1039 lines
40 KiB
Python
Executable File
1039 lines
40 KiB
Python
Executable File
#!/usr/bin/env python2.7
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# -*- coding: UTF-8 no BOM -*-
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import sys,os,math,re
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import numpy as np
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from optparse import OptionParser
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import damask
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scriptName = os.path.splitext(os.path.basename(__file__))[0]
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scriptID = ' '.join([scriptName,damask.version])
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try: # check for Python Image Lib
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from PIL import Image,ImageDraw
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ImageCapability = True
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except ImportError:
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ImageCapability = False
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sys.path.append(damask.solver.Marc().libraryPath())
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try: # check for MSC.Mentat Python interface
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import py_mentat
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MentatCapability = True
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except ImportError:
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MentatCapability = False
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def outMentat(cmd,locals):
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if cmd[0:3] == '(!)':
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exec(cmd[3:])
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elif cmd[0:3] == '(?)':
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cmd = eval(cmd[3:])
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py_mentat.py_send(cmd)
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if 'log' in locals: locals['log'].append(cmd)
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else:
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py_mentat.py_send(cmd)
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if 'log' in locals: locals['log'].append(cmd)
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return
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def outStdout(cmd,locals):
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if cmd[0:3] == '(!)':
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exec(cmd[3:])
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elif cmd[0:3] == '(?)':
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cmd = eval(cmd[3:])
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print(cmd)
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else:
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print(cmd)
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return
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def output(cmds,locals,dest):
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for cmd in cmds:
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if isinstance(cmd,list):
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output(cmd,locals,dest)
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else:
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{\
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'Mentat': outMentat,\
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'Stdout': outStdout,\
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}[dest](cmd,locals)
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return
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def rcbOrientationParser(content,idcolumn):
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grains = []
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myOrientation = [0.0,0.0,0.0]
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for j,line in enumerate(content):
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if re.match(r'^\s*(#|$)',line): continue # skip comments and blank lines
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for grain in range(2):
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myID = int(line.split()[idcolumn+grain]) # get grain id
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myOrientation = map(float,line.split())[3*grain:3+3*grain] # get orientation
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if len(grains) < myID:
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for i in range(myID-len(grains)): # extend list to necessary length
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grains.append([0.0,0.0,0.0])
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try:
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grains[myID-1] = myOrientation # store Euler angles
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except IndexError:
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damask.util.croak('You might not have chosen the correct column for the grain IDs! '+
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'Please check the "--id" option.')
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raise
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except:
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raise
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return grains
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def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn):
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"""Parser for TSL-OIM reconstructed boundary files"""
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# find bounding box
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boxX = [1.*sys.maxint,-1.*sys.maxint]
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boxY = [1.*sys.maxint,-1.*sys.maxint]
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x = [0.,0.]
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y = [0.,0.]
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for line in content:
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m = re.match(r'^\s*(#|$)',line)
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if m: continue # skip comments and blank lines
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try:
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(x[0],y[0],x[1],y[1]) = map(float,line.split())[segmentcolumn:segmentcolumn+4] # get start and end coordinates of each segment.
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except IndexError:
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damask.util.croak('You might not have chosen the correct column for the segment end points! '+
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'Please check the "--segment" option.')
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raise
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except:
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raise
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(x[0],y[0]) = (M[0]*x[0]+M[1]*y[0],M[2]*x[0]+M[3]*y[0]) # apply transformation to coordinates
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(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
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boxX[0] = min(boxX[0],x[0],x[1])
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boxX[1] = max(boxX[1],x[0],x[1])
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boxY[0] = min(boxY[0],y[0],y[1])
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boxY[1] = max(boxY[1],y[0],y[1])
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dX = boxX[1]-boxX[0]
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dY = boxY[1]-boxY[0]
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damask.util.croak(' bounding box {},{} -- {},{}'.format(boxX[0],boxY[0],boxX[1],boxY[1]))
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damask.util.croak(' dimension {} x {}'.format(dX,dY))
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if size > 0.0: scalePatch = size/dX
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else: scalePatch = 1.0
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# read segments
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segment = 0
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connectivityXY = {"0": {"0":[],"%g"%dY:[],},\
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"%g"%dX: {"0":[],"%g"%dY:[],},}
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connectivityYX = {"0": {"0":[],"%g"%dX:[],},\
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"%g"%dY: {"0":[],"%g"%dX:[],},}
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grainNeighbors = []
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for line in content:
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if re.match(r'^\s*(#|$)',line): continue # skip comments and blank lines
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(x[0],y[0],x[1],y[1]) = map(float,line.split())[segmentcolumn:segmentcolumn+4] # get start and end coordinates of each segment.
