#!/usr/bin/env python # -*- coding: UTF-8 no BOM -*- import os,sys,string import numpy as np from optparse import OptionParser import damask scriptID = string.replace('$Id$','\n','\\n') scriptName = os.path.splitext(scriptID.split()[1])[0] # -------------------------------------------------------------------- # MAIN # -------------------------------------------------------------------- parser = OptionParser(option_class=damask.extendableOption, usage='%prog options file[s]', description = """ Add deformed configuration of given initial coordinates. Operates on periodic three-dimensional x,y,z-ordered data sets. """, version = scriptID) parser.add_option('-c','--coordinates', dest = 'coords', type = 'string', metavar = 'string', help = 'column label of coordinates [%default]') parser.add_option('-f','--defgrad', dest = 'defgrad', type = 'string', metavar = 'string', help = 'column label of deformation gradient [%default]') parser.add_option('--scaling', dest = 'scaling', type = 'float', nargs = 3, metavar = ' '.join(['float']*3), help = 'x/y/z scaling of displacement fluctuation') parser.set_defaults(coords = 'ipinitialcoord', defgrad = 'f', scaling = [1.,1.,1.], ) (options,filenames) = parser.parse_args() # --- 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 ---------------------------------------- errors = [] remarks = [] if table.label_dimension(options.coords) != 3: errors.append('coordinates {} are not a vector.'.format(options.coords)) else: colCoord = table.label_index(options.coords) if table.label_dimension(options.defgrad) != 9: errors.append('deformation gradient {} is not a tensor.'.format(options.defgrad)) else: colF = table.label_index(options.defgrad) if remarks != []: damask.util.croak(remarks) if errors != []: damask.util.croak(errors) table.close(dismiss = True) continue # --------------- figure out size and grid --------------------------------------------------------- table.data_readArray() coords = [np.unique(table.data[:,colCoord+i]) for i in xrange(3)] mincorner = np.array(map(min,coords)) maxcorner = np.array(map(max,coords)) grid = np.array(map(len,coords),'i') size = grid/np.maximum(np.ones(3,'d'), grid-1.0) * (maxcorner-mincorner) # size from edge to edge = dim * n/(n-1) size = np.where(grid > 1, size, min(size[grid > 1]/grid[grid > 1])) # spacing for grid==1 equal to smallest among other spacings N = grid.prod() if N != len(table.data): errors.append('data count {} does not match grid {}x{}x{}.'.format(N,*grid)) if errors != []: damask.util.croak(errors) table.close(dismiss = True) continue # ------------------------------------------ assemble header --------------------------------------- table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:])) for coord in xrange(3): table.labels_append(['{}_{}.{}'.format(coord+1,options.defgrad,options.coords) ]) # 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]+grid.tolist()) idx = 0 while table.data_read(): (x,y,z) = damask.util.gridLocation(idx,grid) # 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[table.label_index(options.defgrad):\ table.label_index(options.defgrad)+9]),'d').reshape(3,3) # ------------------------------------------ calculate coordinates --------------------------------- Favg = damask.core.math.tensorAvg(F) centroids = damask.core.mesh.deformedCoordsFFT(size,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,grid) # figure out (x,y,z) position from line count idx += 1 table.data_append(list(centroids[:,x,y,z])) outputAlive = table.data_write() # ------------------------------------------ output finalization ----------------------------------- table.close() # close ASCII tables