#!/usr/bin/env python # -*- coding: UTF-8 no BOM -*- import os,sys from optparse import OptionParser import damask scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptID = ' '.join([scriptName,damask.version]) oneThird = 1.0/3.0 def deviator(m,spherical = False): # Careful, do not change the value of m, its intent(inout)! sph = oneThird*(m[0]+m[4]+m[8]) dev = [ m[0]-sph, m[1], m[2], m[3], m[4]-sph, m[5], m[6], m[7], m[8]-sph, ] return dev,sph if spherical else dev # -------------------------------------------------------------------- # MAIN # -------------------------------------------------------------------- parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """ Add column(s) containing deviator of requested tensor column(s). """, version = scriptID) parser.add_option('-t','--tensor', dest = 'tensor', action = 'extend', metavar='', help = 'heading of columns containing tensor field values') parser.add_option('-s','--spherical', dest = 'spherical', action = 'store_true', help = 'report spherical part of tensor (hydrostatic component, pressure)') (options,filenames) = parser.parse_args() if options.tensor is None: parser.error('no data column specified...') # --- loop over input files ------------------------------------------------------------------------- if filenames == []: filenames = [None] for name in filenames: try: table = damask.ASCIItable(name = name, buffered = False) except: continue damask.util.report(scriptName,name) # ------------------------------------------ read header ------------------------------------------ table.head_read() # ------------------------------------------ sanity checks ---------------------------------------- items = { 'tensor': {'dim': 9, 'shape': [3,3], 'labels':options.tensor, 'active':[], 'column': []}, } errors = [] remarks = [] column = {} for type, data in items.items(): for what in data['labels']: dim = table.label_dimension(what) if dim != data['dim']: remarks.append('column {} is not a {}.'.format(what,type)) else: items[type]['active'].append(what) items[type]['column'].append(table.label_index(what)) if remarks != []: damask.util.croak(remarks) if errors != []: damask.util.croak(errors) table.close(dismiss = True) continue # ------------------------------------------ assemble header -------------------------------------- table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:])) for type, data in items.items(): for label in data['active']: table.labels_append(['{}_dev({})'.format(i+1,label) for i in range(data['dim'])] + \ (['sph({})'.format(label)] if options.spherical else [])) # extend ASCII header with new labels table.head_write() # ------------------------------------------ process data ------------------------------------------ outputAlive = True while outputAlive and table.data_read(): # read next data line of ASCII table for type, data in items.items(): for column in data['column']: table.data_append(deviator(list(map(float,table.data[column: column+data['dim']])),options.spherical)) outputAlive = table.data_write() # output processed line # ------------------------------------------ output finalization ----------------------------------- table.close() # close input ASCII table (works for stdin)