black edits

conda-recipe/expandpdfguibase.py

@@ -3,13 +3,13 @@
 import sys
 from pkg_resources import Requirement, resource_filename
 
-pkg = Requirement.parse('diffpy.pdfgui')
-PDFGUIPATH = resource_filename(pkg, '')
+pkg = Requirement.parse("diffpy.pdfgui")
+PDFGUIPATH = resource_filename(pkg, "")
 assert PDFGUIPATH.lower().startswith(sys.prefix.lower())
-PDFGUIBASE = PDFGUIPATH[len(sys.prefix):].replace('\\', '/').strip('/')
+PDFGUIBASE = PDFGUIPATH[len(sys.prefix) :].replace("\\", "/").strip("/")
 
 if __name__ == "__main__":
     with open(sys.argv[1]) as fp:
         content = fp.read()
-    output = content.replace('@PDFGUIBASE@', PDFGUIBASE)
+    output = content.replace("@PDFGUIBASE@", PDFGUIBASE)
     sys.stdout.write(output)

conda-recipe/run_test.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
 
 import diffpy.pdfgui.tests
+
 assert diffpy.pdfgui.tests.testdeps().wasSuccessful()

setup.py

@@ -15,27 +15,29 @@
 
 # Use this version when git data are not available, like in git zip archive.
 # Update when tagging a new release.
-FALLBACK_VERSION = '2.0.4'
+FALLBACK_VERSION = "2.0.4"
 
 # determine if we run with Python 3.
-PY3 = (sys.version_info[0] == 3)
+PY3 = sys.version_info[0] == 3
 
 # versioncfgfile holds version data for git commit hash and date.
 # It must reside in the same directory as version.py.
 MYDIR = os.path.dirname(os.path.abspath(__file__))
-versioncfgfile = os.path.join(MYDIR, 'src/diffpy/pdfgui/version.cfg')
-gitarchivecfgfile = os.path.join(MYDIR, '.gitarchive.cfg')
+versioncfgfile = os.path.join(MYDIR, "src/diffpy/pdfgui/version.cfg")
+gitarchivecfgfile = os.path.join(MYDIR, ".gitarchive.cfg")
+
 
 def gitinfo():
     from subprocess import Popen, PIPE
+
     kw = dict(stdout=PIPE, cwd=MYDIR, universal_newlines=True)
-    proc = Popen(['git', 'describe', '--tags', '--match=v[[:digit:]]*'], **kw)
+    proc = Popen(["git", "describe", "--tags", "--match=v[[:digit:]]*"], **kw)
     desc = proc.stdout.read()
-    proc = Popen(['git', 'log', '-1', '--format=%H %ct %ci'], **kw)
+    proc = Popen(["git", "log", "-1", "--format=%H %ct %ci"], **kw)
     glog = proc.stdout.read()
     rv = {}
-    rv['version'] = '.post'.join(desc.strip().split('-')[:2]).lstrip('v')
-    rv['commit'], rv['timestamp'], rv['date'] = glog.strip().split(None, 2)
+    rv["version"] = ".post".join(desc.strip().split("-")[:2]).lstrip("v")
+    rv["commit"], rv["timestamp"], rv["date"] = glog.strip().split(None, 2)
     return rv
 
 
@@ -44,19 +46,19 @@ def getversioncfg():
         from configparser import RawConfigParser
     else:
         from ConfigParser import RawConfigParser
-    vd0 = dict(version=FALLBACK_VERSION, commit='', date='', timestamp=0)
+    vd0 = dict(version=FALLBACK_VERSION, commit="", date="", timestamp=0)
     # first fetch data from gitarchivecfgfile, ignore if it is unexpanded
     g = vd0.copy()
     cp0 = RawConfigParser(vd0)
     cp0.read(gitarchivecfgfile)
-    if len(cp0.get('DEFAULT', 'commit')) > 20:
+    if len(cp0.get("DEFAULT", "commit")) > 20:
         g = cp0.defaults()
-        mx = re.search(r'\btag: v(\d[^,]*)', g.pop('refnames'))
+        mx = re.search(r"\btag: v(\d[^,]*)", g.pop("refnames"))
         if mx:
-            g['version'] = mx.group(1)
+            g["version"] = mx.group(1)
     # then try to obtain version data from git.
-    gitdir = os.path.join(MYDIR, '.git')
-    if os.path.exists(gitdir) or 'GIT_DIR' in os.environ:
+    gitdir = os.path.join(MYDIR, ".git")
+    if os.path.exists(gitdir) or "GIT_DIR" in os.environ:
         try:
             g = gitinfo()
         except OSError:
@@ -65,94 +67,97 @@ def getversioncfg():
     cp = RawConfigParser()
     cp.read(versioncfgfile)
     d = cp.defaults()
-    rewrite = not d or (g['commit'] and (
-        g['version'] != d.get('version') or g['commit'] != d.get('commit')))
+    rewrite = not d or (
+        g["commit"]
+        and (g["version"] != d.get("version") or g["commit"] != d.get("commit"))
+    )
     if rewrite:
-        cp.set('DEFAULT', 'version', g['version'])
-        cp.set('DEFAULT', 'commit', g['commit'])
-        cp.set('DEFAULT', 'date', g['date'])
-        cp.set('DEFAULT', 'timestamp', g['timestamp'])
-        with open(versioncfgfile, 'w') as fp:
+        cp.set("DEFAULT", "version", g["version"])
+        cp.set("DEFAULT", "commit", g["commit"])
+        cp.set("DEFAULT", "date", g["date"])
+        cp.set("DEFAULT", "timestamp", g["timestamp"])
+        with open(versioncfgfile, "w") as fp:
             cp.write(fp)
     return cp
 
