File: sphinx.py

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import os
import re
import runpy
import traceback
import warnings
from os.path import join
from pathlib import Path
from stat import ST_MTIME
from subprocess import DEVNULL, CalledProcessError, check_call

from docutils import nodes
from docutils.parsers.rst.roles import set_classes


def mol_role(role, rawtext, text, lineno, inliner, options={}, content=[]):
    n = []
    t = ''
    while text:
        if text[0] == '_':
            n.append(nodes.inline(text=t))
            t = ''
            m = re.match(r'\d+', text[1:])
            if m is None:
                raise RuntimeError('Expected one or more digits after "_"')
            digits = m.group()
            n.append(nodes.subscript(text=digits))
            text = text[1 + len(digits) :]
        else:
            t += text[0]
            text = text[1:]
    n.append(nodes.inline(text=t))
    return n, []


def git_role_tmpl(
    urlroot, role, rawtext, text, lineno, inliner, options={}, content=[]
):
    env = inliner.document.settings.env
    srcdir = Path(env.srcdir)
    project_root = srcdir.parent
    # The asserts below are commented out because this role template
    # is also used by other projects, such as GPAW and Asap.
    # assert srcdir.name == 'doc'
    # assert project_root.name == 'ase'

    if text[-1] == '>':
        i = text.index('<')
        name = text[: i - 1]
        text = text[i + 1 : -1]
    else:
        name = text
        if name[0] == '~':
            name = name.split('/')[-1]
            text = text[1:]
        if '?' in name:
            name = name[: name.index('?')]

    # Check if the link is broken
    is_tag = text.startswith('..')  # Tags are like :git:`3.19.1 <../3.19.1>`
    path = project_root / text

    if not (is_tag or path.exists()):
        msg = f'Broken link: {rawtext}: Non-existing path: {path}'
        msg = inliner.reporter.error(msg, line=lineno)
        prb = inliner.problematic(rawtext, rawtext, msg)
        return [prb], [msg]
    ref = urlroot + text
    set_classes(options)
    node = nodes.reference(rawtext, name, refuri=ref, **options)
    return [node], []


def git_role(role, rawtext, text, lineno, inliner, options={}, content=[]):
    return git_role_tmpl(
        'https://gitlab.com/ase/ase/blob/master/',
        role,
        rawtext,
        text,
        lineno,
        inliner,
        options,
        content,
    )


def setup(app):
    app.add_role('mol', mol_role)
    app.add_role('git', git_role)
    create_png_files()


def creates():
    """Generator for Python scripts and their output filenames."""
    for dirpath, dirnames, filenames in sorted(os.walk('.')):
        if dirpath.startswith('./build'):
            # Skip files in the build/ folder
            continue

        for filename in sorted(filenames):
            if filename.endswith('.py'):
                path = join(dirpath, filename)
                with open(path) as fd:
                    lines = fd.readlines()
                if len(lines) == 0:
                    continue
                if 'coding: utf-8' in lines[0]:
                    lines.pop(0)
                outnames = []
                for line in lines:
                    if line.startswith('# creates:'):
                        outnames.extend(
                            [file.rstrip(',') for file in line.split()[2:]]
                        )
                    else:
                        break
                if outnames:
                    yield dirpath, filename, outnames


def create_png_files(raise_exceptions=False):
    from ase.utils import workdir

    try:
        check_call(['povray', '-h'], stderr=DEVNULL)
    except (FileNotFoundError, CalledProcessError):
        warnings.warn('No POVRAY!')
        # Replace write_pov with write_png:
        from ase.io import pov
        from ase.io.png import write_png

        def write_pov(
            filename,
            atoms,
            povray_settings={},
            isosurface_data=None,
            **generic_projection_settings,
        ):
            write_png(
                Path(filename).with_suffix('.png'),
                atoms,
                **generic_projection_settings,
            )

            class DummyRenderer:
                def render(self):
                    pass

            return DummyRenderer()

        pov.write_pov = write_pov

    for dir, pyname, outnames in creates():
        path = join(dir, pyname)
        t0 = os.stat(path)[ST_MTIME]
        run = False
        for outname in outnames:
            try:
                t = os.stat(join(dir, outname))[ST_MTIME]
            except OSError:
                run = True
                break
            else:
                if t < t0:
                    run = True
                    break
        if run:
            print('running:', path)
            with workdir(dir):
                import matplotlib.pyplot as plt

                plt.figure()
                try:
                    runpy.run_path(pyname)
                except KeyboardInterrupt:
                    return
                except Exception:
                    if raise_exceptions:
                        raise
                    else:
                        traceback.print_exc()

            for n in plt.get_fignums():
                plt.close(n)

            for outname in outnames:
                print(dir, outname)


def clean():
    """Remove all generated files."""
    for dir, pyname, outnames in creates():
        for outname in outnames:
            if os.path.isfile(os.path.join(dir, outname)):
                os.remove(os.path.join(dir, outname))


def visual_inspection():
    """Manually inspect generated files."""
    import subprocess

    images = []
    text = []
    pdf = []
    for dir, pyname, outnames in creates():
        for outname in outnames:
            path = os.path.join(dir, outname)
            ext = path.rsplit('.', 1)[1]
            if ext == 'pdf':
                pdf.append(path)
            elif ext in ['csv', 'txt', 'out', 'css', 'LDA', 'rst']:
                text.append(path)
            else:
                images.append(path)
    subprocess.call(['eog'] + images)
    subprocess.call(['evince'] + pdf)
    subprocess.call(['more'] + text)


if __name__ == '__main__':
    import argparse

    parser = argparse.ArgumentParser(description='Process generated files.')
    parser.add_argument(
        'command',
        nargs='?',
        default='list',
        choices=['list', 'inspect', 'clean', 'run'],
    )
    args = parser.parse_args()
    if args.command == 'clean':
        clean()
    elif args.command == 'list':
        for dir, pyname, outnames in creates():
            for outname in outnames:
                print(os.path.join(dir, outname))
    elif args.command == 'run':
        create_png_files(raise_exceptions=True)
    else:
        visual_inspection()