#!/usr/bin/env python # -*- coding: UTF-8 no BOM -*- import os,re,sys,math,string import numpy as np from collections import defaultdict from optparse import OptionParser import damask scriptID = '$Id$' scriptName = scriptID.split()[1] accuracyChoices = ['2','4','6','8'] # -------------------------------------------------------------------- # MAIN # -------------------------------------------------------------------- parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """ Add column(s) containing divergence of requested column(s). Operates on periodic ordered three-dimensional data sets. Deals with both vector- and tensor-valued fields. """, version = string.replace(scriptID,'\n','\\n') ) parser.add_option('--fdm', dest='accuracy', action='extend', type='string', metavar='', \ help='degree of central difference accuracy (%s)'%(','.join(accuracyChoices))) parser.add_option('--fft', dest='fft', action='store_true', \ help='calculate divergence in Fourier space') parser.add_option('-c','--coordinates', dest='coords', type='string', metavar = 'string', \ help='column heading for coordinates [%default]') parser.add_option('-v','--vector', dest='vector', action='extend', type='string', metavar='', \ help='heading of columns containing vector field values') parser.add_option('-t','--tensor', dest='tensor', action='extend', type='string', metavar='', \ help='heading of columns containing tensor field values') parser.set_defaults(coords = 'ip') parser.set_defaults(accuracy = []) parser.set_defaults(fft = False) parser.set_defaults(vector = []) parser.set_defaults(tensor = []) (options,filenames) = parser.parse_args() if len(options.vector) + len(options.tensor) == 0: parser.error('no data column specified...') for choice in options.accuracy: if choice not in accuracyChoices: parser.error('accuracy must be chosen from %s...'%(', '.join(accuracyChoices))) if options.fft: options.accuracy.append('FFT') if not options.accuracy: parser.error('no accuracy selected') datainfo = { # list of requested labels per datatype 'vector': {'len':3, 'label':[]}, 'tensor': {'len':9, 'label':[]}, } if options.vector != None: datainfo['vector']['label'] += options.vector if options.tensor != None: datainfo['tensor']['label'] += options.tensor # ------------------------------------------ setup file handles ------------------------------------ files = [] for name in filenames: if os.path.exists(name): files.append({'name':name, 'input':open(name), 'output':open(name+'_tmp','w'), 'croak':sys.stderr}) #--- loop over input files ------------------------------------------------------------------------ for file in files: file['croak'].write('\033[1m'+scriptName+'\033[0m: '+file['name']+'\n') table = damask.ASCIItable(file['input'],file['output'],True) # make unbuffered ASCII_table table.head_read() # read ASCII header info table.info_append(string.replace(scriptID,'\n','\\n') + '\t' + ' '.join(sys.argv[1:])) # --------------- figure out dimension and resolution ---------------------------------------------- try: locationCol = table.labels.index('%s.x'%options.coords) # columns containing location data except ValueError: file['croak'].write('no coordinate data found...\n'%key) continue grid = [{},{},{}] while table.data_read(): # read next data line of ASCII table for j in xrange(3): grid[j][str(table.data[locationCol+j])] = True # remember coordinate along x,y,z resolution = np.array([len(grid[0]),\ len(grid[1]),\ len(grid[2]),],'i') # resolution is number of distinct coordinates found dimension = resolution/np.maximum(np.ones(3,'d'),resolution-1.0)* \ np.array([max(map(float,grid[0].keys()))-min(map(float,grid[0].keys())),\ max(map(float,grid[1].keys()))-min(map(float,grid[1].keys())),\ max(map(float,grid[2].keys()))-min(map(float,grid[2].keys())),\ ],'d') # dimension from bounding box, corrected for cell-centeredness if resolution[2] == 1: dimension[2] = min(dimension[:2]/resolution[:2]) N = resolution.prod() # --------------- figure out columns to process -------------------------------------------------- active = defaultdict(list) column = defaultdict(dict) values = defaultdict(dict) divergence = defaultdict(dict) for datatype,info in datainfo.items(): for label in info['label']: key = {True :'1_%s', False:'%s' }[info['len']>1]%label if key not in table.labels: file['croak'].write('column %s not found...\n'%key) else: active[datatype].append(label) column[datatype][label] = table.labels.index(key) # remember columns of requested data values[datatype][label] = np.array([0.0 for i in xrange(N*datainfo[datatype]['len'])]).\ reshape(list(resolution)+[datainfo[datatype]['len']//3,3]) if label not in divergence[datatype]: divergence[datatype][label] = {} for accuracy in options.accuracy: divergence[datatype][label][accuracy] = np.array([0.0 for i in xrange(N*datainfo[datatype]['len']//3)]).\ reshape(list(resolution)+[datainfo[datatype]['len']//3]) # ------------------------------------------ assemble header --------------------------------------- for datatype,labels in active.items(): # loop over vector,tensor for label in labels: for accuracy in options.accuracy: if datatype == 'vector': # extend ASCII header with new labels table.labels_append(['div%s(%s)'%(accuracy,label)]) if datatype == 'tensor': table.labels_append(['%i_div%s(%s)'%(i+1,accuracy,label) for i in xrange(3)]) table.head_write() # ------------------------------------------ read value field -------------------------------------- table.data_rewind() idx = 0 while table.data_read(): # read next data line of ASCII table (x,y,z) = damask.util.gridLocation(idx,resolution) # figure out (x,y,z) position from line count idx += 1 for datatype,labels in active.items(): # loop over vector,tensor for label in labels: # loop over all requested curls values[datatype][label][x,y,z] = np.array( map(float,table.data[column[datatype][label]: column[datatype][label]+datainfo[datatype]['len']]),'d') \ .reshape(datainfo[datatype]['len']//3,3) # ------------------------------------------ process value field ----------------------------------- for datatype,labels in active.items(): # loop over vector,tensor for label in labels: # loop over all requested divergencies for accuracy in options.accuracy: if accuracy == 'FFT': divergence[datatype][label][accuracy] = damask.core.math.divergenceFFT(dimension,values[datatype][label]) else: divergence[datatype][label][accuracy] = damask.core.math.divergenceFDM(dimension,eval(accuracy)//2-1,values[datatype][label]) # ------------------------------------------ process data --------------------------------------- table.data_rewind() idx = 0 outputAlive = True while outputAlive and table.data_read(): # read next data line of ASCII table (x,y,z) = damask.util.gridLocation(idx,resolution) # figure out (x,y,z) position from line count idx += 1 for datatype,labels in active.items(): # loop over vector,tensor for label in labels: # loop over all requested for accuracy in options.accuracy: table.data_append(list(divergence[datatype][label][accuracy][x,y,z].reshape(datainfo[datatype]['len']//3))) outputAlive = table.data_write() # output processed line # ------------------------------------------ output result --------------------------------------- outputAlive and table.output_flush() # just in case of buffered ASCII table file['input'].close() # close input ASCII table (works for stdin) file['output'].close() # close output ASCII table (works for stdout) os.rename(file['name']+'_tmp',file['name']) # overwrite old one with tmp new