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DAMASK_EICMD
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polishing and simplifications

This commit is contained in:
Philip Eisenlohr 2014-11-14 14:53:48 +00:00
parent 733e85f6e6
commit deee3a175a
1 changed files with 45 additions and 48 deletions
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89
processing/pre/geom_fromAng.py
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@ -20,37 +20,36 @@ Two phases can be discriminated based on threshold value in a given data column.
""", version = scriptID) """, version = scriptID)
parser.add_option('--column', dest='column', type='int', metavar = 'int', \ parser.add_option('--column', dest='column', type='int', metavar = 'int', \
help='data column to discriminate phase 1 from 2 [%default]') help='data column to discriminate between both phases [%default]')
parser.add_option('-t','--threshold', dest='threshold', type='float', metavar = 'float', \ parser.add_option('-t','--threshold', dest='threshold', type='float', metavar = 'float', \
help='threshold value to discriminate phase 1 from 2 [%default]') help='threshold value for phase discrimination [%default]')
parser.add_option('--homogenization', dest='homogenization', type='int', metavar = 'int', \ parser.add_option('--homogenization', dest='homogenization', type='int', metavar = 'int', \
help='homogenization index to be used [%default]') help='homogenization index for <microstructure> configuration [%default]')
parser.add_option('--phase', dest='phase', type='int', nargs = 2, metavar = 'int int', \ parser.add_option('--phase', dest='phase', type='int', nargs = 2, metavar = 'int int', \
help='two phase indices to be used %default') help='phase indices for <microstructure> configuration %default')
parser.add_option('--crystallite', dest='crystallite', type='int', metavar = 'int', \ parser.add_option('--crystallite', dest='crystallite', type='int', metavar = 'int', \
help='crystallite index to be used [%default]') help='crystallite index for <microstructure> configuration [%default]')
parser.add_option('-c', '--configuration', dest='config', action='store_true', \ parser.add_option('-c', '--configuration', dest='config', action='store_true', \
help='output material configuration [%default]') help='output material configuration [%default]')
parser.add_option('--compress', dest='compress', action='store_true', \ parser.add_option('--compress', dest='compress', action='store_true', \
help='search for matching mircrostructure and texture and lump them [%default]') help='lump identical microstructure and texture information [%default]')
parser.add_option('-a', '--axes', dest='axes', nargs = 3, metavar = 'string string string', \ parser.add_option('-a', '--axes', dest='axes', nargs = 3, metavar = 'string string string', \
help='axes assignement of eulerangles x,y,z = %default') help='Euler angle coordinate system for <texture> configuration x,y,z = %default')
parser.set_defaults(column = 11) parser.set_defaults(column = 11)
parser.set_defaults(threshold = 0.5) parser.set_defaults(threshold = 0.5)
parser.set_defaults(homogenization = 1) parser.set_defaults(homogenization = 1)
parser.set_defaults(phase = [1,2]) parser.set_defaults(phase = [1,2])
parser.set_defaults(crystallite = 1) parser.set_defaults(crystallite = 1)
parser.set_defaults(config = False) parser.set_defaults(config = False)
parser.set_defaults(compress= False) parser.set_defaults(compress = False)
parser.set_defaults(axes = ['y','x','-z']) parser.set_defaults(axes = ['y','x','-z'])
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
for i in options.axes: for i in options.axes:
if i.lower() not in ['x','+x','-x','y','+y','-y','z','+z','-z']: if i.lower() not in ['x','+x','-x','y','+y','-y','z','+z','-z']:
file['croak'].write('invalid axes %s %s %s' %(options.axes[0],options.axes[1],options.axes[2])) parser.error('invalid axes %s %s %s' %(options.axes[0],options.axes[1],options.axes[2]))
sys.exit()
#--- setup file handles --------------------------------------------------------------------------- #--- setup file handles ---------------------------------------------------------------------------
files = [] files = []
@ -72,60 +71,59 @@ else:
