#!/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] # -------------------------------------------------------------------- # MAIN # -------------------------------------------------------------------- parser = OptionParser(option_class=damask.extendableOption, usage='%prog options file[s]', description = """ Add column(s) containing deformed configuration of requested column(s). Operates on periodic ordered three-dimensional data sets. """, version = string.replace(scriptID,'\n','\\n') ) parser.add_option('-c','--coordinates', dest='coords', action='store', type='string', metavar='string', help='column heading for coordinates [%default]') parser.add_option('-f','--defgrad', dest='defgrad', action='store', type='string', metavar='string', help='heading of columns containing tensor field values') parser.add_option('-l', '--linear', dest='linearreconstruction', action='store_true', help='use linear reconstruction of geometry [%default]') parser.set_defaults(coords = 'ip') parser.set_defaults(defgrad = 'f' ) parser.set_defaults(linearreconstruction = False) (options,filenames) = parser.parse_args() datainfo = { # list of requested labels per datatype 'defgrad': {'len':9, 'label':[]}, } datainfo['defgrad']['label'].append(options.defgrad) # ------------------------------------------ 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'],False) # 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 res = np.array([len(grid[0]),\ len(grid[1]),\ len(grid[2]),],'i') # resolution is number of distinct coordinates found geomdim = res/np.maximum(np.ones(3,'d'),res-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 res[2] == 1: geomdim[2] = min(geomdim[:2]/res[:2]) N = res.prod() # --------------- figure out columns to process --------------------------------------------------- missingColumns = False for label in datainfo['defgrad']['label']: key = '1_%s'%label if key not in table.labels: file['croak'].write('column %s not found...\n'%key) missingColumns = True else: column = table.labels.index(key) # remember columns of requested data if missingColumns: continue # ------------------------------------------ assemble header --------------------------------------- table.labels_append(['%s_coords'%(coord+1) for coord in xrange(3)]) # extend ASCII header with new labels table.head_write() # ------------------------------------------ read deformation gradient field ----------------------- table.data_rewind() F = np.array([0.0 for i in xrange(N*9)]).reshape([3,3]+list(res)) idx = 0 while table.data_read(): (x,y,z) = damask.util.gridLocation(idx,res) # figure out (x,y,z) position from line count idx += 1 F[0:3,0:3,x,y,z] = np.array(map(float,table.data[column:column+9]),'d').reshape(3,3) # ------------------------------------------ calculate coordinates --------------------------------- Favg = damask.core.math.tensorAvg(F) if options.linearreconstruction: centroids = damask.core.mesh.deformedCoordsLin(geomdim,F,Favg) else: centroids = damask.core.mesh.deformedCoordsFFT(geomdim,F,Favg) # ------------------------------------------ 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,res) # figure out (x,y,z) position from line count idx += 1 table.data_append(list(centroids[:,x,y,z])) 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