From 510b55df504c4c4935d17a2c8e848e6b97ee2f7c Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 30 May 2019 10:31:27 +0200 Subject: [PATCH] several improvements - more error checking - order of points can be arbitrary also for microstructure input - grouping of same orientation/phase combinations --- processing/pre/geom_fromTable.py | 86 ++++++++++++-------------------- 1 file changed, 31 insertions(+), 55 deletions(-) mode change 100755 => 100644 processing/pre/geom_fromTable.py diff --git a/processing/pre/geom_fromTable.py b/processing/pre/geom_fromTable.py old mode 100755 new mode 100644 index b5d5c220c..0a32836c2 --- a/processing/pre/geom_fromTable.py +++ b/processing/pre/geom_fromTable.py @@ -54,12 +54,14 @@ parser.set_defaults(homogenization = 1, (options,filenames) = parser.parse_args() -input = [ options.quaternion is not None, +input = [options.quaternion is not None, options.microstructure is not None, ] if np.sum(input) != 1: - parser.error('need either microstructure label or exactly one orientation input format.') + parser.error('need either microstructure or quaternion (and optionally phase) as input.') +if options.microstructure is not None and options.phase is not None: + parser.error('need either microstructure or phase (and mandatory quaternion) as input.') if options.axes is not None and not set(options.axes).issubset(set(['x','+x','-x','y','+y','-y','z','+z','-z'])): parser.error('invalid axes {} {} {}.'.format(*options.axes)) @@ -105,73 +107,47 @@ for name in filenames: mincorner = np.array(list(map(min,coords))) origin = mincorner - 0.5*size/grid # shift from cell center to corner - -# ------------------------------------------ process data ------------------------------------------ - - colOri = table.label_index(label)+(3-coordDim) # column(s) of orientation data followed by 3 coordinates + indices = np.lexsort((table.data[:,0],table.data[:,1],table.data[:,2])) # indices of position when sorting x fast, z slow + microstructure = np.empty(grid,dtype = int) # initialize empty microstructure + i = 0 + if inputtype == 'microstructure': - - grain = table.data[:,colOri] - nGrains = len(np.unique(grain)) - - elif inputtype == 'quaternion': - - colPhase = -1 # column of phase data comes last - index = np.lexsort((table.data[:,0],table.data[:,1],table.data[:,2])) # index of position when sorting x fast, z slow - grain = -np.ones(grid.prod(),dtype = int) # initialize empty microstructure - orientations = [] # orientations - multiplicity = [] # orientation multiplicity (number of group members) - phases = [] # phase info - nGrains = 0 # counter for detected grains - existingGrains = np.arange(nGrains) - myPos = 0 # position (in list) of current grid point - - for z in range(grid[2]): for y in range(grid[1]): for x in range(grid[0]): + microstructure[x,y,z] = table.data[indices[i],3] + i+=1 - - myData = table.data[index[myPos]] # read data for current grid point - myPhase = int(myData[colPhase]) - - o = damask.Rotation(myData[colOri:colOri+4]) - - grain[myPos] = nGrains # assign new grain to me ... - nGrains += 1 # ... and update counter - orientations.append(o) # store new orientation for future comparison - multiplicity.append(1) # having single occurrence so far - phases.append(myPhase) # store phase info for future reporting - existingGrains = np.arange(nGrains) # update list of existing grains - - myPos += 1 - - - grain += 1 # offset from starting index 0 to 1 - - - formatwidth = 1+int(np.log10(nGrains)) - - if inputtype == 'microstructure': config_header = [] - else: + + elif inputtype == 'quaternion': + unique,unique_inverse = np.unique(table.data[:,3:8],return_inverse=True,axis=0) + + for z in range(grid[2]): + for y in range(grid[1]): + for x in range(grid[0]): + microstructure[x,y,z] = unique_inverse[indices[i]]+1 + i+=1 + config_header = [''] - for i,phase in enumerate(phases): - config_header += ['[Grain%s]'%(str(i+1).zfill(formatwidth)), + for i,data in enumerate(unique): + config_header += ['[Grain{}]'.format(i+1), 'crystallite 1', - '(constituent)\tphase %i\ttexture %s\tfraction 1.0'%(phase,str(i+1).rjust(formatwidth)), + '(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(int(data[4]),i+1), ] config_header += [''] - for i,orientation in enumerate(orientations): - config_header += ['[Grain%s]'%(str(i+1).zfill(formatwidth)), - '(gauss)\tphi1 %g\tPhi %g\tphi2 %g'%tuple(orientation.asEulers(degrees = True)), + for i,data in enumerate(unique): + ori = damask.Rotation(data[0:4]) + config_header += ['[Grain{}]'.format(i+1), + '(gauss)\tphi1 {:g}\tPhi {:g}\tphi2 {:g}'.format(*ori.asEulers(degrees = True)), ] if options.axes is not None: config_header += ['axes\t{} {} {}'.format(*options.axes)] - - header = [scriptID + ' ' + ' '.join(sys.argv[1:])] + config_header + ['origin x {} y {} z {}'.format(*origin)] - geom = damask.Geom(grain.reshape(grid,order='F'),size, + + header = [scriptID + ' ' + ' '.join(sys.argv[1:])]\ + + config_header + geom = damask.Geom(microstructure,size,origin, homogenization=options.homogenization,comments=header) damask.util.croak(geom)