not loop.first -%}, {% endif -%}
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`{{ fmt }} <{{ dest_dir }}/{{ img.basename }}.{{ fmt }}>`__
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{%- endfor -%}
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{%- endfor -%}
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{%- endif -%}
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)
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{% endif %}
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{% for img in images %}
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.. figure:: {{ build_dir }}/{{ img.basename }}.png
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{%- for option in options %}
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{{ option }}
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{% endfor %}
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{% if html_show_formats and multi_image -%}
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(
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{%- for fmt in img.formats -%}
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{%- if not loop.first -%}, {% endif -%}
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`{{ fmt }} <{{ dest_dir }}/{{ img.basename }}.{{ fmt }}>`__
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{%- endfor -%}
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)
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{%- endif -%}
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{{ caption }}
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{% endfor %}
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{{ only_latex }}
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{% for img in images %}
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.. image:: {{ build_dir }}/{{ img.basename }}.pdf
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{% endfor %}
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"""
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exception_template = """
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.. htmlonly::
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[`source code <%(linkdir)s/%(basename)s.py>`__]
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Exception occurred rendering plot.
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"""
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# the context of the plot for all directives specified with the
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# :context: option
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plot_context = dict()
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class ImageFile:
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def __init__(self, basename, dirname):
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self.basename = basename
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self.dirname = dirname
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self.formats = []
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def filename(self, format):
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return os.path.join(self.dirname, "%s.%s" % (self.basename, format))
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def filenames(self):
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return [self.filename(fmt) for fmt in self.formats]
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def out_of_date(original, derived):
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"""
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Returns True if derivative is out-of-date wrt original,
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both of which are full file paths.
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"""
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return (not os.path.exists(derived) or
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(os.path.exists(original) and
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os.stat(derived).st_mtime < os.stat(original).st_mtime))
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class PlotError(RuntimeError):
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pass
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def run_code(code, code_path, ns=None, function_name=None):
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"""
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Import a Python module from a path, and run the function given by
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name, if function_name is not None.
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"""
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# Change the working directory to the directory of the example, so
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# it can get at its data files, if any. Add its path to sys.path
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# so it can import any helper modules sitting beside it.
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pwd = os.getcwd()
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old_sys_path = list(sys.path)
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if code_path is not None:
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dirname = os.path.abspath(os.path.dirname(code_path))
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os.chdir(dirname)
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sys.path.insert(0, dirname)
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# Redirect stdout
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stdout = sys.stdout
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sys.stdout = io.StringIO()
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# Reset sys.argv
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old_sys_argv = sys.argv
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sys.argv = [code_path]
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try:
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try:
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code = unescape_doctest(code)
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if ns is None:
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ns = {}
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if not ns:
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if setup.config.plot_pre_code is None:
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exec("import numpy as np\nfrom matplotlib import pyplot as plt\n", ns)
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else:
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exec(setup.config.plot_pre_code, ns)
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if "__main__" in code:
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exec("__name__ = '__main__'", ns)
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exec(code, ns)
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if function_name is not None:
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exec(function_name + "()", ns)
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except (Exception, SystemExit) as err:
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raise PlotError(traceback.format_exc())
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finally:
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os.chdir(pwd)
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sys.argv = old_sys_argv
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sys.path[:] = old_sys_path
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sys.stdout = stdout
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return ns
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def clear_state(plot_rcparams):
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plt.close('all')
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matplotlib.rc_file_defaults()
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matplotlib.rcParams.update(plot_rcparams)
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def render_figures(code, code_path, output_dir, output_base, context,
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function_name, config):
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"""
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Run a pyplot script and save the low and high res PNGs and a PDF
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in outdir.
