DAMASK_EICMD/processing/post/addGradient.py

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#!/usr/bin/env python3
import os
import sys
from io import StringIO
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
Add column(s) containing gradient of requested column(s).
Operates on periodic ordered three-dimensional data sets of scalar and vector fields.
""", version = scriptID)
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parser.add_option('-p','--pos','--periodiccellcenter',
dest = 'pos',
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type = 'string', metavar = 'string',
help = 'label of coordinates [%default]')
parser.add_option('-l','--label',
dest = 'labels',
action = 'extend', metavar = '<string LIST>',
help = 'label(s) of field values')
parser.set_defaults(pos = 'pos',
)
(options,filenames) = parser.parse_args()
if filenames == []: filenames = [None]
if options.labels is None: parser.error('no data column specified.')
for name in filenames:
damask.util.report(scriptName,name)
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
grid,size = damask.util.coordGridAndSize(table.get_array(options.pos))
for label in options.labels:
field = table.get_array(label)
shape = (1,) if np.prod(field.shape)//np.prod(grid) == 1 else (3,) # scalar or vector
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field = field.reshape(np.append(grid[::-1],shape))
table.add_array('gradFFT({})'.format(label),
damask.grid_filters.gradient(size[::-1],field).reshape((-1,np.prod(shape)*3)),
scriptID+' '+' '.join(sys.argv[1:]))
table.to_ASCII(sys.stdout if name is None else name)