#!/usr/bin/env python # -*- coding: UTF-8 no BOM -*- import os,sys,math,string import numpy as np from optparse import OptionParser import damask scriptID = string.replace('$Id: addDeformedConfiguration.py 4500 2015-09-24 09:24:42Z MPIE\m.diehl $','\n','\\n') scriptName = os.path.splitext(scriptID.split()[1])[0] #-------------------------------------------------------------------------------------------------- def nodesAroundCentres(gDim,Favg,centres): #-------------------------------------------------------------------------------------------------- neighbor = np.array([0, 0, 0, 1, 0, 0, 1, 1, 0, 0, 1, 0, 0, 0, 1, 1, 0, 1, 1, 1, 1, 0, 1, 1]).reshape(8,3) #-------------------------------------------------------------------------------------------------- # building wrappedCentres = centroids + ghosts diag = np.ones([3]) wrappedCentres = np.zeros([3,grid[0]+2,grid[1]+2,grid[2]+2]) wrappedCentres[0:3,1:grid[0]+1,1:grid[1]+1,1:grid[2]+1] = centres for k in xrange(grid[2]+2): for j in xrange(grid[1]+2): for i in xrange(grid[0]+2): if (k in [0,grid[2]+1] or j in [0,grid[1]+1] or i in[0,grid[0]+1]): me = np.array([i,j,k],'i') # me on skin shift = abs(grid+np.ones([3],'i')-2*me)/(grid+np.ones([3],'i'))*\ np.sign(grid+np.ones([3],'i')-2*me) lookup = np.array(me-diag+shift*grid,'i') wrappedCentres[0:3,i, j, k] = \ centres[0:3,lookup[0],lookup[1],lookup[2]] - np.dot(Favg, shift*gDim) #-------------------------------------------------------------------------------------------------- # averaging nodes = np.zeros([3,grid[0]+1,grid[1]+1,grid[2]+1]) for k in xrange(grid[2]+1): for j in xrange(grid[1]+1): for i in xrange(grid[0]+1): for n in xrange(8): nodes[0:3,i,j,k] = \ nodes[0:3,i,j,k] + wrappedCentres[0:3,i+neighbor[n,0],j+neighbor[n,1],k+neighbor[n,2] ] return nodes/8.0 # -------------------------------------------------------------------- # 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('-f', '--defgrad',dest='defgrad', metavar = 'string', help='heading of deformation gradient columns [%default]') parser.add_option('-u', '--unitlength', dest='unitlength', type='float', metavar = 'float', help='set unit length for 2D model [%default]') parser.set_defaults(deformed = 'ipinitialcoord') parser.set_defaults(unitlength = 0.0) (options,filenames) = parser.parse_args() options.scaling += [1.0 for i in xrange(max(0,3-len(options.scaling)))] scaling = map(float, options.scaling) # --- 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): label = '{}_{}_{}'.format(coord+1,options.defgrad,options.coords) if np.any(scaling) != 1.0: label+='_{}_{}_{}'.format(scaling) if options.undeformed: label+='_undeformed' table.labels_append([label]) # extend ASCII header with new labels table.head_write() # ------------------------------------------ read deformation gradient field ----------------------- centroids,Favg = deformedCoordsFFT(table.data[:,colF:colF+9].reshape(grid[0],grid[1],grid[2],3,3)) # ------------------------------------------ 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[z,y,x,:])) outputAlive = table.data_write() # ------------------------------------------ output finalization ----------------------------------- table.close() # close ASCII tables