added --compress option: for ang files filtered to have single orientation in grain (OIM filter), microstructure and texture in material.config are compressed
This commit is contained in:
Martin Diehl
parent
3c2af8e7a6
commit
7a9fa061de
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@ -1,7 +1,7 @@
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#!/usr/bin/env python
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# -*- coding: UTF-8 no BOM -*-
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import os,sys,math,string,numpy
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import os,sys,math,string,numpy as np
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from optparse import OptionParser, OptionGroup, Option, SUPPRESS_HELP
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scriptID = '$Id$'
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@ -25,7 +25,6 @@ class extendableOption(Option):
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else:
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Option.take_action(self, action, dest, opt, value, values, parser)
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#--------------------------------------------------------------------------------------------------
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# MAIN
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#--------------------------------------------------------------------------------------------------
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@ -48,6 +47,8 @@ parser.add_option('--crystallite', dest='crystallite', type='int', metav
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help='crystallite index to be used [%default]')
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parser.add_option('-c', '--configuration', dest='config', action='store_true', \
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help='output material configuration [%default]')
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parser.add_option('--compress', dest='compress', action='store_true', \
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help='search for matching mircrostructure and texture and lump them [%default]')
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parser.add_option('-a', '--axes', dest='axes', type='string', nargs = 3, metavar = 'string string string', \
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help='axes assignement of eulerangles x,y,z = %default')
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@ -58,6 +59,7 @@ parser.set_defaults(homogenization = 1)
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parser.set_defaults(phase = [1,2])
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parser.set_defaults(crystallite = 1)
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parser.set_defaults(config = False)
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parser.set_defaults(compress= False)
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parser.set_defaults(axes = ['y','x','-z'])
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(options,filenames) = parser.parse_args()
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@ -90,17 +92,14 @@ for file in files:
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else: file['croak'].write('\033[1m'+scriptName+'\033[0m\n')
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info = {
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'grid': numpy.ones (3,'i'),
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'size': numpy.zeros(3,'d'),
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'origin': numpy.zeros(3,'d'),
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'grid': np.ones (3,'i'),
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'size': np.zeros(3,'d'),
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'origin': np.zeros(3,'d'),
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'microstructures': 0,
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'homogenization': options.homogenization
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}
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microstructure = ['<microstructure>']
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texture = ['<texture>']
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step = [0,0]
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point = 0
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for line in file['input']:
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words = line.split()
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@ -112,22 +111,66 @@ for file in files:
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if words[1] == 'XSTEP:': step[0] = float(words[2])
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if words[1] == 'YSTEP:': step[1] = float(words[2])
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if words[1] == 'NCOLS_ODD:':
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info['grid'][0] = int(words[2]); formatwidth = 1+int(math.log10(info['grid'][0]*info['grid'][1]))
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info['grid'][0] = int(words[2])
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eulerangles = np.zeros((info['grid'][0]*info['grid'][1],3),dtype='f')
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phase = np.zeros(info['grid'][0]*info['grid'][1],dtype='i')
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if words[1] == 'NROWS:':
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info['grid'][1] = int(words[2]); formatwidth = 1+int(math.log10(info['grid'][0]*info['grid'][1]))
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info['grid'][1] = int(words[2])
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eulerangles = np.zeros((info['grid'][0]*info['grid'][1],3),dtype='f')
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phase = np.zeros(info['grid'][0]*info['grid'][1],dtype='i')
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else: # finished with comments block
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phase[point] = options.phase[{True:0,False:1}[float(words[options.column-1])<options.threshold]]
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eulerangles[point,...] = map(lambda x: float(x)*180.0/math.pi, words[:3])
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point += 1
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me = str(point).zfill(formatwidth)
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microstructure += ['[Grain%s]\n'%me + \
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'crystallite\t%i\n'%options.crystallite + \
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'(constituent)\tphase %i\ttexture %s\tfraction 1.0\n'%(options.phase[{True:0,False:1}[float(words[options.column-1])<options.threshold]],me)
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]
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texture += ['[Grain%s]\n'%me + \
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'axes %s %s %s\n'%(options.axes[0],options.axes[1],options.axes[2]) +\
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'(gauss)\tphi1 %4.2f\tPhi %4.2f\tphi2 %4.2f\tscatter 0.0\tfraction 1.0\n'%tuple(map(lambda x: float(x)*180.0/math.pi, words[:3]))
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]
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if info['grid'].prod() != point:
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file['croak'].write('Error: found %s microstructures. Header info in ang file might be wrong.\n'%point)
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sys.exit()
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info['microstructures'] = info['grid'][0]*info['grid'][1]
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if options.compress:
