#!/usr/bin/env python2.7 # -*- coding: UTF-8 no BOM -*- import sys,os,math,re import numpy as np from optparse import OptionParser import damask scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptID = ' '.join([scriptName,damask.version]) try: # check for Python Image Lib from PIL import Image,ImageDraw ImageCapability = True except: ImageCapability = False sys.path.append(damask.solver.Marc().libraryPath()) try: # check for MSC.Mentat Python interface import py_mentat MentatCapability = True except: MentatCapability = False def outMentat(cmd,locals): if cmd[0:3] == '(!)': exec(cmd[3:]) elif cmd[0:3] == '(?)': cmd = eval(cmd[3:]) py_mentat.py_send(cmd) if 'log' in locals: locals['log'].append(cmd) else: py_mentat.py_send(cmd) if 'log' in locals: locals['log'].append(cmd) return def outStdout(cmd,locals): if cmd[0:3] == '(!)': exec(cmd[3:]) elif cmd[0:3] == '(?)': cmd = eval(cmd[3:]) print cmd else: print cmd return def output(cmds,locals,dest): for cmd in cmds: if isinstance(cmd,list): output(cmd,locals,dest) else: {\ 'Mentat': outMentat,\ 'Stdout': outStdout,\ }[dest](cmd,locals) return def rcbOrientationParser(content,idcolumn): grains = [] myOrientation = [0.0,0.0,0.0] for j,line in enumerate(content): if re.match(r'^\s*(#|$)',line): continue # skip comments and blank lines for grain in range(2): myID = int(line.split()[idcolumn+grain]) # get grain id myOrientation = map(float,line.split())[3*grain:3+3*grain] # get orientation if len(grains) < myID: for i in range(myID-len(grains)): # extend list to necessary length grains.append([0.0,0.0,0.0]) try: grains[myID-1] = myOrientation # store Euler angles except IndexError: damask.util.croak('You might not have chosen the correct column for the grain IDs! '+ 'Please check the "--id" option.') raise except: raise return grains def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn): """parser for TSL-OIM reconstructed boundary files""" # find bounding box boxX = [1.*sys.maxint,-1.*sys.maxint] boxY = [1.*sys.maxint,-1.*sys.maxint] x = [0.,0.] y = [0.,0.] for line in content: m = re.match(r'^\s*(#|$)',line) if m: continue # skip comments and blank lines try: (x[0],y[0],x[1],y[1]) = map(float,line.split())[segmentcolumn:segmentcolumn+4] # get start and end coordinates of each segment. except IndexError: damask.util.croak('You might not have chosen the correct column for the segment end points! '+ 'Please check the "--segment" option.') raise except: raise (x[0],y[0]) = (M[0]*x[0]+M[1]*y[0],M[2]*x[0]+M[3]*y[0]) # apply transformation to coordinates (x[1],y[1]) = (M[0]*x[1]+M[1]*y[1],M[2]*x[1]+M[3]*y[1]) # to get rcb --> Euler system boxX[0] = min(boxX[0],x[0],x[1]) boxX[1] = max(boxX[1],x[0],x[1]) boxY[0] = min(boxY[0],y[0],y[1]) boxY[1] = max(boxY[1],y[0],y[1]) dX = boxX[1]-boxX[0] dY = boxY[1]-boxY[0] damask.util.croak(' bounding box {},{} -- {},{}'.format(boxX[0],boxY[0],boxX[1],boxY[1])) damask.util.croak(' dimension {} x {}'.format(dX,dY)) if size > 0.0: scalePatch = size/dX else: scalePatch = 1.0 # read segments segment = 0 connectivityXY = {"0": {"0":[],"%g"%dY:[],},\ "%g"%dX: {"0":[],"%g"%dY:[],},} connectivityYX = {"0": {"0":[],"%g"%dX:[],},\ "%g"%dY: {"0":[],"%g"%dX:[],},} grainNeighbors = [] for line in content: if re.match(r'^\s*(#|$)',line): continue # skip comments and blank lines (x[0],y[0],x[1],y[1]) = map(float,line.split())[segmentcolumn:segmentcolumn+4] # get start and end coordinates of each segment. (x[0],y[0]) = (M[0]*x[0]+M[1]*y[0],M[2]*x[0]+M[3]*y[0]) # apply transformation to coordinates (x[1],y[1]) = (M[0]*x[1]+M[1]*y[1],M[2]*x[1]+M[3]*y[1]) # to get rcb --> Euler system x[0] -= boxX[0] # make relative to origin of bounding box x[1] -= boxX[0] y[0] -= boxY[0] y[1] -= boxY[0] grainNeighbors.append(map(int,line.split()[idcolumn:idcolumn+2])) # remember right and left grain per segment for i in range(2): # store segment to both points match = False # check whether point is already known (within a small range) for posX in connectivityXY.keys(): if (abs(float(posX)-x[i]) 0: damask.util.croak(' culling {} duplicate segments...'