75 lines
2.7 KiB
Python
Executable File
75 lines
2.7 KiB
Python
Executable File
#!/usr/bin/env python3
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import os
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import sys
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from io import StringIO
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from optparse import OptionParser
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import numpy as np
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import damask
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scriptName = os.path.splitext(os.path.basename(__file__))[0]
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scriptID = ' '.join([scriptName,damask.version])
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def derivative(coordinates,what):
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result = np.empty_like(what)
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# use differentiation by interpolation
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# as described in http://www2.math.umd.edu/~dlevy/classes/amsc466/lecture-notes/differentiation-chap.pdf
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result[1:-1,:] = + what[1:-1,:] * (2.*coordinates[1:-1]-coordinates[:-2]-coordinates[2:]) / \
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((coordinates[1:-1]-coordinates[:-2])*(coordinates[1:-1]-coordinates[2:])) \
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+ what[2:,:] * (coordinates[1:-1]-coordinates[:-2]) / \
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((coordinates[2:]-coordinates[1:-1])*(coordinates[2:]-coordinates[:-2])) \
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+ what[:-2,:] * (coordinates[1:-1]-coordinates[2:]) / \
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((coordinates[:-2]-coordinates[1:-1])*(coordinates[:-2]-coordinates[2:])) \
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result[0,:] = (what[0,:] - what[1,:]) / \
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(coordinates[0] - coordinates[1])
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result[-1,:] = (what[-1,:] - what[-2,:]) / \
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(coordinates[-1] - coordinates[-2])
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return result
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# --------------------------------------------------------------------
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# MAIN
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# --------------------------------------------------------------------
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
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Add column(s) containing numerical derivative of requested column(s) with respect to given coordinates.
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""", version = scriptID)
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parser.add_option('-c','--coordinates',
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dest = 'coordinates',
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type = 'string', metavar='string',
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help = 'heading of coordinate column')
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parser.add_option('-l','--label',
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dest = 'labels',
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action = 'extend', metavar = '<string LIST>',
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help = 'heading of column(s) to differentiate')
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(options,filenames) = parser.parse_args()
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if filenames == []: filenames = [None]
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if options.coordinates is None:
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parser.error('no coordinate column specified.')
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if options.labels is None:
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parser.error('no data column specified.')
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for name in filenames:
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damask.util.report(scriptName,name)
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table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
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for label in options.labels:
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table.add('d({})/d({})'.format(label,options.coordinates),
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derivative(table.get(options.coordinates),table.get(label)),
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scriptID+' '+' '.join(sys.argv[1:]))
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table.to_file(sys.stdout if name is None else name)
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