polishing
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7ce208019c
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@ -63,25 +63,25 @@ def curlFFT(geomdim,field):
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# MAIN
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# MAIN
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# --------------------------------------------------------------------
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# --------------------------------------------------------------------
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog option(s) [ASCIItable(s)]', description = """
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Add column(s) containing curl of requested column(s).
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Add column(s) containing curl of requested column(s).
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Operates on periodic ordered three-dimensional data sets.
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Operates on periodic ordered three-dimensional data sets.
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Deals with both vector- and tensor-valued fields.
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Deals with both vector- and tensor fields.
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""", version = scriptID)
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""", version = scriptID)
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parser.add_option('-c','--coordinates',
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parser.add_option('-p','--pos','--periodiccellcenter'
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dest = 'coords',
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dest = 'coords',
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type = 'string', metavar = 'string',
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type = 'string', metavar = 'string',
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help = 'column label of coordinates [%default]')
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help = 'label of coordinates [%default]')
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parser.add_option('-v','--vector',
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parser.add_option('-v','--vector',
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dest = 'vector',
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dest = 'vector',
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action = 'extend', metavar = '<string LIST>',
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action = 'extend', metavar = '<string LIST>',
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help = 'column label(s) of vector field values')
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help = 'label(s) of vector field values')
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parser.add_option('-t','--tensor',
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parser.add_option('-t','--tensor',
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dest = 'tensor',
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dest = 'tensor',
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action = 'extend', metavar = '<string LIST>',
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action = 'extend', metavar = '<string LIST>',
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help = 'column label(s) of tensor field values')
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help = 'label(s) of tensor field values')
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parser.set_defaults(coords = 'pos',
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parser.set_defaults(coords = 'pos',
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)
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)
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@ -91,7 +91,7 @@ parser.set_defaults(coords = 'pos',
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if options.vector is None and options.tensor is None:
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if options.vector is None and options.tensor is None:
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parser.error('no data column specified.')
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parser.error('no data column specified.')
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# --- loop over input files -------------------------------------------------------------------------
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# --- loop over input files ------------------------------------------------------------------------
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if filenames == []: filenames = [None]
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if filenames == []: filenames = [None]
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@ -148,7 +148,7 @@ for name in filenames:
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maxcorner = np.array(map(max,coords))
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maxcorner = np.array(map(max,coords))
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grid = np.array(map(len,coords),'i')
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grid = np.array(map(len,coords),'i')
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size = grid/np.maximum(np.ones(3,'d'), grid-1.0) * (maxcorner-mincorner) # size from edge to edge = dim * n/(n-1)
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size = grid/np.maximum(np.ones(3,'d'), grid-1.0) * (maxcorner-mincorner) # size from edge to edge = dim * n/(n-1)
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size = np.where(grid > 1, size, min(size[grid > 1]/grid[grid > 1]))
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size = np.where(grid > 1, size, min(size[grid > 1]/grid[grid > 1])) # spacing for grid==1 equal to smallest among other ones
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# ------------------------------------------ process value field -----------------------------------
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# ------------------------------------------ process value field -----------------------------------
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@ -19,7 +19,7 @@ def divFFT(geomdim,field):
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div_fourier = np.empty(field_fourier.shape[0:len(np.shape(field))-1],'c16') # size depents on whether tensor or vector
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div_fourier = np.empty(field_fourier.shape[0:len(np.shape(field))-1],'c16') # size depents on whether tensor or vector
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# differentiation in Fourier space
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# differentiation in Fourier space
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k_s=np.zeros([3],'i')
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k_s = np.zeros([3],'i')
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TWOPIIMG = 2.0j*math.pi
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TWOPIIMG = 2.0j*math.pi
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for i in xrange(grid[2]):
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for i in xrange(grid[2]):
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k_s[0] = i
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k_s[0] = i
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@ -49,25 +49,25 @@ def divFFT(geomdim,field):
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# MAIN
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# MAIN
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# --------------------------------------------------------------------
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# --------------------------------------------------------------------
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog option(s) [ASCIItable(s)]', description = """
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Add column(s) containing divergence of requested column(s).
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Add column(s) containing divergence of requested column(s).
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Operates on periodic ordered three-dimensional data sets.
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Operates on periodic ordered three-dimensional data sets.
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Deals with both vector- and tensor-valued fields.
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Deals with both vector- and tensor-valued fields.