.format(len(dupSegments))) for rm in dupSegments: segments[rm] = None crappyData = False for pointId,point in enumerate(points): if len(point['segments']) < 2: # point marks a dead end! damask.util.croak('dead end at segment {} for point {} ({},{}).' .format(point['segments'][0], pointId, boxX[0]+point['coords'][0]/scalePatch,boxY[0]+point['coords'][1]/scalePatch,)) crappyData = True grains = {'draw': [], 'legs': []} if not crappyData: for pointId,point in enumerate(points): while point['segments']: myStart = pointId grainDraw = [points[myStart]['coords']] innerAngleSum = 0.0 myWalk = point['segments'].pop() grainLegs = [myWalk] myEnd = segments[myWalk][1 if segments[myWalk][0] == myStart else 0] while (myEnd != pointId): myV = [points[myEnd]['coords'][0]-points[myStart]['coords'][0], points[myEnd]['coords'][1]-points[myStart]['coords'][1]] myLen = math.sqrt(myV[0]**2+myV[1]**2) if myLen == 0.0: damask.util.croak('mylen is zero: point {} --> {}'.format(myStart,myEnd)) best = {'product': -2.0, 'peek': -1, 'len': -1, 'point': -1} for peek in points[myEnd]['segments']: # trying in turn all segments emanating from current end if peek == myWalk: continue # do not go back same path peekEnd = segments[peek][1 if segments[peek][0] == myEnd else 0] peekV = [points[myEnd]['coords'][0]-points[peekEnd]['coords'][0], points[myEnd]['coords'][1]-points[peekEnd]['coords'][1]] peekLen = math.sqrt(peekV[0]**2+peekV[1]**2) if peekLen == 0.0: damask.util.croak('peeklen is zero: peek point {}'.format(peek)) crossproduct = (myV[0]*peekV[1] - myV[1]*peekV[0])/myLen/peekLen dotproduct = (myV[0]*peekV[0] + myV[1]*peekV[1])/myLen/peekLen innerAngle = crossproduct*(dotproduct+1.0) if innerAngle >= best['product']: # takes sharpest left turn best['product'] = innerAngle best['peek'] = peek best['point'] = peekEnd innerAngleSum += best['product'] myWalk = best['peek'] myStart = myEnd myEnd = best['point'] if myWalk in points[myStart]['segments']: points[myStart]['segments'].remove(myWalk) else: damask.utilcroak('{} not in segments of point {}'.format(myWalk,myStart)) grainDraw.append(points[myStart]['coords']) grainLegs.append(myWalk) if innerAngleSum > 0.0: grains['draw'].append(grainDraw) grains['legs'].append(grainLegs) else: grains['box'] = grainLegs # build overall data structure rcData = {'dimension':[dX,dY], 'bounds': [[boxX[0],boxY[0]],[boxX[1],boxY[1]]], 'scale': scalePatch, 'point': [], 'segment': [], 'neighbors': [], 'grain': [], 'grainMapping': [], } for point in points: rcData['point'].append(point['coords']) damask.util.croak(' found {} points'.format(len(rcData['point']))) for segment in segments: rcData['segment'].append(segment) damask.util.croak(' built {} segments'.format(len(rcData['segment']))) for neighbors in grainNeighbors: rcData['neighbors'].append(neighbors) for legs in grains['legs']: # loop over grains rcData['grain'].append(legs) # store list of boundary segments myNeighbors = {} for leg in legs: # test each boundary segment if leg < len(grainNeighbors): # a valid segment index? for side in range(2): # look at both sides of the segment if grainNeighbors[leg][side] in myNeighbors: # count occurrence of grain IDs myNeighbors[grainNeighbors[leg][side]] += 1 else: myNeighbors[grainNeighbors[leg][side]] = 1 if myNeighbors: # do I have any neighbors (i.e., non-bounding box segment) candidateGrains = sorted(myNeighbors.iteritems(), key=lambda (k,v): (v,k), reverse=True) # sort grain counting # most frequent one not yet seen? rcData['grainMapping'].append(candidateGrains[0 if candidateGrains[0][0] not in rcData['grainMapping'] else 