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DAMASK_EICMD
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initial simplification. 

Should be able to generate from table containing either <microstructure>
or <texture> and <phase>
This commit is contained in:
Martin Diehl 2019-02-23 22:06:31 +01:00
parent b3455c825e
commit fff377de7f
1 changed files with 14 additions and 127 deletions
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127
processing/pre/geom_fromTable.py
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@ -32,34 +32,6 @@ parser.add_option('--microstructure',
dest = 'microstructure', dest = 'microstructure',
type = 'string', metavar = 'string', type = 'string', metavar = 'string',
help = 'microstructure label') help = 'microstructure label')
parser.add_option('-t', '--tolerance',
dest = 'tolerance',
type = 'float', metavar = 'float',
help = 'angular tolerance for orientation squashing [%default]')
parser.add_option('-e', '--eulers',
dest = 'eulers',
type = 'string', metavar = 'string',
help = 'Euler angles label')
parser.add_option('-d', '--degrees',
dest = 'degrees',
action = 'store_true',
help = 'all angles are in degrees')
parser.add_option('-m', '--matrix',
dest = 'matrix',
type = 'string', metavar = 'string',
help = 'orientation matrix label')
parser.add_option('-a',
dest='a',
type = 'string', metavar = 'string',
help = 'crystal frame a vector label')
parser.add_option('-b',
dest='b',
type = 'string', metavar = 'string',
help = 'crystal frame b vector label')
parser.add_option('-c',
dest = 'c',
type = 'string', metavar='string',
help = 'crystal frame c vector label')
parser.add_option('-q', '--quaternion', parser.add_option('-q', '--quaternion',
dest = 'quaternion', dest = 'quaternion',
type = 'string', metavar='string', type = 'string', metavar='string',
@ -68,10 +40,7 @@ parser.add_option('--axes',
dest = 'axes', dest = 'axes',
type = 'string', nargs = 3, metavar = ' '.join(['string']*3), type = 'string', nargs = 3, metavar = ' '.join(['string']*3),
help = 'orientation coordinate frame in terms of position coordinate frame [same]') help = 'orientation coordinate frame in terms of position coordinate frame [same]')
parser.add_option('-s', '--symmetry',
dest = 'symmetry',
action = 'extend', metavar = '<string LIST>',
help = 'crystal symmetry of each phase %default {{{}}} '.format(', '.join(damask.Symmetry.lattices[1:])))
parser.add_option('--homogenization', parser.add_option('--homogenization',
dest = 'homogenization', dest = 'homogenization',
type = 'int', metavar = 'int', type = 'int', metavar = 'int',
@ -80,9 +49,7 @@ parser.add_option('--crystallite',
dest = 'crystallite', dest = 'crystallite',
type = 'int', metavar = 'int', type = 'int', metavar = 'int',
help = 'crystallite index to be used [%default]') help = 'crystallite index to be used [%default]')
parser.add_option('--verbose',
dest = 'verbose', action = 'store_true',
help = 'output extra info')
parser.set_defaults(symmetry = [damask.Symmetry.lattices[-1]], parser.set_defaults(symmetry = [damask.Symmetry.lattices[-1]],
tolerance = 0.0, tolerance = 0.0,
@ -95,12 +62,7 @@ parser.set_defaults(symmetry = [damask.Symmetry.lattices[-1]],
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
input = [options.eulers is not None, input = [ options.quaternion is not None,
options.a is not None and \
options.b is not None and \
options.c is not None,
options.matrix is not None,
options.quaternion is not None,
options.microstructure is not None, options.microstructure is not None,
] ]
@ -109,14 +71,9 @@ if np.sum(input) != 1:
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))
(label,dim,inputtype) = [(options.eulers,3,'eulers'), (label,dim,inputtype) = [(options.quaternion,4,'quaternion'),
([options.a,options.b,options.c],[3,3,3],'frame'),
(options.matrix,9,'matrix'),
(options.quaternion,4,'quaternion'),
(options.microstructure,1,'microstructure'), (options.microstructure,1,'microstructure'),
][np.where(input)[0][0]] # select input label that was requested ][np.where(input)[0][0]] # select input label that was requested
toRadians = math.pi/180.0 if options.degrees else 1.0 # rescale all angles to radians
threshold = np.cos(options.tolerance/2.*toRadians) # cosine of (half of) tolerance angle
# --- loop over input files ------------------------------------------------------------------------- # --- loop over input files -------------------------------------------------------------------------
@ -157,10 +114,8 @@ for name in filenames:
if coordDim == 2: if coordDim == 2:
table.data = np.insert(table.data,2,np.zeros(len(table.data)),axis=1) # add zero z coordinate for two-dimensional input table.data = np.insert(table.data,2,np.zeros(len(table.data)),axis=1) # add zero z coordinate for two-dimensional input
if options.verbose: damask.util.croak('extending to 3D...')
if options.phase is None: if options.phase is None:
table.data = np.column_stack((table.data,np.ones(len(table.data)))) # add single phase if no phase column given table.data = np.column_stack((table.data,np.ones(len(table.data)))) # add single phase if no phase column given
if options.verbose: damask.util.croak('adding dummy phase info...')