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(x[0],y[0]) = (M[0]*x[0]+M[1]*y[0],M[2]*x[0]+M[3]*y[0]) # apply transformation to coordinates
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(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
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x[0] -= boxX[0] # make relative to origin of bounding box
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x[1] -= boxX[0]
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y[0] -= boxY[0]
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y[1] -= boxY[0]
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grainNeighbors.append(map(int,line.split()[idcolumn:idcolumn+2])) # remember right and left grain per segment
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for i in range(2): # store segment to both points
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match = False # check whether point is already known (within a small range)
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for posX in connectivityXY.keys():
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if (abs(float(posX)-x[i])<dX*tolerance):
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for posY in connectivityXY[posX].keys():
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if (abs(float(posY)-y[i])<dY*tolerance):
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keyX = posX
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keyY = posY
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match = True
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break
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break
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# force onto boundary if inside tolerance to it
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if (not match):
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if (abs(x[i])<dX*tolerance):
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x[i] = 0
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if (abs(dX-x[i])<dX*tolerance):
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x[i] = dX
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if (abs(y[i])<dY*tolerance):
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y[i] = 0
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if (abs(dY-y[i])<dY*tolerance):
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y[i] = dY
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keyX = "%g"%x[i]
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keyY = "%g"%y[i]
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if keyX not in connectivityXY: # create new hash entry for so far unknown point
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connectivityXY[keyX] = {}
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if keyY not in connectivityXY[keyX]: # create new hash entry for so far unknown point
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connectivityXY[keyX][keyY] = []
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if keyY not in connectivityYX: # create new hash entry for so far unknown point
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connectivityYX[keyY] = {}
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if keyX not in connectivityYX[keyY]: # create new hash entry for so far unknown point
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connectivityYX[keyY][keyX] = []
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connectivityXY[keyX][keyY].append(segment)
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connectivityYX[keyY][keyX].append(segment)
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segment += 1
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# top border
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keyId = "0"
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boundary = connectivityYX[keyId].keys()
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boundary.sort(key=float)
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for indexBdy in range(len(boundary)-1):
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connectivityXY[boundary[indexBdy]][keyId].append(segment)
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connectivityXY[boundary[indexBdy+1]][keyId].append(segment)
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connectivityYX[keyId][boundary[indexBdy]].append(segment)
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connectivityYX[keyId][boundary[indexBdy+1]].append(segment)
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segment += 1
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# right border
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keyId = "%g"%(boxX[1]-boxX[0])
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boundary = connectivityXY[keyId].keys()
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boundary.sort(key=float)
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for indexBdy in range(len(boundary)-1):
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connectivityYX[boundary[indexBdy]][keyId].append(segment)
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connectivityYX[boundary[indexBdy+1]][keyId].append(segment)
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connectivityXY[keyId][boundary[indexBdy]].append(segment)
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connectivityXY[keyId][boundary[indexBdy+1]].append(segment)
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segment += 1
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# bottom border
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keyId = "%g"%(boxY[1]-boxY[0])
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boundary = connectivityYX[keyId].keys()
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boundary.sort(key=float,reverse=True)
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for indexBdy in range(len(boundary)-1):
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connectivityXY[boundary[indexBdy]][keyId].append(segment)
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connectivityXY[boundary[indexBdy+1]][keyId].append(segment)
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connectivityYX[keyId][boundary[indexBdy]].append(segment)
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connectivityYX[keyId][boundary[indexBdy+1]].append(segment)
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segment += 1
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# left border
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keyId = "0"
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boundary = connectivityXY[keyId].keys()
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boundary.sort(key=float,reverse=True)
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for indexBdy in range(len(boundary)-1):
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connectivityYX[boundary[indexBdy]][keyId].append(segment)
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connectivityYX[boundary[indexBdy+1]][keyId].append(segment)
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connectivityXY[keyId][boundary[indexBdy]].append(segment)
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connectivityXY[keyId][boundary[indexBdy+1]].append(segment)
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segment += 1
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allkeysX = connectivityXY.keys()
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allkeysX.sort()
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points = []
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segments = [[] for i in range(segment)]
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pointId = 0
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for keyX in allkeysX:
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allkeysY = connectivityXY[keyX].keys()
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allkeysY.sort()
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for keyY in allkeysY:
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points.append({'coords': [float(keyX)*scalePatch,float(keyY)*scalePatch], 'segments': connectivityXY[keyX][keyY]})
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for segment in connectivityXY[keyX][keyY]:
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segments[segment].append(pointId)
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pointId += 1
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dupSegments = []
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for pointId,point in enumerate(points):
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ends = []
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goners = []
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for segment in point['segments']:
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end = segments[segment][1 if segments[segment][0] == pointId else 0]
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if end in ends:
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goners.append(segment)
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dupSegments.append(segment)
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else:
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ends.append(end)
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for item in goners:
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point['segments'].remove(item)
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if len(dupSegments) > 0:
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damask.util.croak(' culling {} duplicate segments...'.format(len(dupSegments)))
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for rm in dupSegments:
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segments[rm] = None
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crappyData = False
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for pointId,point in enumerate(points):
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if len(point['segments']) < 2: # point marks a dead end!