1][0]) # must be me then # special case of bi-crystal situation... damask.util.croak(' found {} grains'.format(len(rcData['grain']))) rcData['box'] = grains['box'] if 'box' in grains else [] return rcData def init(): return ["*new_model yes", "*select_clear", "*reset", "*set_nodes off", "*elements_solid", "*show_view 4", "*reset_view", "*view_perspective", "*redraw", ] def sample(size,aspect,n,xmargin,ymargin): cmds = [\ # gauge "*add_points %f %f %f"%(-size*(0.5+xmargin), size*(0.5*aspect+ymargin),0), "*add_points %f %f %f"%( size*(0.5+xmargin), size*(0.5*aspect+ymargin),0), "*add_points %f %f %f"%( size*(0.5+xmargin),-size*(0.5*aspect+ymargin),0), "*add_points %f %f %f"%(-size*(0.5+xmargin),-size*(0.5*aspect+ymargin),0), "*set_curve_type line", "*add_curves %i %i"%(1,2), "*add_curves %i %i"%(3,4), "*set_curve_div_type_fix_ndiv", "*set_curve_div_num %i"%n, "*apply_curve_divisions", "1 2 #", "*add_curves %i %i"%(2,3), # right side "*add_curves %i %i"%(4,1), # left side "*set_curve_div_type_fix_ndiv", "*set_curve_div_num %i"%n, "*apply_curve_divisions", "3 4 #", ] return cmds def patch(a,n,mesh,rcData): cmds = [] for l in range(len(rcData['point'])): # generate all points cmds.append("*add_points %f %f %f"\ %(rcData['point'][l][0]-a/2.0,rcData['point'][l][1]-a/rcData['dimension'][0]*rcData['dimension'][1]/2.0,0)) cmds.append(["*set_curve_type line", "*set_curve_div_type_fix_ndiv", ]) for m in range(len(rcData['segment'])): # generate all curves and subdivide them for overall balanced piece length start = rcData['segment'][m][0] end = rcData['segment'][m][1] cmds.append([\ "*add_curves %i %i" %(start+rcData['offsetPoints'], end +rcData['offsetPoints']), "*set_curve_div_num %i"%(max(1,round(math.sqrt((rcData['point'][start][0]-rcData['point'][end][0])**2+\ (rcData['point'][start][1]-rcData['point'][end][1])**2)/a*n))), "*apply_curve_divisions", "%i #"%(m+rcData['offsetSegments']), ]) grain = 0 cmds.append('(!)locals["last"] = py_get_int("nelements()")') for g in rcData['grain']: cmds.append([\ '(!)locals["first"] = locals["last"]+1', "*%s "%mesh+" ".join([str(rcData['offsetSegments']+x) for x in g])+" #", '(!)locals["last"] = py_get_int("nelements()")', "*select_elements", '(?)"%i to %i #"%(locals["first"],locals["last"])', "*store_elements grain_%i"%rcData['grainMapping'][grain], "all_selected", "*select_clear", ]) grain += 1 return cmds def gage(mesh,rcData): return([\ "*%s "%mesh + " ".join([str(x) for x in range(1,rcData['offsetSegments'])]) + " " + " ".join([str(rcData['offsetSegments']+x)for x in rcData['box']]) + " #", "*select_reset", "*select_clear", "*select_elements", "all_existing", "*select_mode_except", ['grain_%i'%rcData['grainMapping'][i] for i in range(len(rcData['grain']))], "#", "*store_elements matrix", "all_selected", "*select_mode_invert", "*select_elements", "all_existing", "*store_elements _grains", "all_selected", "*select_clear", "*select_reset", ]) def expand3D(thickness,steps): return([\ "*set_expand_translation z %f"%(thickness/steps), "*set_expand_repetitions %i"%steps, "*expand_elements", "all_existing", ]) def initial_conditions(grainNumber,grainMapping): cmds = [\ "*new_icond", "*icond_name _temperature", "*icond_type state_variable", "*icond_param_value state_var_id 1", "*icond_dof_value var 300", "*add_icond_elements", "all_existing", "*new_icond", "*icond_name _homogenization", "*icond_type state_variable", "*icond_param_value state_var_id 2", "*icond_dof_value var 1", "*add_icond_elements", "all_existing", ] for grain in range(grainNumber): cmds.append([\ "*new_icond", "*icond_name grain_%i"%grainMapping[grain], "*icond_type state_variable", "*icond_param_value state_var_id 3", "*icond_dof_value var %i"%(grain+1), "*add_icond_elements", "grain_%i"%grainMapping[grain], "", ]) cmds.append([\ "*new_icond", "*icond_name