Remove unused imports and unused local variables.

Stuff reported by pyflakes.

Author: pavoljuhas

diffpy/Structure/Parsers/P_bratoms.py

@@ -16,9 +16,6 @@
 """Parser for Bruce Ravel's Atoms structure format
 """
 
-import sys
-import numpy
-
 from diffpy.Structure import Lattice, Atom, StructureFormatError
 from diffpy.Structure.bratomsstructure import BRAtomsStructure
 from diffpy.Structure.Parsers import StructureParser
@@ -44,7 +41,6 @@ def parseLines(self, lines):
         atoms = []
         title = ""
         anext = False
-        sg = None
         structure = BRAtomsStructure()
         meta = structure.bratoms
         pdict = dict.fromkeys(self.plist)
@@ -134,7 +130,7 @@ def parseLines(self, lines):
 
                     atoms.append(a)
 
-        except (ValueError, IndexError), e:
+        except (ValueError, IndexError):
             emsg = "%d: file is not in Atoms format" % ln
             raise StructureFormatError(emsg)
 

diffpy/Structure/Parsers/P_discus.py

@@ -17,9 +17,8 @@
 """
 
 import sys
-import numpy
 
-from diffpy.Structure import PDFFitStructure, Lattice, Atom
+from diffpy.Structure import PDFFitStructure, Lattice
 from diffpy.Structure import StructureFormatError
 from diffpy.Structure.Parsers import StructureParser
 

diffpy/Structure/Parsers/P_pdb.py

@@ -25,7 +25,7 @@
 import numpy
 from numpy import pi
 
-from diffpy.Structure import Structure, Lattice, Atom
+from diffpy.Structure import Structure
 from diffpy.Structure import StructureFormatError
 from diffpy.Structure.Parsers import StructureParser
 
@@ -117,7 +117,6 @@ def parseLines(self, lines):
                 elif record in ("ATOM", "HETATM"):
                     name = line[12:16].strip()
                     rc = [float(x) for x in line[30:54].split()]
-                    xyz = numpy.dot(scale, rc) + scaleU
                     try:
                         occupancy = float(line[54:60])
                     except ValueError:

diffpy/Structure/Parsers/P_pdffit.py

@@ -19,7 +19,7 @@
 import sys
 import numpy
 
-from diffpy.Structure import PDFFitStructure, Lattice, Atom
+from diffpy.Structure import PDFFitStructure, Lattice
 from diffpy.Structure import StructureFormatError
 from diffpy.Structure.Parsers import StructureParser
 
@@ -42,7 +42,6 @@ def parseLines(self, lines):
         Return Structure object or raise StructureFormatError.
         """
         p_nl = 0
-        rlist = []
         try:
             self.stru = PDFFitStructure()
             stru = self.stru

diffpy/Structure/Parsers/P_rawxyz.py

@@ -20,7 +20,7 @@
 
 import sys
 
-from diffpy.Structure import Structure, Lattice, Atom
+from diffpy.Structure import Structure
 from diffpy.Structure import StructureFormatError
 from diffpy.Structure.utils import isfloat
 from diffpy.Structure.Parsers import StructureParser

diffpy/Structure/Parsers/P_xcfg.py

@@ -19,7 +19,7 @@
 import re
 import numpy
 
-from diffpy.Structure import Structure, Lattice, Atom
+from diffpy.Structure import Structure
 from diffpy.Structure import StructureFormatError
 from diffpy.Structure.utils import isfloat
 from diffpy.Structure.Parsers import StructureParser
@@ -174,7 +174,6 @@ def parseLines(self, lines):
         xcfg_H0_set = numpy.zeros((3,3), dtype=bool)
         xcfg_NO_VELOCITY = False
         xcfg_entry_count = None
-        xcfg_auxiliary = []
         p_nl = 0
         p_auxiliary_re = re.compile(r"^auxiliary\[(\d+)\] =")
         p_auxiliary = {}

diffpy/Structure/Parsers/P_xyz.py

@@ -21,7 +21,7 @@
 
 import sys
 
-from diffpy.Structure import Structure, Lattice, Atom
+from diffpy.Structure import Structure
 from diffpy.Structure import StructureFormatError
 from diffpy.Structure.Parsers import StructureParser
 

diffpy/Structure/Parsers/__init__.py

@@ -43,6 +43,7 @@ def getParser(format):
         emsg = "no parser for '%s' format" % format
         raise StructureFormatError(emsg)
     pmod = parser_index[format]['module']
+    pm = None
     import_cmd = 'from diffpy.Structure.Parsers import %s as pm' % pmod
     exec(import_cmd)
     return pm.getParser()

diffpy/Structure/__init__.py

@@ -30,7 +30,8 @@
 # interface definitions
 ##############################################################################
 