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texture = []
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microstructure = []
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otherPoint=-1 # ensure to create first microstructure
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matPoints = np.zeros(info['grid'][0]*info['grid'][1],dtype='i')
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for myPoint in xrange(info['grid'][0]*info['grid'][1]):
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myTexture=-1
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for otherPoint in xrange(len(microstructure)):
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otherEulers = eulerangles[texture[microstructure[otherPoint][0]]]
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otherPhase = phase[[microstructure[otherPoint][1]]]
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if all(eulerangles[myPoint]==otherEulers) and phase[myPoint] == otherPhase: # common microstructure
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matPoints[myPoint] = otherPoint+1 # use other points microstructure
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otherPoint =-4 # in no case, create new microstructure
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break
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elif all(eulerangles[myPoint]==otherEulers): # found common texture and store it
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myTexture = microstructure[otherPoint][0]
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if otherPoint == len(microstructure)-1 or otherPoint == -2: #
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if myTexture == -1:
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texture.append(myPoint)
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myTexture = len(texture)-1
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microstructure.append([myTexture,myPoint])
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matPoints[myPoint] = len(microstructure) # use the new microstructure
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else:
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texture = [i for i in xrange(info['grid'][0]*info['grid'][1])]
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microstructure = [[i+1,phase[i]] for i in xrange(info['grid'][0]*info['grid'][1])]
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matPoints = np.arange(info['grid'][0]*info['grid'][1],dtype='i')
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formatOut = 1+int(math.log10(len(texture)))
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textureOut =['\n\n<texture>']
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for i in xrange(len(texture)):
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textureOut += ['[Texture%s]\n'%str(i+1).zfill(formatOut) + \
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'axes %s %s %s\n'%(options.axes[0],options.axes[1],options.axes[2]) +\
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'(gauss)\tphi1 %4.2f\tPhi %4.2f\tphi2 %4.2f\tscatter 0.0\tfraction 1.0\n'%tuple(eulerangles[texture[i],...])
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]
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formatOut = 1+int(math.log10(len(microstructure)))
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microstructureOut =['<microstructure>']
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for i in xrange(len(microstructure)):
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microstructureOut += ['[Grain%s]\n'%str(i+1).zfill(formatOut) + \
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'crystallite\t%i\n'%options.crystallite + \
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'(constituent)\tphase %i\ttexture %s\tfraction 1.0\n'%(phase[microstructure[i][1]],microstructure[i][0]+1)
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]
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info['microstructures'] = len(microstructure)
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info['size'] = step[0]*info['grid'][0],step[1]*info['grid'][1],min(step)
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#--- report ---------------------------------------------------------------------------------------
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@ -137,20 +180,18 @@ for file in files:
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'homogenization: %i\n'%info['homogenization'] + \
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'microstructures: %i\n\n'%info['microstructures'])
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if numpy.any(info['grid'] < 1):
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if np.any(info['grid'] < 1):
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file['croak'].write('invalid grid a b c.\n')
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sys.exit()
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if numpy.any(info['size'] <= 0.0):
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if np.any(info['size'] <= 0.0):
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file['croak'].write('invalid size x y z.\n')
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sys.exit()
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if info['grid'].prod() != len(microstructure) -1:
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file['croak'].write('found %s microstructures. Header info in ang file might be wrong.\n'%point)
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sys.exit()
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#--- write data -----------------------------------------------------------------------------------
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if options.config:
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file['output'].write('\n'.join(microstructure) + \
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'\n'.join(texture))
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file['output'].write('\n'.join(microstructureOut) + \
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'\n'.join(textureOut))
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else:
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header = [scriptID + ' ' + ' '.join(sys.argv[1:]) + '\n']
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header.append("grid\ta %i\tb %i\tc %i\n"%(info['grid'][0],info['grid'][1],info['grid'][2],))
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@ -159,7 +200,11 @@ for file in files:
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header.append("microstructures\t%i\n"%info['microstructures'])
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header.append("homogenization\t%i\n"%info['homogenization'])
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file['output'].write('%i\theader\n'%(len(header))+''.join(header))
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file['output'].write("1 to %i\n"%(info['microstructures']))
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if options.compress:
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matPoints = matPoints.reshape((info['grid'][1],info['grid'][0]))
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np.savetxt(file['output'],matPoints,fmt='%0'+str(1+int(math.log10(np.amax(matPoints))))+'d')
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else:
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file['output'].write("1 to %i\n"%(info['microstructures']))
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#--- output finalization --------------------------------------------------------------------------
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if file['name'] != 'STDIN':
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