rim", "*icond_type state_variable", "*icond_param_value state_var_id 3", "*icond_dof_value var %i"%(grainNumber+1), "*add_icond_elements", "matrix", ]) return cmds def boundary_conditions(rate,thickness, size,aspect,xmargin,ymargin): inner = (1 - 1.0e-4) * size*(0.5+xmargin) outer = (1 + 1.0e-4) * size*(0.5+xmargin) lower = (1 - 1.0e-4) * size*(0.5*aspect+ymargin) upper = (1 + 1.0e-4) * size*(0.5*aspect+ymargin) return [\ "*new_md_table 1 1", "*table_name linear", "*set_md_table_type 1 time", "*table_add", "0 0", "1 1", "*select_method_box", "*new_apply", "*apply_name pull_bottom", "*apply_type fixed_displacement", "*apply_dof y", "*apply_dof_value y %f"%(-rate*(lower+upper)/2.0), "*apply_dof_table y linear", "*select_clear_nodes", "*select_nodes", "%f %f"%(-outer,outer), "%f %f"%(-upper,-lower), "%f %f"%(-.0001*thickness,1.0001*thickness), "*add_apply_nodes", "all_selected", "*new_apply", "*apply_name pull_top", "*apply_type fixed_displacement", "*apply_dof y", "*apply_dof_value y %f"%(rate*(lower+upper)/2.0), "*apply_dof_table y linear", "*select_clear_nodes", "*select_nodes", "%f %f"%(-outer,outer), "%f %f"%(lower,upper), "%f %f"%(-.0001*thickness,1.0001*thickness), "*add_apply_nodes", "all_selected", "*new_apply", "*apply_name fix_x", "*apply_type fixed_displacement", "*apply_dof x", "*apply_dof_value x 0", "*select_clear_nodes", "*select_nodes", "%f %f"%(-outer,-inner), "%f %f"%(lower,upper), "%f %f"%(-.0001*thickness,.0001*thickness), "%f %f"%(-outer,-inner), "%f %f"%(lower,upper), "%f %f"%(0.9999*thickness,1.0001*thickness), "%f %f"%(-outer,-inner), "%f %f"%(-upper,-lower), "%f %f"%(-.0001*thickness,.0001*thickness), "%f %f"%(-outer,-inner), "%f %f"%(-upper,-lower), "%f %f"%(0.9999*thickness,1.0001*thickness), "*add_apply_nodes", "all_selected", "*new_apply", "*apply_name fix_z", "*apply_type fixed_displacement", "*apply_dof z", "*apply_dof_value z 0", "*select_clear_nodes", "*select_nodes", "%f %f"%(-outer,-inner), "%f %f"%(lower,upper), "%f %f"%(-.0001*thickness,.0001*thickness), "%f %f"%(-outer,-inner), "%f %f"%(-upper,-lower), "%f %f"%(-.0001*thickness,.0001*thickness), "%f %f"%(inner,outer), "%f %f"%(lower,upper), "%f %f"%(-.0001*thickness,.0001*thickness), "%f %f"%(inner,outer), "%f %f"%(-upper,-lower), "%f %f"%(-.0001*thickness,.0001*thickness), "*add_apply_nodes", "all_selected", "*select_clear", "*select_reset", ] def materials(): return [\ "*new_material", "*material_name patch", "*material_type mechanical:hypoelastic", "*material_option hypoelastic:method:hypela2", "*material_option hypoelastic:pass:def_rot", "*add_material_elements", "all_existing", ] def loadcase(time,incs,Ftol): return [\ "*new_loadcase", "*loadcase_name puller", "*loadcase_type static", "*loadcase_value time", "%g"%time, "*loadcase_value nsteps", "%i"%incs, "*loadcase_value maxrec", "20", "*loadcase_value ntime_cuts", "30", "*loadcase_value force", "%g"%Ftol, ] def job(grainNumber,grainMapping,twoD): return [\ "*new_job", "*job_name pull", "*job_class mechanical", "*add_job_loadcases puller", "*add_job_iconds homogenization", ["*add_job_iconds grain_%i"%i for i in grainMapping[:grainNumber]], "*add_job_iconds rim", "*job_option dimen:%s | analysis dimension"%('two ' if twoD else 'three'), "*job_option strain:large | finite strains", "*job_option large_strn_proc:upd_lagrange | updated Lagrange framework", "*job_option plas_proc:multiplicative | multiplicative decomp of F", "*job_option solver_nonsym:on | nonsymmetrical solution", "*job_option solver:mfront_sparse | multi-frontal sparse", "*job_param stef_boltz 5.670400e-8", "*job_param univ_gas_const 8.314472", "*job_param planck_radiation_2 1.4387752e-2", "*job_param speed_light_vacuum 299792458", # "*job_usersub_file /san/%s/FEM/DAMASK/code/mpie_cpfem_marc2010.f90 | subroutine