DAMASK_EICMD/processing/pre/geom_fromAng.py

196 lines
10 KiB
Python
Executable File

#!/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('$Id$','\n','\\n')
scriptName = scriptID.split()[1][:-3]
#--------------------------------------------------------------------------------------------------
# MAIN
#--------------------------------------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
Generate geometry description and material configuration from EBSD data in given square-gridded 'ang' file.
Two phases can be discriminated based on threshold value in a given data column.
""", version = scriptID)
parser.add_option('--column', dest='column', type='int', metavar = 'int', \
help='data column to discriminate between both phases [%default]')
parser.add_option('-t','--threshold', dest='threshold', type='float', metavar = 'float', \
help='threshold value for phase discrimination [%default]')
parser.add_option('--homogenization', dest='homogenization', type='int', metavar = 'int', \
help='homogenization index for <microstructure> configuration [%default]')
parser.add_option('--phase', dest='phase', type='int', nargs = 2, metavar = 'int int', \
help='phase indices for <microstructure> configuration %default')
parser.add_option('--crystallite', dest='crystallite', type='int', metavar = 'int', \
help='crystallite index for <microstructure> configuration [%default]')
parser.add_option('-c', '--configuration', dest='config', action='store_true', \
help='output material configuration [%default]')
parser.add_option('--compress', dest='compress', action='store_true', \
help='lump identical microstructure and texture information [%default]')
parser.add_option('-a', '--axes', dest='axes', nargs = 3, metavar = 'string string string', \
help='Euler angle coordinate system for <texture> configuration x,y,z = %default')
parser.set_defaults(column = 11)
parser.set_defaults(threshold = 0.5)
parser.set_defaults(homogenization = 1)
parser.set_defaults(phase = [1,2])
parser.set_defaults(crystallite = 1)
parser.set_defaults(config = False)
parser.set_defaults(compress = False)
parser.set_defaults(axes = ['y','x','-z'])
(options,filenames) = parser.parse_args()
for i in options.axes:
if i.lower() not in ['x','+x','-x','y','+y','-y','z','+z','-z']:
parser.error('invalid axes %s %s %s' %(options.axes[0],options.axes[1],options.axes[2]))
#--- setup file handles ---------------------------------------------------------------------------
files = []
if filenames == []:
files.append({'name':'STDIN',
'input':sys.stdin,
'output':sys.stdout,
'croak':sys.stderr,
})
else:
for name in filenames:
if os.path.exists(name):
files.append({'name':name,
'input':open(name),
'output':open(name+'_tmp','w'),
'croak':sys.stdout,
})
#--- loop over input files ------------------------------------------------------------------------
for file in files:
file['croak'].write('\033[1m' + scriptName + '\033[0m: ' + (file['name'] if file['name'] != 'STDIN' else '') + '\n')
info = {
'grid': np.ones (3,'i'),
'size': np.zeros(3,'d'),
'origin': np.zeros(3,'d'),
'microstructures': 0,
'homogenization': options.homogenization,
}
step = [0,0]
point = 0
for line in file['input']:
words = line.split()
if words[0] == '#': # process initial comments block
if len(words) > 2:
if words[2].lower() == 'hexgrid':
file['croak'].write('The file has HexGrid format. Please first convert to SquareGrid...\n')
break
if words[1] == 'XSTEP:': step[0] = float(words[2])
if words[1] == 'YSTEP:': step[1] = float(words[2])
if words[1] == 'NCOLS_ODD:':
info['grid'][0] = int(words[2])
eulerangles = np.zeros((info['grid'][0]*info['grid'][1],3),dtype='f')
phase = np.zeros(info['grid'][0]*info['grid'][1],dtype='i')
if words[1] == 'NROWS:':
info['grid'][1] = int(words[2])
eulerangles = np.zeros((info['grid'][0]*info['grid'][1],3),dtype='f')
phase = np.zeros(info['grid'][0]*info['grid'][1],dtype='i')
else: # finished with comments block
phase[point] = options.phase[int(float(words[options.column-1]) > options.threshold)]
eulerangles[point,...] = map(lambda x: math.degrees(float(x)), words[:3])
point += 1
if info['grid'].prod() != point:
file['croak'].write('Error: found %s microstructures. Header info in ang file might be wrong.\n'%point)
continue
if options.compress:
texture = []
microstructure = []
otherPoint = -1 # ensure to create first microstructure
matPoints = np.zeros(info['grid'].prod(),dtype='i') # index of microstructure in geom file
for myPoint in xrange(info['grid'].prod()):
myTexture = -1
for otherPoint in xrange(len(microstructure)):
otherEulers = eulerangles[texture[microstructure[otherPoint][0]]]
otherPhase = phase[microstructure[otherPoint][1]]
if all(eulerangles[myPoint]==otherEulers) and phase[myPoint] == otherPhase: # common microstructure
matPoints[myPoint] = otherPoint+1 # use other points microstructure
otherPoint = -2 # never create new microstructure
break
elif all(eulerangles[myPoint] == otherEulers): # found common texture and store it
myTexture = microstructure[otherPoint][0]
if otherPoint == len(microstructure)-1: # did not found matching microstructure
if myTexture == -1: # did not even found matching texture
texture.append(myPoint)
myTexture = myPoint
microstructure.append([myTexture,phase[myPoint-1]]) # here, the counter is one more than in the line above!