+
 versiondata = getversioncfg()
 
 
 def dirglob(d, *patterns):
     from glob import glob
+
     rv = []
     for p in patterns:
         rv += glob(os.path.join(d, p))
     return rv
 
 
-with open(os.path.join(MYDIR, 'README.rst')) as fp:
+with open(os.path.join(MYDIR, "README.rst")) as fp:
     long_description = fp.read()
 
 # define distribution
 setup_args = dict(
-    name = 'diffpy.pdfgui',
-    version='3.0.5',
-    packages = find_packages(os.path.join(MYDIR, 'src')),
-    package_dir = {'' : 'src'},
-    include_package_data = True,
-    test_suite = 'diffpy.pdfgui.tests',
-    entry_points = {
-        'gui_scripts': [
-            'pdfgui=diffpy.pdfgui.applications.pdfgui:main',
+    name="diffpy.pdfgui",
+    version="3.0.5",
+    packages=find_packages(os.path.join(MYDIR, "src")),
+    package_dir={"": "src"},
+    include_package_data=True,
+    test_suite="diffpy.pdfgui.tests",
+    entry_points={
+        "gui_scripts": [
+            "pdfgui=diffpy.pdfgui.applications.pdfgui:main",
         ],
     },
-    data_files = [
-        ('icons', dirglob('icons', '*.png', '*.ico')),
-        ('doc', dirglob('doc', '*.pdf')),
-        ('doc/manual', dirglob('doc/manual', '*.html', '*.pdf')),
-        ('doc/manual/images', dirglob('doc/manual/images', '*.png')),
-        ('doc/tutorial', dirglob('doc/tutorial', '*')),
+    data_files=[
+        ("icons", dirglob("icons", "*.png", "*.ico")),
+        ("doc", dirglob("doc", "*.pdf")),
+        ("doc/manual", dirglob("doc/manual", "*.html", "*.pdf")),
+        ("doc/manual/images", dirglob("doc/manual/images", "*.png")),
+        ("doc/tutorial", dirglob("doc/tutorial", "*")),
     ],
     # manual and tutorial files should not be zipped
-    zip_safe = False,
-    install_requires = [
-        'six',
-        'diffpy.structure>=3',
-        'diffpy.pdffit2',
-        'diffpy.utils',
+    zip_safe=False,
+    install_requires=[
+        "six",
+        "diffpy.structure>=3",
+        "diffpy.pdffit2",
+        "diffpy.utils",
     ],
-
-    author = 'Simon J.L. Billinge',
-    author_email = '[email protected]',
-    maintainer = 'Pavol Juhas',
-    maintainer_email = '[email protected]',
-    url = 'https://github.com/diffpy/diffpy.pdfgui',
-    description = "GUI for PDF simulation and structure refinement.",
-    long_description = long_description,
-    long_description_content_type = 'text/x-rst',
-    license = 'BSD',
-    keywords = 'PDF structure refinement GUI',
-    classifiers = [
+    author="Simon J.L. Billinge",
+    author_email="[email protected]",
+    maintainer="Pavol Juhas",
+    maintainer_email="[email protected]",
+    url="https://github.com/diffpy/diffpy.pdfgui",
+    description="GUI for PDF simulation and structure refinement.",
+    long_description=long_description,
+    long_description_content_type="text/x-rst",
+    license="BSD",
+    keywords="PDF structure refinement GUI",
+    classifiers=[
         # List of possible values at
         # http://pypi.python.org/pypi?:action=list_classifiers
-        'Development Status :: 5 - Production/Stable',
-        'Environment :: MacOS X',
-        'Environment :: Win32 (MS Windows)',
-        'Environment :: X11 Applications',
-        'Intended Audience :: Science/Research',
-        'License :: OSI Approved :: BSD License',
-        'Operating System :: MacOS',
-        'Operating System :: Microsoft :: Windows',
-        'Operating System :: POSIX',
-        'Programming Language :: Python :: 2.7',
-        'Programming Language :: Python :: 3.7',
-        'Programming Language :: Python :: 3.8',
-        'Programming Language :: Python :: 3.9',
-        'Programming Language :: Python :: 3.10',
-        'Programming Language :: Python :: 3.10',
-        'Topic :: Scientific/Engineering :: Chemistry',
-        'Topic :: Scientific/Engineering :: Physics',
+        "Development Status :: 5 - Production/Stable",
+        "Environment :: MacOS X",
+        "Environment :: Win32 (MS Windows)",
+        "Environment :: X11 Applications",
+        "Intended Audience :: Science/Research",
+        "License :: OSI Approved :: BSD License",
+        "Operating System :: MacOS",
+        "Operating System :: Microsoft :: Windows",
+        "Operating System :: POSIX",
+        "Programming Language :: Python :: 2.7",
+        "Programming Language :: Python :: 3.7",
+        "Programming Language :: Python :: 3.8",
+        "Programming Language :: Python :: 3.9",
+        "Programming Language :: Python :: 3.10",
+        "Programming Language :: Python :: 3.10",
+        "Topic :: Scientific/Engineering :: Chemistry",
+        "Topic :: Scientific/Engineering :: Physics",
     ],
 )
 