definition"%(pwd.getpwuid(os.geteuid())[0].rpartition("\\")[2]), "*job_option user_source:compile_save", ] # "*job_option large:on | large displacement", # "*job_option plasticity:l_strn_mn_add | large strain additive", # "*job_option cdilatation:on | constant dilatation", # "*job_option update:on | updated lagrange procedure", # "*job_option finite:on | large strains", # "*job_option restart_mode:write | enable restarting", def postprocess(): return [\ "*add_post_tensor stress", "*add_post_tensor strain", "*add_post_var von_mises", "", ] def cleanUp(a): return [\ "*remove_curves", "all_existing", "*remove_points", "all_existing", "*set_sweep_tolerance %f"%(1e-5*a), "*sweep_all", "*renumber_all", ] # ------------------------- def image(name,imgsize,marginX,marginY,rcData): dX = max([coords[0] for coords in rcData['point']]) dY = max([coords[1] for coords in rcData['point']]) offsetX = imgsize*marginX offsetY = imgsize*marginY sizeX = int(imgsize*(1 +2*marginX)) sizeY = int(imgsize*(dY/dX+2*marginY)) scaleImg = imgsize/dX # rescale from max x coord img = Image.new("RGB",(sizeX,sizeY),(255,255,255)) draw = ImageDraw.Draw(img) for id,point in enumerate(rcData['point']): draw.text([offsetX+point[0]*scaleImg,sizeY-(offsetY+point[1]*scaleImg)],"%i"%id,fill=(0,0,0)) for id,vertex in enumerate(rcData['segment']): if vertex: start = rcData['point'][vertex[0]] end = rcData['point'][vertex[1]] draw.text([offsetX+(start[0]+end[0])/2.0*scaleImg,sizeY-(offsetY+(start[1]+end[1])/2.0*scaleImg)],"%i"%id,fill=(255,0,128)) draw.line([offsetX+start[0]*scaleImg,sizeY-(offsetY+start[1]*scaleImg), offsetX+ end[0]*scaleImg,sizeY-(offsetY+ end[1]*scaleImg)],width=1,fill=(128,128,128)) for id,segment in enumerate(rcData['box']): start = rcData['point'][rcData['segment'][segment][0]] end = rcData['point'][rcData['segment'][segment][1]] draw.line([offsetX+start[0]*scaleImg,sizeY-(offsetY+start[1]*scaleImg), offsetX+ end[0]*scaleImg,sizeY-(offsetY+ end[1]*scaleImg)],width=3,fill=(128,128*(id%2),0)) for grain,origGrain in enumerate(rcData['grainMapping']): center = [0.0,0.0] for segment in rcData['grain'][grain]: # loop thru segments around grain for point in rcData['segment'][segment]: # take start and end points center[0] += rcData['point'][point][0] # build vector sum center[1] += rcData['point'][point][1] center[0] /= len(rcData['grain'][grain])*2 # normalize by two times segment count, i.e. point count center[1] /= len(rcData['grain'][grain])*2 draw.text([offsetX+center[0]*scaleImg,sizeY-(offsetY+center[1]*scaleImg)],'%i -> %i'%(grain,origGrain),fill=(128,32,32)) img.save(name+'.png',"PNG") # ------------------------- def inside(x,y,points): """tests whether point(x,y) is within polygon described by points""" inside = False npoints=len(points) (x1,y1) = points[npoints-1] # start with last point of points startover = (y1 >= y) # am I above testpoint? for i in range(npoints): # loop through all points (x2,y2) = points[i] # next point endover = (y2 >= y) # am I above testpoint? if (startover != endover): # one above one below testpoint? if((y2 - y)*(x2 - x1) <= (y2 - y1)*(x2 - x)): # check for intersection if (endover): inside = not inside # found intersection else: if (not endover): inside = not inside # found intersection startover = endover # make second point first point (x1,y1) = (x2,y2) return inside # ------------------------- def fftbuild(rcData,height,xframe,yframe,resolution,extrusion): """build array of grain numbers""" maxX = -1.*sys.maxint maxY = -1.