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Save the images under *output_dir* with file names derived from
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*output_base*
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"""
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# -- Parse format list
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default_dpi = {'png': 80, 'hires.png': 200, 'pdf': 200}
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formats = []
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plot_formats = config.plot_formats
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if isinstance(plot_formats, str):
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plot_formats = eval(plot_formats)
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for fmt in plot_formats:
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if isinstance(fmt, str):
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formats.append((fmt, default_dpi.get(fmt, 80)))
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elif type(fmt) in (tuple, list) and len(fmt)==2:
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formats.append((str(fmt[0]), int(fmt[1])))
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else:
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raise PlotError('invalid image format "%r" in plot_formats' % fmt)
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# -- Try to determine if all images already exist
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code_pieces = split_code_at_show(code)
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# Look for single-figure output files first
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# Look for single-figure output files first
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all_exists = True
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img = ImageFile(output_base, output_dir)
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for format, dpi in formats:
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if out_of_date(code_path, img.filename(format)):
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all_exists = False
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break
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img.formats.append(format)
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if all_exists:
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return [(code, [img])]
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# Then look for multi-figure output files
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results = []
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all_exists = True
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for i, code_piece in enumerate(code_pieces):
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|
images = []
|
|
for j in range(1000):
|
|
if len(code_pieces) > 1:
|
|
img = ImageFile('%s_%02d_%02d' % (output_base, i, j), output_dir)
|
|
else:
|
|
img = ImageFile('%s_%02d' % (output_base, j), output_dir)
|
|
for format, dpi in formats:
|
|
if out_of_date(code_path, img.filename(format)):
|
|
all_exists = False
|
|
break
|
|
img.formats.append(format)
|
|
|
|
# assume that if we have one, we have them all
|
|
if not all_exists:
|
|
all_exists = (j > 0)
|
|
break
|
|
images.append(img)
|
|
if not all_exists:
|
|
break
|
|
results.append((code_piece, images))
|
|
|
|
if all_exists:
|
|
return results
|
|
|
|
# We didn't find the files, so build them
|
|
|
|
results = []
|
|
if context:
|
|
ns = plot_context
|
|
else:
|
|
ns = {}
|
|
|
|
for i, code_piece in enumerate(code_pieces):
|
|
if not context:
|
|
clear_state(config.plot_rcparams)
|
|
run_code(code_piece, code_path, ns, function_name)
|
|
|
|
images = []
|
|
fig_managers = _pylab_helpers.Gcf.get_all_fig_managers()
|
|
for j, figman in enumerate(fig_managers):
|
|
if len(fig_managers) == 1 and len(code_pieces) == 1:
|
|
img = ImageFile(output_base, output_dir)
|
|
elif len(code_pieces) == 1:
|
|
img = ImageFile("%s_%02d" % (output_base, j), output_dir)
|
|
else:
|
|
img = ImageFile("%s_%02d_%02d" % (output_base, i, j),
|
|
output_dir)
|
|
images.append(img)
|
|
for format, dpi in formats:
|
|
try:
|
|
figman.canvas.figure.savefig(img.filename(format), dpi=dpi)
|
|
except Exception as err:
|
|
raise PlotError(traceback.format_exc())
|
|
img.formats.append(format)
|
|
|
|
results.append((code_piece, images))
|
|
|
|
if not context:
|
|
clear_state(config.plot_rcparams)
|
|
|
|
return results
|
|
|
|
def run(arguments, content, options, state_machine, state, lineno):
|
|
# The user may provide a filename *or* Python code content, but not both
|
|
if arguments and content:
|
|
raise RuntimeError("plot:: directive can't have both args and content")
|
|
|
|
document = state_machine.document
|
|
config = document.settings.env.config
|
|
nofigs = 'nofigs' in options
|
|
|
|
options.setdefault('include-source', config.plot_include_source)
|
|
context = 'context' in options
|
|
|
|
rst_file = document.attributes['source']
|
|
rst_dir = os.path.dirname(rst_file)
|
|
|
|
if len(arguments):
|
|
if not config.plot_basedir:
|
|
source_file_name = os.path.join(setup.app.builder.srcdir,
|
|
directives.uri(arguments[0]))
|
|
else:
|
|
source_file_name = os.path.join(setup.app.builder.srcdir, config.plot_basedir,
|
|
directives.uri(arguments[0]))
|
|
|
|
# If there is content, it will be passed as a caption.
|
|
caption = '\n'.join(content)
|
|
|
|
# If the optional function name is provided, use it
|
|
if len(arguments) == 2:
|
|
function_name = arguments[1]
|
|
else:
|
|
function_name = None
|
|
|
|
fd = open(source_file_name, 'r')
|
|
code = fd.read()
|
|
fd.close()
|
|
output_base = os.path.basename(source_file_name)
|
|
else:
|
|
source_file_name = rst_file
|
|
code = textwrap.dedent("\n".join(map(str, content)))
|
|
counter = document.attributes.get('_plot_counter', 0) + 1
|
|
document.attributes['_plot_counter'] = counter
|
|
base, ext = os.path.splitext(os.path.basename(source_file_name))
|
|
output_base = '%s-%d.py' % (base, counter)
|
|
function_name = None
|
|
caption = ''
|
|
|
|
base, source_ext = os.path.splitext(output_base)
|
|
if source_ext in ('.py', '.rst', '.txt'):
|
|
output_base = base
|
|
else:
|
|
source_ext = ''
|
|
|
|
# ensure that LaTeX includegraphics doesn't choke in foo.bar.pdf filenames
|
|
output_base = output_base.replace('.', '-')