matPoints[myPoint] = len(microstructure) # use the new microstructure
file['croak'].write("%i %i\n"%(texture,microstructure))
else:
texture = [i for i in xrange(info['grid'][0]*info['grid'][1])]
microstructure = [[i,phase[i]] for i in xrange(info['grid'][0]*info['grid'][1])]
formatOut = 1+int(math.log10(len(texture)))
textureOut =['\n\n<texture>']
for i in xrange(len(texture)):
textureOut += ['[Texture%s]\n'%str(i+1).zfill(formatOut) + \
'axes %s %s %s\n'%(options.axes[0],options.axes[1],options.axes[2]) +\
'(gauss)\tphi1 %4.2f\tPhi %4.2f\tphi2 %4.2f\tscatter 0.0\tfraction 1.0\n'%tuple(eulerangles[texture[i],...])
]
formatOut = 1+int(math.log10(len(microstructure)))
microstructureOut =['<microstructure>']
for i in xrange(len(microstructure)):
microstructureOut += ['[Grain%s]\n'%str(i+1).zfill(formatOut) + \
'crystallite\t%i\n'%options.crystallite + \
'(constituent)\tphase %i\ttexture %i\tfraction 1.0\n'%(microstructure[i][1],microstructure[i][0]+1)
]
info['microstructures'] = len(microstructure)
info['size'] = step[0]*info['grid'][0],step[1]*info['grid'][1],min(step)
#--- report ---------------------------------------------------------------------------------------
file['croak'].write('grid a b c: %s\n'%(' x '.join(map(str,info['grid']))) + \
'size x y z: %s\n'%(' x '.join(map(str,info['size']))) + \
'origin x y z: %s\n'%(' : '.join(map(str,info['origin']))) + \
'homogenization: %i\n'%info['homogenization'] + \
'microstructures: %i\n\n'%info['microstructures'])
if np.any(info['grid'] < 1):
file['croak'].write('invalid grid a b c.\n')
continue
if np.any(info['size'] <= 0.0):
file['croak'].write('invalid size x y z.\n')
continue
#--- write data -----------------------------------------------------------------------------------
if options.config:
file['output'].write('\n'.join(microstructureOut+ textureOut) + '\n')
else:
header = [' '.join([scriptID] + sys.argv[1:]),
"grid\ta %i\tb %i\tc %i"%(info['grid'][0],info['grid'][1],info['grid'][2],),
"size\tx %f\ty %f\tz %f"%(info['size'][0],info['size'][1],info['size'][2],),
"origin\tx %f\ty %f\tz %f"%(info['origin'][0],info['origin'][1],info['origin'][2],),
"microstructures\t%i"%info['microstructures'],
"homogenization\t%i"%info['homogenization'],
]
file['output'].write('\n'.join(['%i\theader'%(len(header))] + header) + '\n')
if options.compress:
matPoints = matPoints.reshape((info['grid'][1],info['grid'][0]))
np.savetxt(file['output'],matPoints,fmt='%0'+str(1+int(math.log10(np.amax(matPoints))))+'d')
else:
file['output'].write("1 to %i\n"%(info['microstructures']))
#--- output finalization --------------------------------------------------------------------------
if file['name'] != 'STDIN':
file['output'].close()
print os.path.splitext(file['name'])[0]
os.rename(file['name']+'_tmp',
os.path.splitext(file['name'])[0] +'%s'%('_material.config' if options.config else '.geom'))