DAMASK_EICMD/processing/pre/geom_fromVPSC.py

#!/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 = '$Id$'
scriptName = scriptID.split()[1]

#--------------------------------------------------------------------------------------------------
#                                MAIN
#--------------------------------------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
Generate geometry description and material configuration from input files used by R.A. Lebensohn

""", version = scriptID)

parser.add_option('--column',          dest='column', type='int', metavar = 'int', \
                  help='data column to discriminate phase 1 from 2 [%default]')
parser.add_option('-t','--treshold',  dest='threshold', type='float', metavar = 'float', \
                  help='threshold value to discriminate phase 1 from 2 [%default]')
parser.add_option('--homogenization', dest='homogenization', type='int', metavar = 'int', \
                  help='homogenization index to be used [%default]')
parser.add_option('--phase', dest='phase', type='int', nargs = 2, metavar = 'int int', \
                  help='two phase indices to be used %default')
parser.add_option('--crystallite', dest='crystallite', type='int', metavar = 'int', \
                  help='crystallite index to be used [%default]')
parser.add_option('-c', '--configuration', dest='config', action='store_true', \
                  help='output material configuration [%default]')

parser.set_defaults(column = 7)
parser.set_defaults(threshold = 1.0)
parser.set_defaults(homogenization = 1)
parser.set_defaults(phase          = [1,2])
parser.set_defaults(crystallite    = 1)
parser.set_defaults(config = False)

(options,filenames) = parser.parse_args()

#--- 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:
  if file['name'] != 'STDIN': file['croak'].write(file['name']+'\n')

  info = {
          'grid':   np.zeros(3,'i'),
          'size':   np.zeros(3,'d'),
          'origin': np.zeros(3,'d'),
          'microstructures': 0,
          'homogenization':  options.homogenization
         }

  needInfo       = [True,True,True]
  microstructure = ['<microstructure>']
  texture        = ['<texture>']

  point          = 0
  for line in file['input']:
    if line.strip():
      point += 1
      words = line.split()
      currPos = map(float,words[3:6])
      for i in xrange(3):
        if currPos[i] > info['grid'][i]: 
          info['size'][i] = currPos[i]
          info['grid'][i]+=1
      if options.config:                                                                            # write configuration (line by line)
        me = str(point)
        microstructure += ['[Grain%s]\n'%me + \
                           'crystallite\t%i\n'%options.crystallite + \
                           '(constituent)\tphase %s\ttexture %s\tfraction 1.0\n'%(options.phase[{True:0,False:1}[float(words[options.column-1])<options.threshold]],me)
                          ]
        texture +=        ['[Grain%s]\n'%me + \
                           '(gauss)\tphi1 %s\tPhi %s\tphi2 %s\tscatter 0.0\tfraction 1.0\n'%tuple(words[:3])
                          ]
  info['microstructures'] = info['grid'][0]*info['grid'][1]*info['grid'][2]

#--- 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')
    sys.exit()
  if np.any(info['size'] <= 0.0):
    file['croak'].write('invalid size x y z.\n')
    sys.exit()

#--- write data -----------------------------------------------------------------------------------
  if options.config:
    file['output'].write('\n'.join(microstructure) + \
                         '\n'.join(texture))
  else:
    header = [scriptID + ' ' + ' '.join(sys.argv[1:])+'\n']
    header.append("grid\ta %i\tb %i\tc %i\n"%(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],))
    header.append("origin\tx %f\ty %f\tz %f\n"%(info['origin'][0],info['origin'][1],info['origin'][2],))
    header.append("microstructures\t%i\n"%info['microstructures'])
    header.append("homogenization\t%i\n"%info['homogenization'])
    file['output'].write('%i\theader\n'%(len(header))+''.join(header))
    file['output'].write("1 to %i\n"%(info['microstructures']))

#--- output finalization --------------------------------------------------------------------------  
  if file['name'] != 'STDIN':
    file['output'].close()  
    os.rename(file['name']+'_tmp',os.path.splitext(file['name'])[0] + \
                                  {True: '_material.config',
                                   False:'.geom'}[options.config])