bug fix in addCurl, simplified scripts

This commit is contained in:
Philip Eisenlohr 2018-01-29 14:12:19 -05:00
parent 622d038932
commit b45b43c5ac
2 changed files with 73 additions and 46 deletions

View File

@ -4,12 +4,21 @@
import os,sys,math import os,sys,math
import numpy as np import numpy as np
from optparse import OptionParser from optparse import OptionParser
from collections import defaultdict
import damask import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version]) scriptID = ' '.join([scriptName,damask.version])
def merge_dicts(*dict_args):
"""
Given any number of dicts, shallow copy and merge into a new dict,
precedence goes to key value pairs in latter dicts.
"""
result = {}
for dictionary in dict_args:
result.update(dictionary)
return result
def curlFFT(geomdim,field): def curlFFT(geomdim,field):
shapeFFT = np.array(np.shape(field))[0:3] shapeFFT = np.array(np.shape(field))[0:3]
grid = np.array(np.shape(field)[2::-1]) grid = np.array(np.shape(field)[2::-1])
@ -69,10 +78,22 @@ parser.add_option('-d','--data',
parser.set_defaults(pos = 'pos', parser.set_defaults(pos = 'pos',
) )
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
if options.data is None: parser.error('no data column specified.') if options.data is None: parser.error('no data column specified.')
# --- define possible data types -------------------------------------------------------------------
datatypes = {
3: {'name': 'vector',
'shape': [3],
},
9: {'name': 'tensor',
'shape': [3,3],
},
}
# --- loop over input files ------------------------------------------------------------------------ # --- loop over input files ------------------------------------------------------------------------
if filenames == []: filenames = [None] if filenames == []: filenames = [None]
@ -88,25 +109,21 @@ for name in filenames:
remarks = [] remarks = []
errors = [] errors = []
active = defaultdict(list) active = []
coordDim = table.label_dimension(options.pos) coordDim = table.label_dimension(options.pos)
if coordDim != 3: if coordDim != 3:
errors.append('coordinates "{}" must be three-dimensional.'.format(options.pos)) errors.append('coordinates "{}" must be three-dimensional.'.format(options.pos))
else: coordCol = table.label_index(options.pos) else: coordCol = table.label_index(options.pos)
for i,dim in enumerate(table.label_dimension(options.data)): for me in options.data:
me = options.data[i] dim = table.label_dimension(me)
if dim == -1: if dim in datatypes:
remarks.append('"{}" not found...'.format(me)) active.append(merge_dicts({'label':me},datatypes[dim]))
elif dim == 9: remarks.append('differentiating {} "{}"...'.format(datatypes[dim]['name'],me))
active['tensor'].append(me)
remarks.append('differentiating tensor "{}"...'.format(me))
elif dim == 3:
active['vector'].append(me)
remarks.append('differentiating vector "{}"...'.format(me))
else: else:
remarks.append('skipping "{}" of dimension {}...'.format(me,dim)) remarks.append('skipping "{}" of dimension {}...'.format(me,dim) if dim != -1 else \
'"{}" not found...'.format(me) )
if remarks != []: damask.util.croak(remarks) if remarks != []: damask.util.croak(remarks)
if errors != []: if errors != []:
@ -114,13 +131,11 @@ for name in filenames:
table.close(dismiss = True) table.close(dismiss = True)
continue continue
# ------------------------------------------ assemble header -------------------------------------- # ------------------------------------------ assemble header --------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:])) table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
for type, data in active.iteritems(): for data in active:
for label in data: table.labels_append(['{}_curlFFT({})'.format(i+1,data['label']) for i in range(np.prod(np.array(data['shape'])))]) # extend ASCII header with new labels
table.labels_append(['{}_curlFFT({})'.format(i+1,label) for i in range(table.label_dimension(label))]) # extend ASCII header with new labels
table.head_write() table.head_write()
# --------------- figure out size and grid --------------------------------------------------------- # --------------- figure out size and grid ---------------------------------------------------------
@ -137,12 +152,11 @@ for name in filenames:
# ------------------------------------------ process value field ----------------------------------- # ------------------------------------------ process value field -----------------------------------
stack = [table.data] stack = [table.data]
for type, data in active.iteritems(): for data in active:
for i,label in enumerate(data): # we need to reverse order here, because x is fastest,ie rightmost, but leftmost in our x,y,z notation
# we need to reverse order here, because x is fastest,ie rightmost, but leftmost in our x,y,z notation stack.append(curlFFT(size[::-1],
stack.append(curlFFT(size[::-1], table.data[:,table.label_indexrange(data['label'])].
table.data[:,table.label_indexrange(label)]. reshape(grid[::-1].tolist()+data['shape'])))
reshape(grid[::-1].tolist()+[table.label_dimension(label)])))
# ------------------------------------------ output result ----------------------------------------- # ------------------------------------------ output result -----------------------------------------