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damask.util.croak('dead end at segment {} for point {} ({},{}).'
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.format(point['segments'][0],
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pointId,
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boxX[0]+point['coords'][0]/scalePatch,boxY[0]+point['coords'][1]/scalePatch,))
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crappyData = True
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grains = {'draw': [], 'legs': []}
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if not crappyData:
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for pointId,point in enumerate(points):
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while point['segments']:
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myStart = pointId
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grainDraw = [points[myStart]['coords']]
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innerAngleSum = 0.0
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myWalk = point['segments'].pop()
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grainLegs = [myWalk]
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myEnd = segments[myWalk][1 if segments[myWalk][0] == myStart else 0]
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while (myEnd != pointId):
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myV = [points[myEnd]['coords'][0]-points[myStart]['coords'][0],
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points[myEnd]['coords'][1]-points[myStart]['coords'][1]]
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myLen = math.sqrt(myV[0]**2+myV[1]**2)
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if myLen == 0.0: damask.util.croak('mylen is zero: point {} --> {}'.format(myStart,myEnd))
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best = {'product': -2.0, 'peek': -1, 'len': -1, 'point': -1}
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for peek in points[myEnd]['segments']: # trying in turn all segments emanating from current end
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if peek == myWalk:
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continue # do not go back same path
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peekEnd = segments[peek][1 if segments[peek][0] == myEnd else 0]
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peekV = [points[peekEnd]['coords'][0]-points[myEnd]['coords'][0],
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points[peekEnd]['coords'][1]-points[myEnd]['coords'][1]]
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peekLen = math.sqrt(peekV[0]**2+peekV[1]**2)
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if peekLen == 0.0: damask.util.croak('peeklen is zero: peek point {}'.format(peek))
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crossproduct = (myV[0]*peekV[1] - myV[1]*peekV[0])/myLen/peekLen
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dotproduct = (myV[0]*peekV[0] + myV[1]*peekV[1])/myLen/peekLen
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innerAngle = math.copysign(1.0,crossproduct)*(dotproduct-1.0)
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if innerAngle >= best['product']: # takes sharpest left turn
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best['product'] = innerAngle
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best['peek'] = peek
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best['point'] = peekEnd
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innerAngleSum += best['product']
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myWalk = best['peek']
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myStart = myEnd
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myEnd = best['point']
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if myWalk in points[myStart]['segments']:
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points[myStart]['segments'].remove(myWalk)
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else:
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damask.util.croak('{} not in segments of point {}'.format(myWalk,myStart))
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grainDraw.append(points[myStart]['coords'])
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grainLegs.append(myWalk)
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if innerAngleSum > 0.0:
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grains['draw'].append(grainDraw)
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grains['legs'].append(grainLegs)
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else:
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grains['box'] = grainLegs
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# build overall data structure
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rcData = {'dimension':[dX,dY],
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'bounds': [[boxX[0],boxY[0]],[boxX[1],boxY[1]]],
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'scale': scalePatch,
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'point': [],
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'segment': [],
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'neighbors': [],
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'grain': [],
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'grainMapping': [],
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}
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for point in points:
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rcData['point'].append(point['coords'])
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damask.util.croak(' found {} points'.format(len(rcData['point'])))
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for segment in segments:
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rcData['segment'].append(segment)
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damask.util.croak(' built {} segments'.format(len(rcData['segment'])))
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for neighbors in grainNeighbors:
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rcData['neighbors'].append(neighbors)
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for legs in grains['legs']: # loop over grains
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rcData['grain'].append(legs) # store list of boundary segments
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myNeighbors = {}
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for leg in legs: # test each boundary segment
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if leg < len(grainNeighbors): # a valid segment index?