-from diffpy.Structure.StructureErrors import *
+from diffpy.Structure.StructureErrors import (StructureFormatError,
+        LatticeError, SymmetryError, IsotropyError)
 from diffpy.Structure.atom import Atom
 from diffpy.Structure.lattice import Lattice
 from diffpy.Structure.structure import Structure

diffpy/Structure/applications/transtru.py

@@ -32,8 +32,6 @@
 """
 
 import sys
-import os
-import re
 
 from diffpy.Structure import Structure, StructureFormatError
 
@@ -54,7 +52,6 @@ def usage(style = None):
 
 def version():
     from diffpy.Structure import __version__
-    print __id__
     print "diffpy.Structure", __version__
 
 def main():

diffpy/Structure/atom.py

@@ -18,7 +18,6 @@
 
 import numpy
 from diffpy.Structure.lattice import cartesian as cartesian_lattice
-from diffpy.Structure import IsotropyError
 
 # conversion constants
 _BtoU = 1.0/(8 * numpy.pi**2)

diffpy/Structure/expansion/makeEllipsoid.py

@@ -17,7 +17,7 @@
 
 from math import ceil
 from numpy import array
-from diffpy.Structure import Structure, Atom
+from diffpy.Structure import Structure
 from diffpy.Structure.expansion.shapeUtils import findCenter
 
 def makeSphere(S, radius):

diffpy/Structure/expansion/shapeUtils.py

@@ -36,6 +36,7 @@ def findCenter(S):
 
 
 if __name__ == "__main__":
+    # FIXME ... remove or convert to unit test 
     import os.path
     datadir = "../../tests/testdata"
     S = Structure()

diffpy/Structure/lattice.py

@@ -21,7 +21,6 @@
 """
 
 import math
-import types
 import numpy
 import numpy.linalg as numalg
 from diffpy.Structure import LatticeError
@@ -172,12 +171,12 @@ def setLatPar(self, a=None, b=None, c=None,
         self._car = car = (cb*cg - ca)/(sb*sg)
         self._cbr = cbr = (ca*cg - cb)/(sa*sg)
         self._cgr = cgr = (ca*cb - cg)/(sa*sb)
-        self._sar = sar = math.sqrt(1.0 - car*car)
-        self._sbr = sbr = math.sqrt(1.0 - cbr*cbr)
+        self._sar = math.sqrt(1.0 - car*car)
+        self._sbr = math.sqrt(1.0 - cbr*cbr)
         self._sgr = sgr = math.sqrt(1.0 - cgr*cgr)
-        self._alphar = alphar = math.degrees(math.acos(car))
-        self._betar = betar = math.degrees(math.acos(cbr))
-        self._gammar = gammar = math.degrees(math.acos(cgr))
+        self._alphar = math.degrees(math.acos(car))
+        self._betar = math.degrees(math.acos(cbr))
+        self._gammar = math.degrees(math.acos(cgr))
         # metric tensor
         self.metrics = numpy.array( [
                 [ self.a*self.a,     self.a*self.b*cg,  self.a*self.c*cb ],
@@ -239,8 +238,8 @@ def setLatBase(self, base):
         self._car = car = (cb*cg - ca)/(sb*sg)
         self._cbr = cbr = (ca*cg - cb)/(sa*sg)
         self._cgr = cgr = (ca*cb - cg)/(sa*sb)
-        self._sar = sar = math.sqrt(1.0 - car**2)
-        self._sbr = sbr = math.sqrt(1.0 - cbr**2)
+        self._sar = math.sqrt(1.0 - car**2)
+        self._sbr = math.sqrt(1.0 - cbr**2)
         self._sgr = sgr = math.sqrt(1.0 - cgr**2)
         self._alphar = math.degrees(math.acos(car))
         self._betar = math.degrees(math.acos(cbr))

diffpy/Structure/tests/TestLattice.py

@@ -42,10 +42,9 @@ def assertListAlmostEqual(self, l1, l2, places=None):
     def test_setLatPar(self):
         """check calculation of standard unit cell vectors"""
         from numpy import dot
-        from math import radians, sqrt, cos, sin
+        from math import radians, sqrt, cos
         norm = lambda x : sqrt(sum([xi**2 for xi in x]))
         cosd = lambda x : cos(radians(x))
-        sind = lambda x : sin(radians(x))
         self.lattice.setLatPar(1.0, 2.0, 3.0, 80, 100, 120)
         base = self.lattice.base
         self.assertAlmostEqual(1.0, norm(base[0]), self.places)

diffpy/Structure/tests/TestP_cif.py

@@ -16,11 +16,10 @@
 """Unit tests for diffpy.Structure.Parsers.P_cif module
 """
 
