ci: add docformatter in pyproject.toml

doc/source/manual_resources/tui_mno_bond_lengths.py

@@ -1,6 +1,7 @@
 #!/usr/bin/env python
 
-"""Extract the shortest Mn-O bond lengths from all fits in PDFgui project.
+"""Extract the shortest Mn-O bond lengths from all fits in PDFgui
+project.
 
 This script loops through all refined phases in PDFgui project and
 calculates their shortest Mn-O bond lengths using diffpy.pdffit2

pyproject.toml

@@ -81,3 +81,7 @@ exclude = '''
   | tests/data
 )/
 '''
+[tool.docformatter]
+recursive = true
+wrap-summaries = 72
+wrap-descriptions = 72

src/diffpy/pdfgui/applications/pdfgui.py

@@ -54,9 +54,9 @@ def version():
 
 
 def processArguments(argv1):
-    """Process command line arguments and store results in pdfguiglobals. This
-    method updates cmdopts, cmdargs and dbopts attributes in the pdfguiglobals
-    module.
+    """Process command line arguments and store results in
+    pdfguiglobals. This method updates cmdopts, cmdargs and dbopts
+    attributes in the pdfguiglobals module.
 
     argv1   -- list of command line arguments excluding the executable
 

src/diffpy/pdfgui/control/calculation.py

@@ -12,7 +12,8 @@
 # See LICENSE.txt for license information.
 #
 ##############################################################################
-"""Class Calculation for performing PDF simulation from model structure."""
+"""Class Calculation for performing PDF simulation from model
+structure."""
 
 import copy
 import math
@@ -76,8 +77,8 @@ def _getStrId(self):
         return "c_" + self.name
 
     def setRGrid(self, rmin=None, rstep=None, rmax=None):
-        """Change specified r-grid parameters (rmin, rstep, rmax). Adjust rmax
-        for integer number of steps.
+        """Change specified r-grid parameters (rmin, rstep, rmax).
+        Adjust rmax for integer number of steps.
 
         rmin  -- new low rcalc boundary
         rstep -- new r-grid step

src/diffpy/pdfgui/control/constraint.py

@@ -12,8 +12,8 @@
 # See LICENSE.txt for license information.
 #
 ##############################################################################
-"""Class Constraint for storage of a single constraint equation constraints
-will be stored in { variable : constraint } dictionary."""
+"""Class Constraint for storage of a single constraint equation
+constraints will be stored in { variable : constraint } dictionary."""
 
 import math
 import re
@@ -67,8 +67,8 @@ def evalFormula(self, parvalues):
         return result
 
     def lambdaFormula(self):
-        """Build lambda function from constraint formula. Lambda function
-        expects dictionary argument.
+        """Build lambda function from constraint formula. Lambda
+        function expects dictionary argument.
 
         returns lambda function
         """

src/diffpy/pdfgui/control/controlerrors.py

@@ -42,7 +42,8 @@ class ControlFileError(ControlError):
 
 
 class ControlKeyError(ControlError):
-    """PDFGuiControl exception class -- requested object can't be found."""
+    """PDFGuiControl exception class -- requested object can't be
+    found."""
 
     pass
 
@@ -66,7 +67,8 @@ class ControlStatusError(ControlError):
 
 
 class ControlRuntimeError(ControlError):
-    """PDFGuiControl exception class -- various irrecoverable runtime error."""
+    """PDFGuiControl exception class -- various irrecoverable runtime
+    error."""
 
     pass
 
@@ -85,8 +87,8 @@ class ControlSyntaxError(ControlError):
 
 
 class TempControlSelectError(ControlError):
-    """Temporary define this error to identify the select-control error in
-    python3."""
+    """Temporary define this error to identify the select-control error
+    in python3."""
 
     pass
 

src/diffpy/pdfgui/control/fitdataset.py

@@ -26,8 +26,8 @@
 
 
 class FitDataSet(PDFDataSet):
-    """FitDataSet stores experimental and calculated PDF data and related
-    fitting parameters.  Inherited from PDFDataSet.
+    """FitDataSet stores experimental and calculated PDF data and
+    related fitting parameters.  Inherited from PDFDataSet.
 