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for side in range(2): # look at both sides of the segment
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if grainNeighbors[leg][side] in myNeighbors: # count occurrence of grain IDs
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myNeighbors[grainNeighbors[leg][side]] += 1
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else:
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myNeighbors[grainNeighbors[leg][side]] = 1
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if myNeighbors: # do I have any neighbors (i.e., non-bounding box segment)
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candidateGrains = sorted(myNeighbors.iteritems(), key=lambda p: (p[1],p[0]), reverse=True) # sort grain counting
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# most frequent one not yet seen?
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rcData['grainMapping'].append(candidateGrains[0 if candidateGrains[0][0] not in rcData['grainMapping'] else 1][0]) # must be me then
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# special case of bi-crystal situation...
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damask.util.croak(' found {} grains'.format(len(rcData['grain'])))
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rcData['box'] = grains['box'] if 'box' in grains else []
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return rcData
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def init():
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return ["*new_model yes",
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"*select_clear",
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"*reset",
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"*set_nodes off",
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"*elements_solid",
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"*show_view 4",
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"*reset_view",
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"*view_perspective",
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"*redraw",
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]
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def sample(size,aspect,n,xmargin,ymargin):
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cmds = [\
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# gauge
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"*add_points %f %f %f"%(-size*(0.5+xmargin), size*(0.5*aspect+ymargin),0),
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"*add_points %f %f %f"%( size*(0.5+xmargin), size*(0.5*aspect+ymargin),0),
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"*add_points %f %f %f"%( size*(0.5+xmargin),-size*(0.5*aspect+ymargin),0),
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"*add_points %f %f %f"%(-size*(0.5+xmargin),-size*(0.5*aspect+ymargin),0),
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"*set_curve_type line",
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"*add_curves %i %i"%(1,2),
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"*add_curves %i %i"%(3,4),
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"*set_curve_div_type_fix_ndiv",
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"*set_curve_div_num %i"%n,
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"*apply_curve_divisions",
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"1 2 #",
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"*add_curves %i %i"%(2,3), # right side
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"*add_curves %i %i"%(4,1), # left side
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"*set_curve_div_type_fix_ndiv",
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"*set_curve_div_num %i"%n,
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"*apply_curve_divisions",
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"3 4 #",
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]
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return cmds
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def patch(a,n,mesh,rcData):
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cmds = []
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for l in range(len(rcData['point'])): # generate all points
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cmds.append("*add_points %f %f %f"\
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%(rcData['point'][l][0]-a/2.0,rcData['point'][l][1]-a/rcData['dimension'][0]*rcData['dimension'][1]/2.0,0))
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cmds.append(["*set_curve_type line",
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"*set_curve_div_type_fix_ndiv",
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])
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for m in range(len(rcData['segment'])): # generate all curves and subdivide them for overall balanced piece length
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start = rcData['segment'][m][0]
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end = rcData['segment'][m][1]
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cmds.append([\
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"*add_curves %i %i" %(start+rcData['offsetPoints'],
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end +rcData['offsetPoints']),
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"*set_curve_div_num %i"%(max(1,round(math.sqrt((rcData['point'][start][0]-rcData['point'][end][0])**2+\
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(rcData['point'][start][1]-rcData['point'][end][1])**2)/a*n))),