-import os
 import unittest
 
 from diffpy.Structure.tests.testutils import datafile
-from diffpy.Structure.Parsers.P_cif import *
+from diffpy.Structure.Parsers.P_cif import P_cif, leading_float, getSymOp
 from diffpy.Structure import Structure
 from diffpy.Structure import StructureFormatError
 

diffpy/Structure/tests/TestP_discus.py

@@ -17,7 +17,6 @@
 """
 
 import unittest
-import os
 import re
 
 from diffpy.Structure.tests.testutils import datafile

diffpy/Structure/tests/TestP_pdffit.py

@@ -17,7 +17,6 @@
 """
 
 import unittest
-import os
 import re
 
 from diffpy.Structure.tests.testutils import datafile

diffpy/Structure/tests/TestParsers.py

@@ -284,7 +284,7 @@ def test_writeStr_cif(self):
         """check conversion to CIF string"""
         stru = self.stru
         stru.read(datafile('GaAs.inp'), 'bratoms')
-        s_s = stru.writeStr(self.format)
+        stru.writeStr(self.format)
 
     def test_read_bratoms_bad(self):
         """check exceptions when reading invalid bratoms file"""

diffpy/Structure/tests/TestStructure.py

@@ -17,13 +17,12 @@
 """
 
 
-import os
 import copy
 import unittest
 import numpy
 
 from diffpy.Structure.tests.testutils import datafile
-from diffpy.Structure import Structure, StructureFormatError
+from diffpy.Structure import Structure
 from diffpy.Structure import Lattice
 from diffpy.Structure import Atom
 

diffpy/Structure/tests/TestSuperCell.py

@@ -17,7 +17,6 @@
 """
 
 
-import os
 import unittest
 
 from diffpy.Structure.tests.testutils import datafile

diffpy/Structure/tests/TestSymmetryUtilities.py

@@ -16,14 +16,14 @@
 """Unit tests for SymmetryUtilities.py
 """
 
-import os
 import sys
 import unittest
 import numpy
 
-from diffpy.Structure.tests.testutils import datafile
 from diffpy.Structure.SpaceGroups import GetSpaceGroup
-from diffpy.Structure.SymmetryUtilities import *
+from diffpy.Structure.SymmetryUtilities import (isSpaceGroupLatPar,
+        expandPosition, pruneFormulaDictionary, isconstantFormula,
+        GeneratorSite, ExpandAsymmetricUnit, SymmetryConstraints)
 from diffpy.Structure.SymmetryUtilities import _Position2Tuple
 
 ##############################################################################
@@ -202,7 +202,6 @@ def test_positionFormula(self):
         self.assertEqual([("x", self.x)], self.g117h.pparameters)
         # 143c
         pfm143c = self.g143c.positionFormula(self.g143c.xyz)
-        places = 12
         self.assertEqual("+2/3", pfm143c["x"])
         self.assertEqual("+1/3", pfm143c["y"])
         self.assertEqual("z", pfm143c["z"])

diffpy/Structure/tests/__init__.py

@@ -35,6 +35,7 @@ def testsuite():
     '''.split()
     suite = unittest.TestSuite()
     loader = unittest.defaultTestLoader
+    mobj = None
     for mname in modulenames:
         exec ('import %s as mobj' % mname)
         suite.addTests(loader.loadTestsFromModule(mobj))

diffpy/Structure/utils.py

@@ -22,7 +22,7 @@
 def isfloat(s):
     """True if argument can be converted to float"""
     try:
-        x = float(s)
+        float(s)
         return True
     except ValueError:
         pass

setup.py

@@ -18,6 +18,7 @@
 versioncfgfile = os.path.join(MYDIR, 'diffpy/Structure/version.cfg')
 gitarchivecfgfile = versioncfgfile.replace('version.cfg', 'gitarchive.cfg')
 
+
 def gitinfo():
     from subprocess import Popen, PIPE
     kw = dict(stdout=PIPE, cwd=MYDIR)
@@ -85,7 +86,7 @@ def getversioncfg():
         maintainer = 'Pavol Juhas',
         maintainer_email = 'pavol.juhas@gmail.com',
         url = 'https://github.com/diffpy/diffpy.Structure',
-        description = "Crystal structure container " + \
+        description = "Crystal structure container "
                       "and parsers for structure formats.",
         license = 'BSD-style license',
         keywords = "crystal Structure data storage CIF PDB",