-if __name__ == '__main__':
+if __name__ == "__main__":
     setup(**setup_args)
 
 # End of file

src/diffpy/__init__.py

@@ -20,6 +20,7 @@
 
 
 from pkgutil import extend_path
+
 __path__ = extend_path(__path__, __name__)
 
 

src/diffpy/pdfgui/__init__.py

@@ -13,9 +13,9 @@
 #
 ##############################################################################
 
-'''Constants:
+"""Constants:
     __version__ -- full version of this PDFgui release
-'''
+"""
 
 
 from diffpy.pdfgui.version import __version__

src/diffpy/pdfgui/applications/pdfgui.py

@@ -40,8 +40,7 @@
 
 
 def usage():
-    """Show usage info.
-    """
+    """Show usage info."""
     myname = os.path.basename(sys.argv[0])
     msg = __doc__.replace("pdfgui", myname)
     print(msg)
@@ -50,12 +49,13 @@ def usage():
 
 def version():
     from diffpy.pdfgui import __version__
+
     print("PDFgui", __version__)
     return
 
 
 def processArguments(argv1):
-    '''Process command line arguments and store results in pdfguiglobals.
+    """Process command line arguments and store results in pdfguiglobals.
     This method updates cmdopts, cmdargs and dbopts attributes in the
     pdfguiglobals module.
 
@@ -66,13 +66,13 @@ def processArguments(argv1):
     Raises GetoptError for invalid options.
     Raises ValueError for more than one project file arguments or
     when project is not a valid file.
-    '''
+    """
     from diffpy.pdfgui.gui import pdfguiglobals
+
     dbopts = pdfguiglobals.dbopts
-    dboptions = [('db-' + o[0]) for o in dbopts.alldebugoptions]
+    dboptions = [("db-" + o[0]) for o in dbopts.alldebugoptions]
     # default parameters
-    opts, args = getopt.gnu_getopt(sys.argv[1:], "hV",
-                ["help", "version"] + dboptions)
+    opts, args = getopt.gnu_getopt(sys.argv[1:], "hV", ["help", "version"] + dboptions)
     # process options
     proceed = True
     for o, a in opts:
@@ -82,13 +82,14 @@ def processArguments(argv1):
         elif o in ("-V", "--version"):
             version()
             proceed = False
-        elif o.startswith('--') and o[2:] in dboptions:
+        elif o.startswith("--") and o[2:] in dboptions:
             # strip "--db-"
             dbo = o[5:]
             setattr(dbopts, dbo, True)
     pdfguiglobals.cmdopts = opts
     # bail-out here if options contain --help or --version
-    if not proceed:     return False
+    if not proceed:
+        return False
     # otherwise continue checking arguments
     if len(args) == 1 and not os.path.isfile(args[0]):
         emsg = "Project file %s does not exist." % args[0]
@@ -102,8 +103,7 @@ def processArguments(argv1):
 
 
 def main():
-    '''Main entry point to  PDFgui.
-    '''
+    """Main entry point to  PDFgui."""
     # process arguments
     proceed = False
     try:
@@ -112,12 +112,15 @@ def main():
         print(err, file=sys.stderr)
         sys.exit(1)
     # bail out when no gui is needed
-    if not proceed:     sys.exit()
+    if not proceed:
+        sys.exit()
     # initialize gui
     import diffpy.pdfgui.gui.main as guimain
+
     # Catch control errors, that may happen during project
     # loading, before the GUI gets running
     from diffpy.pdfgui.control.controlerrors import ControlError
+
     try:
         guimain.main()
     except ControlError as err: