skpkg: autofixes with linelength 79

Author: cadenmyers13

doc/source/examples/distanceprinter.py

@@ -16,7 +16,10 @@ def _resetValue(self):
 
     def _addPairContribution(self, bnds, sumscale):
         self.count += bnds.multiplicity() * sumscale / 2.0
-        print("%i %g %i %i" % (self.count, bnds.distance(), bnds.site0(), bnds.site1()))
+        print(
+            "%i %g %i %i"
+            % (self.count, bnds.distance(), bnds.site0(), bnds.site1())
+        )
         return
 
 

doc/source/examples/parallelPDF.py

@@ -25,7 +25,11 @@
 
 # configure options parsing
 parser = optparse.OptionParser("%prog [options]\n" + __doc__)
-parser.add_option("--pyobjcryst", action="store_true", help="Use pyobjcryst to load the CIF file.")
+parser.add_option(
+    "--pyobjcryst",
+    action="store_true",
+    help="Use pyobjcryst to load the CIF file.",
+)
 parser.allow_interspersed_args = True
 opts, args = parser.parse_args(sys.argv[1:])
 

setup.py

@@ -37,7 +37,8 @@ def get_boost_config():
         conda_prefix = os.environ.get("CONDA_PREFIX")
         if not conda_prefix:
             raise EnvironmentError(
-                "Neither BOOST_PATH nor CONDA_PREFIX are set. " "Please install Boost or set BOOST_PATH."
+                "Neither BOOST_PATH nor CONDA_PREFIX are set. "
+                "Please install Boost or set BOOST_PATH."
             )
         if os.name == "nt":
             inc = Path(conda_prefix) / "Library" / "include"
@@ -99,7 +100,11 @@ def get_objcryst_libraries():
 
 def create_extensions():
     "Initialize Extension objects for the setup function."
-    ext = Extension("diffpy.srreal.srreal_ext", glob.glob("src/extensions/*.cpp"), **ext_kws)
+    ext = Extension(
+        "diffpy.srreal.srreal_ext",
+        glob.glob("src/extensions/*.cpp"),
+        **ext_kws,
+    )
     return [ext]
 
 

src/diffpy/srreal/devutils/tunePeakPrecision.py

@@ -108,7 +108,9 @@ def comparePDFCalculators(qmax, peakprecision=None):
     rv = {}
     rv["qmax"] = qmax
     rv["peakprecision"] = (
-        peakprecision is None and PDFCalculator()._getDoubleAttr("peakprecision") or peakprecision
+        peakprecision is None
+        and PDFCalculator()._getDoubleAttr("peakprecision")
+        or peakprecision
     )
     ttic = time.clock()
     rg0 = Gpdffit2(qmax)
@@ -175,7 +177,10 @@ def main():
     processCommandLineArguments()
     cmpdata = comparePDFCalculators(qmax, peakprecision)
     print(
-        ("qmax = %(qmax)g  pkprec = %(peakprecision)g  " + "grmsd = %(grmsd)g  t0 = %(t0).3f  t1 = %(t1).3f")
+        (
+            "qmax = %(qmax)g  pkprec = %(peakprecision)g  "
+            + "grmsd = %(grmsd)g  t0 = %(t0).3f  t1 = %(t1).3f"
+        )
         % cmpdata
     )
     if createplot:

src/diffpy/srreal/parallel.py

@@ -163,7 +163,9 @@ def proxymethod(self, *args, **kwargs):
         return proxymethod
 
     for n, f in inspect.getmembers(pqtype, inspect.isroutine):
-        ignore = n not in proxy_forced and (n.startswith("_") or hasattr(ParallelPairQuantity, n))
+        ignore = n not in proxy_forced and (
+            n.startswith("_") or hasattr(ParallelPairQuantity, n)
+        )
         if ignore:
             continue
         setattr(ParallelPairQuantity, n, _make_proxymethod(n, f))

src/diffpy/srreal/pdfbaseline.py

@@ -85,7 +85,9 @@ def fshiftedline(x, aline, bline):
     """
     from diffpy.srreal.wraputils import _wrapAsRegisteredUnaryFunction
 
-    rv = _wrapAsRegisteredUnaryFunction(PDFBaseline, name, fnc, replace=replace, **dbattrs)
+    rv = _wrapAsRegisteredUnaryFunction(
+        PDFBaseline, name, fnc, replace=replace, **dbattrs
+    )
     return rv
 
 

src/diffpy/srreal/pdfenvelope.py

@@ -115,7 +115,9 @@ def fexpdecay(x, expscale, exptail):
     """
     from diffpy.srreal.wraputils import _wrapAsRegisteredUnaryFunction
 
-    rv = _wrapAsRegisteredUnaryFunction(PDFEnvelope, name, fnc, replace=replace, **dbattrs)
+    rv = _wrapAsRegisteredUnaryFunction(
+        PDFEnvelope, name, fnc, replace=replace, **dbattrs
+    )
     return rv
 
 

src/diffpy/srreal/peakwidthmodel.py

@@ -20,7 +20,12 @@
 
 
 # exported items
-__all__ = ["PeakWidthModel", "ConstantPeakWidth", "DebyeWallerPeakWidth", "JeongPeakWidth"]
+__all__ = [
+    "PeakWidthModel",
+    "ConstantPeakWidth",
+    "DebyeWallerPeakWidth",
+    "JeongPeakWidth",
+]
 
 from diffpy.srreal import _final_imports
 from diffpy.srreal.srreal_ext import (

src/diffpy/srreal/scatteringfactortable.py

@@ -17,7 +17,14 @@
 
 
 # exported items, these also makes them show in pydoc.
-__all__ = ["ScatteringFactorTable", "SFTXray", "SFTElectron", "SFTNeutron", "SFTElectronNumber", "SFAverage"]
+__all__ = [
+    "ScatteringFactorTable",
+    "SFTXray",
+    "SFTElectron",
+    "SFTNeutron",
+    "SFTElectronNumber",
+    "SFAverage",
+]
 
 from diffpy.srreal.sfaverage import SFAverage
 from diffpy.srreal.srreal_ext import (

src/diffpy/srreal/sfaverage.py

@@ -150,7 +150,11 @@ def fromComposition(cls, composition, sftb, q=0):
         sfa.f1sum = 0.0 * q
         sfa.f2sum = 0.0 * q
         # resolve the lookup table object `tb`
-        tb = sftb if not isinstance(sftb, str) else ScatteringFactorTable.createByType(sftb)
+        tb = (
+            sftb
+            if not isinstance(sftb, str)
+            else ScatteringFactorTable.createByType(sftb)
+        )
         for smbl, cnt in sfa.composition.items():
             sfq = tb.lookup(smbl, q)
             sfa.f1sum += cnt * sfq