#--- loop over input files ------------------------------------------------------------------------ #--- loop over input files ------------------------------------------------------------------------
for file in files: for file in files:
if file['name'] != 'STDIN': file['croak'].write('\033[1m'+scriptName+'\033[0m: '+file['name']+'\n') file['croak'].write('\033[1m' + scriptName + '\033[0m: ' + (file['name'] if file['name'] != 'STDIN' else '') + '\n')
else: file['croak'].write('\033[1m'+scriptName+'\033[0m\n')
info = { info = {
'grid': np.ones (3,'i'), 'grid': np.ones (3,'i'),
'size': np.zeros(3,'d'), 'size': np.zeros(3,'d'),
'origin': np.zeros(3,'d'), 'origin': np.zeros(3,'d'),
'microstructures': 0, 'microstructures': 0,
'homogenization': options.homogenization 'homogenization': options.homogenization,
} }
step = [0,0] step = [0,0]
point = 0 point = 0
for line in file['input']: for line in file['input']:
words = line.split() words = line.split()
if words[0] == '#': # process initial comments block if words[0] == '#': # process initial comments block
if len(words) > 2: if len(words) > 2:
if words[2].lower() == 'hexgrid': if words[2].lower() == 'hexgrid':
file['croak'].write('The file has HexGrid format. Please first convert to SquareGrid...\n') file['croak'].write('The file has HexGrid format. Please first convert to SquareGrid...\n')
sys.exit() break
if words[1] == 'XSTEP:': step[0] = float(words[2]) if words[1] == 'XSTEP:': step[0] = float(words[2])
if words[1] == 'YSTEP:': step[1] = float(words[2]) if words[1] == 'YSTEP:': step[1] = float(words[2])
if words[1] == 'NCOLS_ODD:': if words[1] == 'NCOLS_ODD:':
info['grid'][0] = int(words[2]) info['grid'][0] = int(words[2])
eulerangles = np.zeros((info['grid'][0]*info['grid'][1],3),dtype='f') eulerangles = np.zeros((info['grid'][0]*info['grid'][1],3),dtype='f')
phase = np.zeros(info['grid'][0]*info['grid'][1],dtype='i') phase = np.zeros(info['grid'][0]*info['grid'][1],dtype='i')
if words[1] == 'NROWS:': if words[1] == 'NROWS:':
info['grid'][1] = int(words[2]) info['grid'][1] = int(words[2])
eulerangles = np.zeros((info['grid'][0]*info['grid'][1],3),dtype='f') eulerangles = np.zeros((info['grid'][0]*info['grid'][1],3),dtype='f')
phase = np.zeros(info['grid'][0]*info['grid'][1],dtype='i') phase = np.zeros(info['grid'][0]*info['grid'][1],dtype='i')
else: # finished with comments block else: # finished with comments block
phase[point] = options.phase[{True:0,False:1}[float(words[options.column-1])<options.threshold]] phase[point] = options.phase[int(float(words[options.column-1]) > options.threshold)]
eulerangles[point,...] = map(lambda x: float(x)*180.0/math.pi, words[:3]) eulerangles[point,...] = map(math.degrees, words[:3])
point += 1 point += 1
if info['grid'].prod() != point: if info['grid'].prod() != point:
file['croak'].write('Error: found %s microstructures. Header info in ang file might be wrong.\n'%point) file['croak'].write('Error: found %s microstructures. Header info in ang file might be wrong.\n'%point)
sys.exit() continue
if options.compress: if options.compress:
texture = [] texture = []
microstructure = [] microstructure = []
otherPoint=-1 # ensure to create first microstructure otherPoint = -1 # ensure to create first microstructure
matPoints = np.zeros(info['grid'][0]*info['grid'][1],dtype='i') # Index of microstructure in geom file matPoints = np.zeros(info['grid'].prod(),dtype='i') # index of microstructure in geom file
for myPoint in xrange(info['grid'][0]*info['grid'][1]): for myPoint in xrange(info['grid'].prod()):
myTexture=-1 myTexture = -1
for otherPoint in xrange(len(microstructure)): for otherPoint in xrange(len(microstructure)):
otherEulers = eulerangles[texture[microstructure[otherPoint][0]]] otherEulers = eulerangles[texture[microstructure[otherPoint][0]]]
otherPhase = phase[microstructure[otherPoint][1]] otherPhase = phase[microstructure[otherPoint][1]]
if all(eulerangles[myPoint]==otherEulers) and phase[myPoint] == otherPhase: # common microstructure if all(eulerangles[myPoint]==otherEulers) and phase[myPoint] == otherPhase: # common microstructure
matPoints[myPoint] = otherPoint+1 # use other points microstructure matPoints[myPoint] = otherPoint+1 # use other points microstructure
otherPoint =-2 # never create new microstructure otherPoint = -2 # never create new microstructure
break break