View File

@ -4,12 +4,21 @@
import os,sys,math import os,sys,math
import numpy as np import numpy as np
from optparse import OptionParser from optparse import OptionParser
from collections import defaultdict
import damask import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version]) scriptID = ' '.join([scriptName,damask.version])
def merge_dicts(*dict_args):
"""
Given any number of dicts, shallow copy and merge into a new dict,
precedence goes to key value pairs in latter dicts.
"""
result = {}
for dictionary in dict_args:
result.update(dictionary)
return result
def gradFFT(geomdim,field): def gradFFT(geomdim,field):
shapeFFT = np.array(np.shape(field))[0:3] shapeFFT = np.array(np.shape(field))[0:3]
grid = np.array(np.shape(field)[2::-1]) grid = np.array(np.shape(field)[2::-1])
@ -70,6 +79,17 @@ parser.set_defaults(pos = 'pos',
if options.data is None: parser.error('no data column specified.') if options.data is None: parser.error('no data column specified.')
# --- define possible data types -------------------------------------------------------------------
datatypes = {
1: {'name': 'scalar',
'shape': [1],
},
3: {'name': 'vector',
'shape': [3],
},
}
# --- loop over input files ------------------------------------------------------------------------ # --- loop over input files ------------------------------------------------------------------------
if filenames == []: filenames = [None] if filenames == []: filenames = [None]
@ -85,25 +105,21 @@ for name in filenames:
remarks = [] remarks = []
errors = [] errors = []
active = defaultdict(list) active = []
coordDim = table.label_dimension(options.pos) coordDim = table.label_dimension(options.pos)
if coordDim != 3: if coordDim != 3:
errors.append('coordinates "{}" must be three-dimensional.'.format(options.pos)) errors.append('coordinates "{}" must be three-dimensional.'.format(options.pos))
else: coordCol = table.label_index(options.pos) else: coordCol = table.label_index(options.pos)
for i,dim in enumerate(table.label_dimension(options.data)): for me in options.data:
me = options.data[i] dim = table.label_dimension(me)
if dim == -1: if dim in datatypes:
remarks.append('"{}" not found...'.format(me)) active.append(merge_dicts({'label':me},datatypes[dim]))
elif dim == 1: remarks.append('differentiating {} "{}"...'.format(datatypes[dim]['name'],me))
active['scalar'].append(me)
remarks.append('differentiating scalar "{}"...'.format(me))
elif dim == 3:
active['vector'].append(me)
remarks.append('differentiating vector "{}"...'.format(me))
else: else:
remarks.append('skipping "{}" of dimension {}...'.format(me,dim)) remarks.append('skipping "{}" of dimension {}...'.format(me,dim) if dim != -1 else \
'"{}" not found...'.format(me) )
if remarks != []: damask.util.croak(remarks) if remarks != []: damask.util.croak(remarks)
if errors != []: if errors != []:
@ -111,13 +127,11 @@ for name in filenames:
table.close(dismiss = True) table.close(dismiss = True)
continue continue
# ------------------------------------------ assemble header -------------------------------------- # ------------------------------------------ assemble header --------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:])) table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
for type, data in active.iteritems(): for data in active:
for label in data: table.labels_append(['{}_gradFFT({})'.format(i+1,data['label']) for i in range(coordDim*np.prod(np.array(data['shape'])))]) # extend ASCII header with new labels
table.labels_append(['{}_gradFFT({})'.format(i+1,label) for i in range(3*table.label_dimension(label))]) # extend ASCII header with new labels
table.head_write() table.head_write()
# --------------- figure out size and grid --------------------------------------------------------- # --------------- figure out size and grid ---------------------------------------------------------
@ -134,12 +148,11 @@ for name in filenames:
# ------------------------------------------ process value field ----------------------------------- # ------------------------------------------ process value field -----------------------------------
stack = [table.data] stack = [table.data]
for type, data in active.iteritems(): for data in active:
for i,label in enumerate(data): # we need to reverse order here, because x is fastest,ie rightmost, but leftmost in our x,y,z notation
# we need to reverse order here, because x is fastest,ie rightmost, but leftmost in our x,y,z notation stack.append(gradFFT(size[::-1],
stack.append(gradFFT(size[::-1], table.data[:,table.label_indexrange(data['label'])].
table.data[:,table.label_indexrange(label)]. reshape(grid[::-1].tolist()+data['shape'])))
reshape(grid[::-1].tolist()+[table.label_dimension(label)])))
# ------------------------------------------ output result ----------------------------------------- # ------------------------------------------ output result -----------------------------------------