     Data members (in addition to those in PDFDataSet):
 
@@ -204,8 +204,8 @@ def read(self, filename):
         return self.readObs(filename)
 
     def _updateRcalcRange(self):
-        """Helper method for updating fitrmin, fitrmax and fitrstep just after
-        reading observed values.
+        """Helper method for updating fitrmin, fitrmax and fitrstep just
+        after reading observed values.
 
         No return value.
         """
@@ -243,7 +243,8 @@ def readObsStr(self, datastring):
         return self
 
     def write(self, filename):
-        """Same as writeCalc().  Use writeObs() to save experimental PDF data.
+        """Same as writeCalc().  Use writeObs() to save experimental PDF
+        data.
 
         filename -- name of file to write to
 
@@ -266,7 +267,8 @@ def writeCalc(self, filename):
         return
 
     def writeStr(self):
-        """Same as writeCalcStr.  Use writeObsStr() for experimental PDF.
+        """Same as writeCalcStr.  Use writeObsStr() for experimental
+        PDF.
 
         Return data string.
         """
@@ -377,9 +379,9 @@ def writeResampledObsStr(self):
         return s
 
     def findParameters(self):
-        """Obtain dictionary of parameters used by self.constraints. The keys
-        of returned dictionary are integer parameter indices, and their values
-        Parameter instances, with guessed initial values.
+        """Obtain dictionary of parameters used by self.constraints. The
+        keys of returned dictionary are integer parameter indices, and
+        their values Parameter instances, with guessed initial values.
 
         returns dictionary of indices and Parameter instances
         """
@@ -527,9 +529,9 @@ def save(self, z, subpath):
     # interface for data sampling
 
     def getFitSamplingType(self):
-        """Description of r-sampling used in the fit.  This method compares
-        self.fitrstep with r-sampling in the observed data and with Nyquist r
-        step.
+        """Description of r-sampling used in the fit.  This method
+        compares self.fitrstep with r-sampling in the observed data and
+        with Nyquist r step.
 
         Return a string, possible values are "data", "Nyquist" or
         "custom".
@@ -568,7 +570,8 @@ def setFitSamplingType(self, tp, value=None):
         return
 
     def getObsSampling(self):
-        """Return the average r-step used in robs or zero when not defined."""
+        """Return the average r-step used in robs or zero when not
+        defined."""
         n = len(self.robs)
         if n > 1:
             rv = (self.robs[-1] - self.robs[0]) / (n - 1.0)
@@ -577,7 +580,8 @@ def getObsSampling(self):
         return rv
 
     def getNyquistSampling(self):
-        """Return r-step corresponding to Nyquist sampling at the qmax value.
+        """Return r-step corresponding to Nyquist sampling at the qmax
+        value.
 
         When qmax is zero, return r-step in the observed data.
         """
@@ -590,9 +594,9 @@ def getNyquistSampling(self):
     # Property Attributes
 
     def _updateRcalcSampling(self):
-        """Helper method for resampling rcalc and interpolating related data.
-        This method interpolates Gcalc, dGcalc, Gtrunc, dGtrunc, crw to new r
-        grid.
+        """Helper method for resampling rcalc and interpolating related
+        data. This method interpolates Gcalc, dGcalc, Gtrunc, dGtrunc,
+        crw to new r grid.
 
         No return value.
         """
@@ -815,8 +819,8 @@ def _linear_interpolation(x0, y0, x1, youtleft, youtright):
 
 
 def grid_interpolation(x0, y0, x1, left=None, right=None, tp=None):
-    """Interpolate values from one grid onto another using either linear or
-    Whittaker–Shannon interpolation.
+    """Interpolate values from one grid onto another using either linear
+    or Whittaker–Shannon interpolation.
 
     Parameters
     ----------