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"*apply_curve_divisions",
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"%i #"%(m+rcData['offsetSegments']),
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])
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grain = 0
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cmds.append('(!)locals["last"] = py_get_int("nelements()")')
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for g in rcData['grain']:
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cmds.append([\
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'(!)locals["first"] = locals["last"]+1',
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"*%s "%mesh+" ".join([str(rcData['offsetSegments']+x) for x in g])+" #",
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'(!)locals["last"] = py_get_int("nelements()")',
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"*select_elements",
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'(?)"%i to %i #"%(locals["first"],locals["last"])',
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"*store_elements grain_%i"%rcData['grainMapping'][grain],
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"all_selected",
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"*select_clear",
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])
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grain += 1
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|
|
|
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_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,grid,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(grid)
|
|
yres = int(xres/xsize*ysize)
|
|
zres = extrusion
|
|
zsize = extrusion*min([xsize/xres,ysize/yres])
|
|
|
|
fftdata = {'fftpoints':[], \
|
|
'grid':(xres,yres,zres), \
|
|
'size':(xsize,ysize,zsize)}
|
|
|
|
frameindex=len(rcData['grain'])+1 # calculate frame index as largest grain index plus one
|
|
dx = xsize/(xres) # calculate step sizes
|
|
dy = ysize/(yres)
|
|
|
|
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+((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 = '<string LIST>',
|
|
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 = '<string LIST>', 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('-g', '--grid', type='int', metavar = 'int',
|
|
dest='grid',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,
|
|
grid = 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:\n'+
|
|
'# \n'+
|
|
'# Column 1-3: right hand average orientation (phi1, PHI, phi2 in radians)\n'+
|
|
'# Column 4-6: left hand average orientation (phi1, PHI, phi2 in radians)\n'+
|
|
'# Column 7: length (in microns)\n'+
|
|
'# Column 8: trace angle (in degrees)\n'+
|
|
'# Column 9-12: x,y coordinates of endpoints (in microns)\n'+
|
|
'# 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]))+
|
|
str(np.linalg.norm(first-second))+
|
|
'0'+
|
|
' '.join(map(str,first))+
|
|
' '.join(map(str,second))+
|
|
' '.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)...')
|
|
|
|
# ----- generate material.config -----
|
|
|
|
if any(output in options.output for output in ['spectral','mentat']):
|
|
config = []
|
|
config.append('<microstructure>')
|
|
|
|
for i,grain in enumerate(rcData['grainMapping']):
|
|
config+=['[grain{}]'.format(grain),
|
|
'crystallite\t1',
|
|
'(constituent)\tphase 1\ttexture {}\tfraction 1.0'.format(i+1)]
|
|
if (options.xmargin > 0.0):
|
|
config+=['[x-margin]',
|
|
'crystallite\t1',
|
|
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
|
if (options.ymargin > 0.0):
|
|
config+=['[y-margin]',
|
|
'crystallite\t1',
|
|
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
|
if (options.xmargin > 0.0 and options.ymargin > 0.0):
|
|
config+=['[xy-margin]',
|
|
'crystallite\t1',
|
|
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
|
|
|
if (options.xmargin > 0.0 or options.ymargin > 0.0):
|
|
config.append('[margin]')
|
|
|
|
config.append('<texture>')
|
|
for grain in rcData['grainMapping']:
|
|
config+=['[grain{}]'.format(grain),
|
|
'(gauss)\tphi1\t%f\tphi\t%f\tphi2\t%f\tscatter\t%f\tfraction\t1.0'\
|
|
%(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):
|
|
config+=['[margin]',
|
|
'(random)\t\tscatter\t0.0\tfraction\t1.0']
|
|
|
|
# ----- write spectral geom -----
|
|
|
|
if 'spectral' in options.output:
|
|
fftdata = fftbuild(rcData, options.size, options.xmargin, options.ymargin, options.grid, options.extrusion)
|
|
|
|
table = damask.ASCIItable(outname = myName+'_'+str(int(fftdata['grid'][0]))+'.geom',
|
|
labeled = False,
|
|
buffered = False)
|
|
table.labels_clear()
|
|
table.info_clear()
|
|
table.info_append([
|
|
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
|
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=fftdata['grid']),
|
|
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=fftdata['size']),
|
|
"homogenization\t1",
|
|
])
|
|
table.info_append(config)
|
|
table.head_write()
|
|
|
|
table.data = np.array(fftdata['fftpoints']*options.extrusion).\
|
|
reshape(fftdata['grid'][1]*fftdata['grid'][2],fftdata['grid'][0])
|
|
formatwidth = 1+int(math.log10(np.max(table.data)))
|
|
table.data_writeArray('%%%ii'%(formatwidth),delimiter=' ')
|
|
table.close()
|
|
|
|
|
|
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['size'][0],12,options.xmargin,options.ymargin),
|
|
patch(options.size,options.grid,options.mesh,rcData),
|
|
gage(options.mesh,rcData),
|
|
]
|
|
|
|
if not options.twoD:
|
|
cmds += [expand3D(options.size*(1.0+2.0*options.xmargin)/options.grid*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.grid*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...')
|
|
|
|
with open(myName+'.config','w') as configFile:
|
|
configFile.write('\n'.join(config))
|