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""", version = scriptID)
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""", version = scriptID)
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parser.add_option('-c','--coordinates',
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parser.add_option('-p','--pos','--periodiccellcenter'
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dest = 'coords',
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dest = 'coords',
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type = 'string', metavar = 'string',
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type = 'string', metavar = 'string',
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help = 'column label of coordinates [%default]')
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help = 'label of coordinates [%default]')
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parser.add_option('-v','--vector',
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parser.add_option('-v','--vector',
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dest = 'vector',
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dest = 'vector',
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action = 'extend', metavar = '<string LIST>',
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action = 'extend', metavar = '<string LIST>',
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help = 'column label(s) of vector field values')
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help = 'label(s) of vector field values')
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parser.add_option('-t','--tensor',
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parser.add_option('-t','--tensor',
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dest = 'tensor',
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dest = 'tensor',
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action = 'extend', metavar = '<string LIST>',
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action = 'extend', metavar = '<string LIST>',
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help = 'column label(s) of tensor field values')
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help = 'label(s) of tensor field values')
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parser.set_defaults(coords = 'pos',
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parser.set_defaults(coords = 'pos',
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)
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)
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@ -14,6 +14,7 @@ def gradFFT(geomdim,field):
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grid = np.array(np.shape(field)[2::-1])
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grid = np.array(np.shape(field)[2::-1])
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N = grid.prod() # field size
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N = grid.prod() # field size
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n = np.array(np.shape(field)[3:]).prod() # data size
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n = np.array(np.shape(field)[3:]).prod() # data size
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if n == 3: dataType = 'vector'
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if n == 3: dataType = 'vector'
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elif n == 1: dataType = 'scalar'
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elif n == 1: dataType = 'scalar'
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@ -52,27 +53,27 @@ def gradFFT(geomdim,field):
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# MAIN
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# MAIN
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# --------------------------------------------------------------------
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# --------------------------------------------------------------------
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog option(s) [ASCIItable(s)]', description = """
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Add column(s) containing gradient of requested column(s).
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Add column(s) containing gradient of requested column(s).
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Operates on periodic ordered three-dimensional data sets.
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Operates on periodic ordered three-dimensional data sets.
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Deals with both vector- and scalar fields.
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Deals with both vector- and scalar fields.
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""", version = scriptID)
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""", version = scriptID)
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parser.add_option('-c','--coordinates',
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parser.add_option('-p','--pos','--periodiccellcenter'
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dest = 'coords',
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dest = 'coords',
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type = 'string', metavar='string',
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type = 'string', metavar = 'string',
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help = 'column heading for coordinates [%default]')
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help = 'label of coordinates [%default]')
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parser.add_option('-v','--vector',
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parser.add_option('-v','--vector',
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dest = 'vector',
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dest = 'vector',
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action = 'extend', metavar = '<string LIST>',
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action = 'extend', metavar = '<string LIST>',
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help = 'heading of columns containing vector field values')
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help = 'label(s) of vector field values')
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parser.add_option('-s','--scalar',
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parser.add_option('-s','--scalar',
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dest = 'scalar',
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dest = 'scalar',
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action = 'extend', metavar = '<string LIST>',
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action = 'extend', metavar = '<string LIST>',
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help = 'heading of columns containing scalar field values')
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help = 'label(s) of scalar field values')
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parser.set_defaults(coords = 'ipinitialcoord',
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parser.set_defaults(coords = 'pos',
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)
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)
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(options,filenames) = parser.parse_args()
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(options,filenames) = parser.parse_args()
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@ -137,7 +138,7 @@ for name in filenames:
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maxcorner = np.array(map(max,coords))
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maxcorner = np.array(map(max,coords))
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grid = np.array(map(len,coords),'i')
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grid = np.array(map(len,coords),'i')
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size = grid/np.maximum(np.ones(3,'d'), grid-1.0) * (maxcorner-mincorner) # size from edge to edge = dim * n/(n-1)
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size = grid/np.maximum(np.ones(3,'d'), grid-1.0) * (maxcorner-mincorner) # size from edge to edge = dim * n/(n-1)
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size = np.where(grid > 1, size, min(size[grid > 1]/grid[grid > 1]))
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size = np.where(grid > 1, size, min(size[grid > 1]/grid[grid > 1])) # spacing for grid==1 equal to smallest among other ones
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# ------------------------------------------ process value field -----------------------------------
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# ------------------------------------------ process value field -----------------------------------
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@ -19,9 +19,9 @@ Adds header to OIM grain file to make it accesible as ASCII table
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parser.add_option('-l', '--labels',
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parser.add_option('-l', '--labels',
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dest = 'labels',
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dest = 'labels',
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help = 'lables for requested columns')
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help = 'lables of requested columns')
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parser.set_defaults(labels = ['1_eulerangles','2_eulerangles','3_eulerangles',
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parser.set_defaults(labels = ['1_euler','2_euler','3_euler',
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'1_pos','2_pos', 'IQ', 'CI', 'Fit', 'GrainID',],
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'1_pos','2_pos', 'IQ', 'CI', 'Fit', 'GrainID',],
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)
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)
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