elif all(eulerangles[myPoint]==otherEulers): # found common texture and store it elif all(eulerangles[myPoint] == otherEulers): # found common texture and store it
myTexture = microstructure[otherPoint][0] myTexture = microstructure[otherPoint][0]
if otherPoint == len(microstructure)-1: # did not found matching microstructure if otherPoint == len(microstructure)-1: # did not found matching microstructure
if myTexture == -1: # did not even found matching texture if myTexture == -1: # did not even found matching texture
@ -133,7 +131,7 @@ for file in files:
myTexture = myPoint myTexture = myPoint
microstructure.append([myTexture,phase[myPoint-1]]) # here, the counter is one more than in the line above! 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 matPoints[myPoint] = len(microstructure) # use the new microstructure
print texture,microstructure file['croak'].write("%i %i\n"%(texture,microstructure))
else: else:
texture = [i for i in xrange(info['grid'][0]*info['grid'][1])] 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])] microstructure = [[i,phase[i]] for i in xrange(info['grid'][0]*info['grid'][1])]
@ -150,7 +148,7 @@ for file in files:
for i in xrange(len(microstructure)): for i in xrange(len(microstructure)):
microstructureOut += ['[Grain%s]\n'%str(i+1).zfill(formatOut) + \ microstructureOut += ['[Grain%s]\n'%str(i+1).zfill(formatOut) + \
'crystallite\t%i\n'%options.crystallite + \ 'crystallite\t%i\n'%options.crystallite + \
'(constituent)\tphase %i\ttexture %s\tfraction 1.0\n'%(microstructure[i][1],microstructure[i][0]+1) '(constituent)\tphase %i\ttexture %i\tfraction 1.0\n'%(microstructure[i][1],microstructure[i][0]+1)
] ]
info['microstructures'] = len(microstructure) info['microstructures'] = len(microstructure)
@ -165,24 +163,24 @@ for file in files:
if np.any(info['grid'] < 1): if np.any(info['grid'] < 1):
file['croak'].write('invalid grid a b c.\n') file['croak'].write('invalid grid a b c.\n')
sys.exit() continue
if np.any(info['size'] <= 0.0): if np.any(info['size'] <= 0.0):
file['croak'].write('invalid size x y z.\n') file['croak'].write('invalid size x y z.\n')
sys.exit() continue
#--- write data ----------------------------------------------------------------------------------- #--- write data -----------------------------------------------------------------------------------
if options.config: if options.config:
file['output'].write('\n'.join(microstructureOut) + \ file['output'].write('\n'.join(microstructureOut+ textureOut) + '\n')
'\n'.join(textureOut))
else: else:
header = [scriptID + ' ' + ' '.join(sys.argv[1:]) + '\n'] header = [' '.join([scriptID] + sys.argv[1:]),
header.append("grid\ta %i\tb %i\tc %i\n"%(info['grid'][0],info['grid'][1],info['grid'][2],)) "grid\ta %i\tb %i\tc %i"%(info['grid'][0],info['grid'][1],info['grid'][2],),
header.append("size\tx %f\ty %f\tz %f\n"%(info['size'][0],info['size'][1],info['size'][2],)) "size\tx %f\ty %f\tz %f"%(info['size'][0],info['size'][1],info['size'][2],),
header.append("origin\tx %f\ty %f\tz %f\n"%(info['origin'][0],info['origin'][1],info['origin'][2],)) "origin\tx %f\ty %f\tz %f"%(info['origin'][0],info['origin'][1],info['origin'][2],),
header.append("microstructures\t%i\n"%info['microstructures']) "microstructures\t%i"%info['microstructures'],
header.append("homogenization\t%i\n"%info['homogenization']) "homogenization\t%i"%info['homogenization'],
file['output'].write('%i\theader\n'%(len(header))+''.join(header)) ]
file['output'].write('\n'.join(['%i\theader'%(len(header))] + header) + '\n')
if options.compress: if options.compress:
matPoints = matPoints.reshape((info['grid'][1],info['grid'][0])) 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') np.savetxt(file['output'],matPoints,fmt='%0'+str(1+int(math.log10(np.amax(matPoints))))+'d')
@ -192,6 +190,5 @@ for file in files:
#--- output finalization -------------------------------------------------------------------------- #--- output finalization --------------------------------------------------------------------------
if file['name'] != 'STDIN': if file['name'] != 'STDIN':
file['output'].close() file['output'].close()
os.rename(file['name']+'_tmp',os.path.splitext(file['name'])[0] + \ os.rename(file['name']+'_tmp',
{True: '_material.config', os.path.splitext(file['name'])[0] + '_material.config' if options.config else '.geom')
False:'.geom'}[options.config])