158 lines
6.3 KiB
Python
Executable File
158 lines
6.3 KiB
Python
Executable File
#!/usr/bin/env python3
|
|
|
|
import os
|
|
import sys
|
|
from optparse import OptionParser
|
|
|
|
import numpy as np
|
|
|
|
import damask
|
|
|
|
|
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
|
scriptID = ' '.join([scriptName,damask.version])
|
|
|
|
|
|
# --------------------------------------------------------------------
|
|
# MAIN
|
|
# --------------------------------------------------------------------
|
|
|
|
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
|
|
Generate geometry description and material configuration from position, phase, and orientation (or microstructure) data.
|
|
|
|
""", version = scriptID)
|
|
|
|
parser.add_option('--coordinates',
|
|
dest = 'pos',
|
|
type = 'string', metavar = 'string',
|
|
help = 'coordinates label (%default)')
|
|
parser.add_option('--phase',
|
|
dest = 'phase',
|
|
type = 'string', metavar = 'string',
|
|
help = 'phase label')
|
|
parser.add_option('--microstructure',
|
|
dest = 'microstructure',
|
|
type = 'string', metavar = 'string',
|
|
help = 'microstructure label')
|
|
parser.add_option('-q', '--quaternion',
|
|
dest = 'quaternion',
|
|
type = 'string', metavar='string',
|
|
help = 'quaternion label')
|
|
parser.add_option('--axes',
|
|
dest = 'axes',
|
|
type = 'string', nargs = 3, metavar = ' '.join(['string']*3),
|
|
help = 'orientation coordinate frame in terms of position coordinate frame [+x +y +z]')
|
|
parser.add_option('--homogenization',
|
|
dest = 'homogenization',
|
|
type = 'int', metavar = 'int',
|
|
help = 'homogenization index to be used [%default]')
|
|
|
|
|
|
parser.set_defaults(homogenization = 1,
|
|
pos = 'pos',
|
|
)
|
|
|
|
(options,filenames) = parser.parse_args()
|
|
|
|
input = [options.quaternion is not None,
|
|
options.microstructure is not None,
|
|
]
|
|
|
|
if np.sum(input) != 1:
|
|
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'])):
|
|
parser.error('invalid axes {} {} {}.'.format(*options.axes))
|
|
|
|
(label,dim,inputtype) = [(options.quaternion,4,'quaternion'),
|
|
(options.microstructure,1,'microstructure'),
|
|
][np.where(input)[0][0]] # select input label that was requested
|
|
|
|
|
|
if filenames == []: filenames = [None]
|
|
|
|
for name in filenames:
|
|
damask.util.report(scriptName,name)
|
|
table = damask.ASCIItable(name = name,readonly=True)
|
|
table.head_read() # read ASCII header info
|
|
|
|
# ------------------------------------------ sanity checks ---------------------------------------
|
|
|
|
coordDim = table.label_dimension(options.pos)
|
|
|
|
errors = []
|
|
if not 3 >= coordDim >= 2:
|
|
errors.append('coordinates "{}" need to have two or three dimensions.'.format(options.pos))
|
|
if not np.all(table.label_dimension(label) == dim):
|
|
errors.append('input "{}" needs to have dimension {}.'.format(label,dim))
|
|
if options.phase and table.label_dimension(options.phase) != 1:
|
|
errors.append('phase column "{}" is not scalar.'.format(options.phase))
|
|
|
|
if errors != []:
|
|
damask.util.croak(errors)
|
|
continue
|
|
|
|
table.data_readArray([options.pos] \
|
|
+ (label if isinstance(label, list) else [label]) \
|
|
+ ([options.phase] if options.phase else []))
|
|
|
|
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
|
|
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
|
|
|
|
grid,size = damask.util.coordGridAndSize(table.data[:,0:3])
|
|
coords = [np.unique(table.data[:,i]) for i in range(3)]
|
|
mincorner = np.array(list(map(min,coords)))
|
|
origin = mincorner - 0.5*size/grid # shift from cell center to corner
|
|
|
|
|
|
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
|
|
i = 0
|
|
|
|
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
|
|
|
|
config_header = []
|
|
|
|
elif inputtype == 'quaternion':
|
|
unique,unique_inverse = np.unique(table.data[:,3:8],return_inverse=True,axis=0)
|
|
|
|
for z in range(grid[2]):
|
|
for y in range(grid[1]):
|
|
for x in range(grid[0]):
|
|
microstructure[x,y,z] = unique_inverse[indices[i]]+1
|
|
i+=1
|
|
|
|
config_header = ['<microstructure>']
|
|
for i,data in enumerate(unique):
|
|
config_header += ['[Grain{}]'.format(i+1),
|
|
'crystallite 1',
|
|
'(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(int(data[4]),i+1),
|
|
]
|
|
|
|
config_header += ['<texture>']
|
|
for i,data in enumerate(unique):
|
|
ori = damask.Rotation(data[0:4])
|
|
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)]
|
|
|
|
header = [scriptID + ' ' + ' '.join(sys.argv[1:])]\
|
|
+ config_header
|
|
geom = damask.Geom(microstructure,size,origin,
|
|
homogenization=options.homogenization,comments=header)
|
|
damask.util.croak(geom)
|
|
|
|
if name is None:
|
|
sys.stdout.write(str(geom.show()))
|
|
else:
|
|
geom.to_file(os.path.splitext(name)[0]+'.geom')
|