*sys.maxint for line in rcData['point']: # find data range (x,y) = line maxX = max(maxX, x) maxY = max(maxY, y) xsize = maxX+2*xframe # add framsize ysize = maxY+2*yframe xres = int(round(resolution/2.0)*2) # use only even resolution yres = int(round(xres/xsize*ysize/2.0)*2) # calculate other resolutions zres = extrusion zsize = extrusion*min([xsize/xres,ysize/yres]) fftdata = {'fftpoints':[], \ 'resolution':(xres,yres,zres), \ 'dimension':(xsize,ysize,zsize)} frameindex=len(rcData['grain'])+1 # calculate frame index as largest grain index plus one dx = xsize/(xres+1) # calculate step sizes dy = ysize/(yres+1) grainpoints = [] for segments in rcData['grain']: # get segments of each grain points = {} for i,segment in enumerate(segments[:-1]): # loop thru segments except last (s=[start,end]) points[rcData['segment'][segment][0]] = i # assign segment index to start point points[rcData['segment'][segment][1]] = i # assigne segment index to endpoint for i in range(2): # check points of last segment if points[rcData['segment'][segments[-1]][i]] != 0: # not on first segment points[rcData['segment'][segments[-1]][i]] = len(segments)-1 # assign segment index to last point grainpoints.append([]) # start out blank for current grain for p in sorted(points, key=points.get): # loop thru set of sorted points grainpoints[-1].append([rcData['point'][p][0],rcData['point'][p][1]]) # append x,y of point bestGuess = 0 # assume grain 0 as best guess for i in range(int(xres*yres)): # walk through all points in xy plane xtest = -xframe+((i%xres)+0.5)*dx # calculate coordinates ytest = -yframe+(int(i/xres)+0.5)*dy if(xtest < 0 or xtest > maxX): # check wether part of frame if( ytest < 0 or ytest > maxY): # part of edges fftdata['fftpoints'].append(frameindex+2) # append frameindex to result array else: # part of xframe fftdata['fftpoints'].append(frameindex) # append frameindex to result array elif( ytest < 0 or ytest > maxY): # part of yframe fftdata['fftpoints'].append(frameindex+1) # append frameindex to result array else: if inside(xtest,ytest,grainpoints[bestGuess]): # check best guess first fftdata['fftpoints'].append(bestGuess+1) else: # no success for g in range(len(grainpoints)): # test all if inside(xtest,ytest,grainpoints[g]): fftdata['fftpoints'].append(g+1) bestGuess = g break return fftdata # ----------------------- MAIN ------------------------------- parser = OptionParser(option_class=damask.extendableOption, usage='%prog [options] datafile[s]', description = """ Produce image, spectral geometry description, and (auto) Mentat procedure from TSL/OIM reconstructed boundary file """, version = scriptID) meshes=['dt_planar_trimesh','af_planar_trimesh','af_planar_quadmesh'] parser.add_option('-o', '--output', action='extend', dest='output', metavar = '', help='types of output {rcb, image, mentat, procedure, spectral}') parser.add_option('-p', '--port', type='int', metavar = 'int', dest='port', help='Mentat connection port [%default]') parser.add_option('-2', '--twodimensional', action='store_true', dest='twoD',help='use 2D model') parser.add_option('-s','--patchsize', type='float', metavar = 'float', dest='size', help='height of patch [%default]') parser.add_option('-e', '--strain', type='float', metavar = 'float', dest='strain', help='final strain to reach in simulation [%default]') parser.add_option('--rate', type='float', metavar = 'float', dest='strainrate', help='engineering strain rate to simulate [%default]') parser.add_option('-N', '--increments', type='int', metavar = 'int', dest='increments', help='number of increments to take [%default]') parser.add_option('-t', '--tolerance', type='float', metavar = 'float', dest='tolerance', help='relative tolerance of pixel positions to be swept [%default]') parser.add_option('-m', '--mesh', choices = meshes, metavar = '', dest='mesh', help='algorithm and element type for automeshing {%s} [dt_planar_trimesh]'%(', '.join(meshes))) parser.add_option('-x', '--xmargin', type='float', metavar = 'float', dest='xmargin',help='margin in x in units of patch size [%default]') parser.add_option('-y', '--ymargin', type='float', metavar = 'float', dest='ymargin', help='margin in y in units