|
|
|
|
# is it in doctest format?
|
|
is_doctest = contains_doctest(code)
|
|
if 'format' in options:
|
|
if options['format'] == 'python':
|
|
is_doctest = False
|
|
else:
|
|
is_doctest = True
|
|
|
|
# determine output directory name fragment
|
|
source_rel_name = relpath(source_file_name, setup.app.srcdir)
|
|
source_rel_dir = os.path.dirname(source_rel_name)
|
|
while source_rel_dir.startswith(os.path.sep):
|
|
source_rel_dir = source_rel_dir[1:]
|
|
|
|
# build_dir: where to place output files (temporarily)
|
|
build_dir = os.path.join(os.path.dirname(setup.app.doctreedir),
|
|
'plot_directive',
|
|
source_rel_dir)
|
|
# get rid of .. in paths, also changes pathsep
|
|
# see note in Python docs for warning about symbolic links on Windows.
|
|
# need to compare source and dest paths at end
|
|
build_dir = os.path.normpath(build_dir)
|
|
|
|
if not os.path.exists(build_dir):
|
|
os.makedirs(build_dir)
|
|
|
|
# output_dir: final location in the builder's directory
|
|
dest_dir = os.path.abspath(os.path.join(setup.app.builder.outdir,
|
|
source_rel_dir))
|
|
if not os.path.exists(dest_dir):
|
|
os.makedirs(dest_dir) # no problem here for me, but just use built-ins
|
|
|
|
# how to link to files from the RST file
|
|
dest_dir_link = os.path.join(relpath(setup.app.srcdir, rst_dir),
|
|
source_rel_dir).replace(os.path.sep, '/')
|
|
build_dir_link = relpath(build_dir, rst_dir).replace(os.path.sep, '/')
|
|
source_link = dest_dir_link + '/' + output_base + source_ext
|
|
|
|
# make figures
|
|
try:
|
|
results = render_figures(code, source_file_name, build_dir, output_base,
|
|
context, function_name, config)
|
|
errors = []
|
|
except PlotError as err:
|
|
reporter = state.memo.reporter
|
|
sm = reporter.system_message(
|
|
2, "Exception occurred in plotting %s\n from %s:\n%s" % (output_base,
|
|
source_file_name, err),
|
|
line=lineno)
|
|
results = [(code, [])]
|
|
errors = [sm]
|
|
|
|
# Properly indent the caption
|
|
caption = '\n'.join(' ' + line.strip()
|
|
for line in caption.split('\n'))
|
|
|
|
# generate output restructuredtext
|
|
total_lines = []
|
|
for j, (code_piece, images) in enumerate(results):
|
|
if options['include-source']:
|
|
if is_doctest:
|
|
lines = ['']
|
|
lines += [row.rstrip() for row in code_piece.split('\n')]
|
|
else:
|
|
lines = ['.. code-block:: python', '']
|
|
lines += [' %s' % row.rstrip()
|
|
for row in code_piece.split('\n')]
|
|
source_code = "\n".join(lines)
|
|
else:
|
|
source_code = ""
|
|
|
|
if nofigs:
|
|
images = []
|
|
|
|
opts = [':%s: %s' % (key, val) for key, val in list(options.items())
|
|
if key in ('alt', 'height', 'width', 'scale', 'align', 'class')]
|
|
|
|
only_html = ".. only:: html"
|
|
only_latex = ".. only:: latex"
|
|
|
|
if j == 0:
|
|
src_link = source_link
|
|
else:
|
|
src_link = None
|
|
|
|
result = format_template(
|
|
TEMPLATE,
|
|
dest_dir=dest_dir_link,
|
|
build_dir=build_dir_link,
|
|
source_link=src_link,
|
|
multi_image=len(images) > 1,
|
|
only_html=only_html,
|
|
only_latex=only_latex,
|
|
options=opts,
|
|
images=images,
|
|
source_code=source_code,
|
|
html_show_formats=config.plot_html_show_formats,
|
|
caption=caption)
|
|
|
|
total_lines.extend(result.split("\n"))
|
|
total_lines.extend("\n")
|
|
|
|
if total_lines:
|
|
state_machine.insert_input(total_lines, source=source_file_name)
|
|
|
|
# copy image files to builder's output directory, if necessary
|
|
if not os.path.exists(dest_dir):
|
|
cbook.mkdirs(dest_dir)
|
|
|
|
for code_piece, images in results:
|
|
for img in images:
|
|
for fn in img.filenames():
|
|
destimg = os.path.join(dest_dir, os.path.basename(fn))
|
|
if fn != destimg:
|
|
shutil.copyfile(fn, destimg)
|
|
|
|
# copy script (if necessary)
|
|
#if source_file_name == rst_file:
|
|
target_name = os.path.join(dest_dir, output_base + source_ext)
|
|
f = open(target_name, 'w')
|
|
f.write(unescape_doctest(code))
|
|
f.close()
|
|
|
|
return errors
|