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DAMASK_EICMD
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several improvements 

- more error checking
- order of points can be arbitrary also for microstructure input
- grouping of same orientation/phase combinations
This commit is contained in:
Martin Diehl 2019-05-30 10:31:27 +02:00
parent 931fa9d36a
commit 510b55df50
1 changed files with 31 additions and 55 deletions
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76
processing/pre/geom_fromTable.py Executable file → Normal file
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@ -54,12 +54,14 @@ parser.set_defaults(homogenization = 1,
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
input = [ options.quaternion is not None, input = [options.quaternion is not None,
options.microstructure is not None, options.microstructure is not None,
] ]
if np.sum(input) != 1: if np.sum(input) != 1:
parser.error('need either microstructure label or exactly one orientation input format.') parser.error('need either microstructure or quaternion (and optionally phase) as input.')
if options.microstructure is not None and options.phase is not None:
parser.error('need either microstructure or phase (and mandatory quaternion) as input.')
if options.axes is not None and not set(options.axes).issubset(set(['x','+x','-x','y','+y','-y','z','+z','-z'])): if options.axes is not None and not set(options.axes).issubset(set(['x','+x','-x','y','+y','-y','z','+z','-z'])):
parser.error('invalid axes {} {} {}.'.format(*options.axes)) parser.error('invalid axes {} {} {}.'.format(*options.axes))
@ -106,72 +108,46 @@ for name in filenames:
origin = mincorner - 0.5*size/grid # shift from cell center to corner origin = mincorner - 0.5*size/grid # shift from cell center to corner
# ------------------------------------------ process data ------------------------------------------ indices = np.lexsort((table.data[:,0],table.data[:,1],table.data[:,2])) # indices of position when sorting x fast, z slow
microstructure = np.empty(grid,dtype = int) # initialize empty microstructure
colOri = table.label_index(label)+(3-coordDim) # column(s) of orientation data followed by 3 coordinates i = 0
if inputtype == 'microstructure': if inputtype == 'microstructure':
for z in range(grid[2]):
for y in range(grid[1]):
for x in range(grid[0]):
microstructure[x,y,z] = table.data[indices[i],3]
i+=1
grain = table.data[:,colOri] config_header = []
nGrains = len(np.unique(grain))
elif inputtype == 'quaternion': elif inputtype == 'quaternion':
unique,unique_inverse = np.unique(table.data[:,3:8],return_inverse=True,axis=0)
colPhase = -1 # column of phase data comes last
index = np.lexsort((table.data[:,0],table.data[:,1],table.data[:,2])) # index of position when sorting x fast, z slow
grain = -np.ones(grid.prod(),dtype = int) # initialize empty microstructure
orientations = [] # orientations
multiplicity = [] # orientation multiplicity (number of group members)
phases = [] # phase info
nGrains = 0 # counter for detected grains
existingGrains = np.arange(nGrains)
myPos = 0 # position (in list) of current grid point
for z in range(grid[2]): for z in range(grid[2]):
for y in range(grid[1]): for y in range(grid[1]):
for x in range(grid[0]): for x in range(grid[0]):
microstructure[x,y,z] = unique_inverse[indices[i]]+1
i+=1
myData = table.data[index[myPos]] # read data for current grid point
myPhase = int(myData[colPhase])
o = damask.Rotation(myData[colOri:colOri+4])
grain[myPos] = nGrains # assign new grain to me ...
nGrains += 1 # ... and update counter
orientations.append(o) # store new orientation for future comparison
multiplicity.append(1) # having single occurrence so far
phases.append(myPhase) # store phase info for future reporting
existingGrains = np.arange(nGrains) # update list of existing grains
myPos += 1
grain += 1 # offset from starting index 0 to 1
formatwidth = 1+int(np.log10(nGrains))
if inputtype == 'microstructure':
config_header = []
else:
config_header = ['<microstructure>'] config_header = ['<microstructure>']
for i,phase in enumerate(phases): for i,data in enumerate(unique):
config_header += ['[Grain%s]'%(str(i+1).zfill(formatwidth)), config_header += ['[Grain{}]'.format(i+1),
'crystallite 1', 'crystallite 1',
'(constituent)\tphase %i\ttexture %s\tfraction 1.0'%(phase,str(i+1).rjust(formatwidth)), '(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(int(data[4]),i+1),
] ]
config_header += ['<texture>'] config_header += ['<texture>']
for i,orientation in enumerate(orientations): for i,data in enumerate(unique):
config_header += ['[Grain%s]'%(str(i+1).zfill(formatwidth)), ori = damask.Rotation(data[0:4])
'(gauss)\tphi1 %g\tPhi %g\tphi2 %g'%tuple(orientation.asEulers(degrees = True)), config_header += ['[Grain{}]'.format(i+1),
'(gauss)\tphi1 {:g}\tPhi {:g}\tphi2 {:g}'.format(*ori.asEulers(degrees = True)),
] ]
if options.axes is not None: config_header += ['axes\t{} {} {}'.format(*options.axes)] if options.axes is not None: config_header += ['axes\t{} {} {}'.format(*options.axes)]
header = [scriptID + ' ' + ' '.join(sys.argv[1:])] + config_header + ['origin x {} y {} z {}'.format(*origin)] header = [scriptID + ' ' + ' '.join(sys.argv[1:])]\
geom = damask.Geom(grain.reshape(grid,order='F'),size, + config_header
geom = damask.Geom(microstructure,size,origin,
homogenization=options.homogenization,comments=header) homogenization=options.homogenization,comments=header)
damask.util.croak(geom) damask.util.croak(geom)