# --------------- figure out size and grid --------------------------------------------------------- # --------------- figure out size and grid ---------------------------------------------------------
@ -196,17 +151,10 @@ for name in filenames:
grain = table.data[:,colOri] grain = table.data[:,colOri]
nGrains = len(np.unique(grain)) nGrains = len(np.unique(grain))
else: elif inputtype == 'quaternion':
if options.verbose: bg = damask.util.backgroundMessage(); bg.start() # start background messaging
colPhase = -1 # column of phase data comes last colPhase = -1 # column of phase data comes last
if options.verbose: bg.set_message('sorting positions...')
index = np.lexsort((table.data[:,0],table.data[:,1],table.data[:,2])) # index of position when sorting x fast, z slow index = np.lexsort((table.data[:,0],table.data[:,1],table.data[:,2])) # index of position when sorting x fast, z slow
if options.verbose: bg.set_message('building KD tree...')
KDTree = scipy.spatial.KDTree((table.data[index,:3]-mincorner) / delta) # build KDTree with dX = dY = dZ = 1 and origin 0,0,0
statistics = {'global': 0, 'local': 0}
grain = -np.ones(N,dtype = 'int32') # initialize empty microstructure grain = -np.ones(N,dtype = 'int32') # initialize empty microstructure
orientations = [] # orientations orientations = [] # orientations
multiplicity = [] # orientation multiplicity (number of group members) multiplicity = [] # orientation multiplicity (number of group members)
@ -215,73 +163,17 @@ for name in filenames:
existingGrains = np.arange(nGrains) existingGrains = np.arange(nGrains)
myPos = 0 # position (in list) of current grid point myPos = 0 # position (in list) of current grid point
tick = time.clock()
if options.verbose: bg.set_message('assigning grain IDs...')
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]):
if (myPos+1)%(N/500.) < 1:
time_delta = (time.clock()-tick) * (N - myPos) / myPos
if options.verbose: bg.set_message('(%02i:%02i:%02i) processing point %i of %i (grain count %i)...'
%(time_delta//3600,time_delta%3600//60,time_delta%60,myPos,N,nGrains))
myData = table.data[index[myPos]] # read data for current grid point myData = table.data[index[myPos]] # read data for current grid point
myPhase = int(myData[colPhase]) myPhase = int(myData[colPhase])
mySym = options.symmetry[min(myPhase,len(options.symmetry))-1] # take last specified option for all with higher index
if inputtype == 'eulers': o = damask.Rotation(myData[colOri:colOri+4])
o = damask.Orientation(Eulers = myData[colOri:colOri+3]*toRadians,
symmetry = mySym)
elif inputtype == 'matrix':
o = damask.Orientation(matrix = myData[colOri:colOri+9].reshape(3,3),
symmetry = mySym)
elif inputtype == 'frame':
o = damask.Orientation(matrix = np.hstack((myData[colOri[0]:colOri[0]+3],
myData[colOri[1]:colOri[1]+3],
myData[colOri[2]:colOri[2]+3],
)).reshape(3,3),
symmetry = mySym)
elif inputtype == 'quaternion':
o = damask.Orientation(quaternion = myData[colOri:colOri+4],
symmetry = mySym)
cos_disorientations = -np.ones(1,dtype=float) # largest possible disorientation
closest_grain = -1 # invalid neighbor
if options.tolerance > 0.0: # only try to compress orientations if asked to
neighbors = np.array(KDTree.query_ball_point([x,y,z], 3)) # point indices within radius
# filter neighbors: skip myself, anyone further ahead (cannot yet have a grain ID), and other phases
neighbors = neighbors[(neighbors < myPos) & \
(table.data[index[neighbors],colPhase] == myPhase)]
grains = np.unique(grain[neighbors]) # unique grain IDs among valid neighbors
if len(grains) > 0: # check immediate neighborhood first
cos_disorientations = np.array([o.disorientation(orientations[grainID],
SST = False)[0].quaternion.q \
for grainID in grains]) # store disorientation per grainID
closest_grain = np.argmax(cos_disorientations) # grain among grains with closest orientation to myself
match = 'local'
if cos_disorientations[closest_grain] < threshold: # orientation not close enough?
grains = existingGrains[np.atleast_1d( (np.array(phases) == myPhase ) & \
(np.in1d(existingGrains,grains,invert=True)))] # other already identified grains (of my phase)
if len(grains) > 0:
cos_disorientations = np.array([o.disorientation(orientations[grainID],
SST = False)[0].quaternion.q \
for grainID in grains]) # store disorientation per grainID
closest_grain = np.argmax(cos_disorientations) # grain among grains with closest orientation to myself
match = 'global'
if cos_disorientations[closest_grain] >= threshold: # orientation now close enough?
grainID = grains[closest_grain]
grain[myPos] = grainID # assign myself to that grain ...
orientations[grainID] = damask.Orientation.average([orientations[grainID],o],
[multiplicity[grainID],1]) # update average orientation of best matching grain
multiplicity[grainID] += 1
statistics[match] += 1
else:
grain[myPos] = nGrains # assign new grain to me ... grain[myPos] = nGrains # assign new grain to me ...
nGrains += 1 # ... and update counter nGrains += 1 # ... and update counter
orientations.append(o) # store new orientation for future comparison orientations.append(o) # store new orientation for future comparison
@ -291,11 +183,6 @@ for name in filenames:
myPos += 1 myPos += 1
if options.verbose:
bg.stop()
bg.join()
damask.util.croak("{} seconds total.\n{} local and {} global matches.".\
format(time.clock()-tick,statistics['local'],statistics['global']))
grain += 1 # offset from starting index 0 to 1 grain += 1 # offset from starting index 0 to 1