of patch size [%default]') parser.add_option('-r', '--resolution', type='int', metavar = 'int', dest='resolution',help='number of Fourier points/Finite Elements across patch size + x_margin [%default]') parser.add_option('-z', '--extrusion', type='int', metavar = 'int', dest='extrusion', help='number of repetitions in z-direction [%default]') parser.add_option('-i', '--imagesize', type='int', metavar = 'int', dest='imgsize', help='size of PNG image [%default]') parser.add_option('-M', '--coordtransformation', type='float', nargs=4, metavar = ' '.join(['float']*4), dest='M', help='2x2 transformation from rcb to Euler coords [%default]') parser.add_option('--scatter', type='float', metavar = 'float', dest='scatter',help='orientation scatter [%default]') parser.add_option('--segment', type='int', metavar = 'int', dest='segmentcolumn', help='column holding the first entry for the segment end points in the rcb file [%default]') parser.add_option('--id', type='int', dest='idcolumn', metavar = 'int', help='column holding the right hand grain ID in the rcb file [%default]') parser.set_defaults(output = [], size = 1.0, port = 40007, xmargin = 0.0, ymargin = 0.0, resolution = 64, extrusion = 2, imgsize = 512, M = (0.0,1.0,1.0,0.0), # M_11, M_12, M_21, M_22. x,y in RCB is y,x of Eulers!! tolerance = 1.0e-3, scatter = 0.0, strain = 0.2, strainrate = 1.0e-3, increments = 200, mesh = 'dt_planar_trimesh', twoD = False, segmentcolumn = 9, idcolumn = 13) (options, args) = parser.parse_args() if not len(args): parser.error('no boundary file specified.') try: boundaryFile = open(args[0]) boundarySegments = boundaryFile.readlines() boundaryFile.close() except: damask.util.croak('unable to read boundary file "{}".'.format(args[0])) raise options.output = [s.lower() for s in options.output] # lower case options.idcolumn -= 1 # python indexing starts with 0 options.segmentcolumn -= 1 # python indexing starts with 0 myName = os.path.splitext(args[0])[0] damask.util.report(scriptName,myName) orientationData = rcbOrientationParser(boundarySegments,options.idcolumn) rcData = rcbParser(boundarySegments,options.M,options.size,options.tolerance,options.idcolumn,options.segmentcolumn) # ----- write corrected RCB ----- Minv = np.linalg.inv(np.array(options.M).reshape(2,2)) if 'rcb' in options.output: print """# Header: # # Column 1-3: right hand average orientation (phi1, PHI, phi2 in radians) # Column 4-6: left hand average orientation (phi1, PHI, phi2 in radians) # Column 7: length (in microns) # Column 8: trace angle (in degrees) # Column 9-12: x,y coordinates of endpoints (in microns) # Column 13-14: IDs of right hand and left hand grains""" for i,(left,right) in enumerate(rcData['neighbors']): if rcData['segment'][i]: first = np.dot(Minv,np.array([rcData['bounds'][0][0]+rcData['point'][rcData['segment'][i][0]][0]/rcData['scale'], rcData['bounds'][0][1]+rcData['point'][rcData['segment'][i][0]][1]/rcData['scale'], ])) second = np.dot(Minv,np.array([rcData['bounds'][0][0]+rcData['point'][rcData['segment'][i][1]][0]/rcData['scale'], rcData['bounds'][0][1]+rcData['point'][rcData['segment'][i][1]][1]/rcData['scale'], ])) print ' '.join(map(str,orientationData[left-1]+orientationData[right-1])), print np.linalg.norm(first-second), print '0', print ' '.join(map(str,first)), print ' '.join(map(str,second)), print ' '.join(map(str,[left,right])) # ----- write image ----- if 'image' in options.output and options.imgsize > 0: if ImageCapability: image(myName,options.imgsize,options.xmargin,options.ymargin,rcData) else: damask.util.croak('...no image drawing possible (PIL missing)...') # ----- write spectral geom ----- if 'spectral' in options.output: fftdata = fftbuild(rcData, options.size, options.xmargin, options.ymargin, options.resolution, options.extrusion) geomFile = open(myName+'_'+str(int(fftdata['resolution'][0]))+'.geom','w') # open geom file for writing geomFile.write('3\theader\n') # write header info geomFile.write('resolution a %i b %i c %i\n'%(fftdata['resolution'])) # resolution geomFile.write('dimension x %f y %f z %f\n'%(fftdata['dimension'])) # size geomFile.write('homogenization 1\n') # homogenization for z in xrange(fftdata['resolution'][2]): # z repetions for y in xrange(fftdata['resolution'][1]): # each x-row separately geomFile.write('\t'.join(map(str,fftdata['fftpoints'][ y *fftdata['resolution'][0]: (y+1)*fftdata['resolution'][0]]))+'\n') # grain indexes, x-row per line geomFile.close() # close geom file damask.util.croak('assigned {} out of {} (2D) Fourier points...' .format(len(fftdata['fftpoints']), int(fftdata['resolution'][0])*int(fftdata['resolution'][1]))) # ----- write Mentat procedure ----- if 'mentat' in options.output: if MentatCapability: rcData['offsetPoints'] = 1+4 # gage definition generates 4 points rcData['offsetSegments'] = 1+4 # gage definition generates 4 segments cmds = [\ init(), sample(options.size,rcData['dimension'][1]/rcData['dimension'][0],12,options.xmargin,options.ymargin), patch(options.size,options.resolution,options.mesh,rcData), gage(options.mesh,rcData), ] if not options.twoD: cmds += [expand3D(options.size*(1.0+2.0*options.xmargin)/options.resolution*options.extrusion,options.extrusion),] cmds += [\ cleanUp(options.size), materials(), initial_conditions(len(rcData['grain']),rcData['grainMapping']), boundary_conditions(options.strainrate,options.size*(1.0+2.0*options.xmargin)/options.resolution*options.extrusion,\ options.size,rcData['dimension'][1]/rcData['dimension'][0],options.xmargin,options.ymargin), loadcase(options.strain/options.strainrate,options.increments,0.01), job(len(rcData['grain']),rcData['grainMapping'],options.twoD), postprocess(), ["*identify_sets","*regen","*fill_view","*save_as_model %s yes"%(myName)], ] outputLocals = {'log':[]} if (options.port is not None): py_mentat.py_connect('',options.port) try: output(cmds,outputLocals,'Mentat') finally: py_mentat.py_disconnect() if 'procedure' in options.output: output(outputLocals['log'],outputLocals,'Stdout') else: damask.util.croak('...no interaction with Mentat possible...') # ----- write config data to file ----- if 'mentat' in options.output or 'spectral' in options.output: output = '' output += '\n\n\n' + \ '\n[SX]\n' + \ 'type\tisostrain\n' + \ 'Ngrains\t1\n' + \ '\n\n\n' for i,grain in enumerate(rcData['grainMapping']): output += '\n[grain %i]\n'%grain + \ 'crystallite\t1\n' + \ '(constituent)\tphase 1\ttexture %i\tfraction 1.0\n'%(i+1) if (options.xmargin > 0.0): output += '\n[x-margin]\n' + \ 'crystallite\t1\n' + \ '(constituent)\tphase 2\ttexture %i\tfraction 1.0\n'%(len(rcData['grainMapping'])+1) if (options.ymargin > 0.0): output += '\n[y-margin]\n' + \ 'crystallite\t1\n' + \ '(constituent)\tphase 2\ttexture %i\tfraction 1.0\n'%(len(rcData['grainMapping'])+1) if (options.xmargin > 0.0 and options.ymargin > 0.0): output += '\n[margin edge]\n' + \ 'crystallite\t1\n' + \ '(constituent)\tphase 2\ttexture %i\tfraction 1.0\n'%(len(rcData['grainMapping'])+1) output += '\n\n\n' + \ '\n[fillMeIn]\n' + \ '\n\n\n' + \ '\n[patch]\n' if (options.xmargin > 0.0 or options.ymargin > 0.0): output += '\n[margin]\n' output += '\n\n\n\n' for grain in rcData['grainMapping']: output += '\n[grain %i]\n'%grain + \ '(gauss)\tphi1\t%f\tphi\t%f\tphi2\t%f\tscatter\t%f\tfraction\t1.0\n'\ %(math.degrees(orientationData[grain-1][0]),math.degrees(orientationData[grain-1][1]),\ math.degrees(orientationData[grain-1][2]),options.scatter) if (options.xmargin > 0.0 or options.ymargin > 0.0): output += '\n[margin]\n' + \ '(random)\t\tscatter\t0.0\tfraction\t1.0\n' configFile = open(myName+'.config','w') configFile.write(output) configFile.close()