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Merge branch 'PythonImprovements' into no-crystallite

This commit is contained in:
Martin Diehl 2019-11-24 09:13:16 +01:00
parent 50b48b8bf7 6060abb375
commit b937ed594b
11 changed files with 468 additions and 448 deletions
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4
processing/post/DADF5_postResults.py
View File

@ -65,7 +65,7 @@ for filename in options.filenames:
x = results.get_dataset_location(label)
if len(x) == 0:
continue
array = results.read_dataset(x,0)
array = results.read_dataset(x,0,plain=True)
d = int(np.product(np.shape(array)[1:]))
data = np.concatenate((data,np.reshape(array,[np.product(results.grid),d])),1)
@ -80,7 +80,7 @@ for filename in options.filenames:
x = results.get_dataset_location(label)
if len(x) == 0:
continue
array = results.read_dataset(x,0)
array = results.read_dataset(x,0,plain=True)
d = int(np.product(np.shape(array)[1:]))
data = np.concatenate((data,np.reshape(array,[np.product(results.grid),d])),1)

13
processing/pre/geom_clean.py
View File

@ -5,9 +5,6 @@ import sys
from io import StringIO
from optparse import OptionParser
from scipy import ndimage
import numpy as np
import damask
@ -15,11 +12,6 @@ scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
def mostFrequent(arr):
unique, inverse = np.unique(arr, return_inverse=True)
return unique[np.argmax(np.bincount(inverse))]
#--------------------------------------------------------------------------------------------------
# MAIN
#--------------------------------------------------------------------------------------------------
@ -46,9 +38,8 @@ for name in filenames:
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
damask.util.croak(geom.update(ndimage.filters.generic_filter(
geom.microstructure,mostFrequent,
size=(options.stencil,)*3).astype(geom.microstructure.dtype)))
damask.util.croak(geom.clean(options.stencil))
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
if name is None:

22
processing/pre/geom_mirror.py
View File

@ -5,8 +5,6 @@ import sys
from io import StringIO
from optparse import OptionParser
import numpy as np
import damask
@ -38,16 +36,6 @@ parser.set_defaults(reflect = False)
(options, filenames) = parser.parse_args()
if options.directions is None:
parser.error('no direction given.')
if not set(options.directions).issubset(validDirections):
invalidDirections = [str(e) for e in set(options.directions).difference(validDirections)]
parser.error('invalid directions {}. '.format(*invalidDirections))
limits = [None,None] if options.reflect else [-2,0]
if filenames == []: filenames = [None]
for name in filenames:
@ -55,15 +43,7 @@ for name in filenames:
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
microstructure = geom.get_microstructure()
if 'z' in options.directions:
microstructure = np.concatenate([microstructure,microstructure[:,:,limits[0]:limits[1]:-1]],2)
if 'y' in options.directions:
microstructure = np.concatenate([microstructure,microstructure[:,limits[0]:limits[1]:-1,:]],1)
if 'x' in options.directions:
microstructure = np.concatenate([microstructure,microstructure[limits[0]:limits[1]:-1,:,:]],0)
damask.util.croak(geom.update(microstructure,rescale=True))
damask.util.croak(geom.mirror(options.directions,options.reflect))
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
if name is None:

2
python/damask/__init__.py
View File

@ -2,7 +2,7 @@
import os
with open(os.path.join(os.path.dirname(__file__),'VERSION')) as f:
version = f.readline()[1:-1]
version = f.readline()[1:-1]
name = 'damask'

49
python/damask/asciitable.py
View File

@ -2,7 +2,7 @@ import os
import sys
import re
import shlex
from collections import Iterable
from collections.abc import Iterable
import numpy as np
@ -15,7 +15,7 @@ except NameError:
# ------------------------------------------------------------------
class ASCIItable():
"""Read and write to ASCII tables"""
"""Read and write to ASCII tables."""
tmpext = '_tmp' # filename extension for in-place access
@ -27,6 +27,7 @@ class ASCIItable():
labeled = True, # assume table has labels
readonly = False, # no reading from file
):
"""Read and write to ASCII tables."""
self.__IO__ = {'output': [],
'buffered': buffered,
'labeled': labeled, # header contains labels
@ -72,7 +73,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def _removeCRLF(self,
string):
"""Delete any carriage return and line feed from string"""
"""Delete any carriage return and line feed from string."""
try:
return string.replace('\n','').replace('\r','')
except AttributeError:
@ -82,7 +83,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def _quote(self,
what):
"""Quote empty or white space-containing output"""
"""Quote empty or white space-containing output."""
return '{quote}{content}{quote}'.format(
quote = ('"' if str(what)=='' or re.search(r"\s",str(what)) else ''),
content = what)
@ -103,7 +104,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def output_write(self,
what):
"""Aggregate a single row (string) or list of (possibly containing further lists of) rows into output"""
"""Aggregate a single row (string) or list of (possibly containing further lists of) rows into output."""
if isinstance(what, (str, unicode)):
self.__IO__['output'] += [what]
else:
@ -143,7 +144,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def head_read(self):
"""
Get column labels
Get column labels.
by either reading the first row or,
if keyword "head[*]" is present, the last line of the header
@ -154,7 +155,7 @@ class ASCIItable():
pass
firstline = self.__IO__['in'].readline().strip()
m = re.search('(\d+)\s+head', firstline.lower()) # search for "head" keyword
m = re.search(r'(\d+)\s+head', firstline.lower()) # search for "head" keyword
if m: # proper ASCIItable format
@ -194,7 +195,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def head_write(self,
header = True):
"""Write current header information (info + labels)"""
"""Write current header information (info + labels)."""
head = ['{}\theader'.format(len(self.info)+self.__IO__['labeled'])] if header else []
head.append(self.info)
if self.__IO__['labeled']:
@ -205,7 +206,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def head_getGeom(self):
"""Interpret geom header"""
"""Interpret geom header."""
identifiers = {
'grid': ['a','b','c'],
'size': ['x','y','z'],
@ -247,7 +248,7 @@ class ASCIItable():
def labels_append(self,
what,
reset = False):
"""Add item or list to existing set of labels (and switch on labeling)"""
"""Add item or list to existing set of labels (and switch on labeling)."""
if isinstance(what, (str, unicode)):
self.tags += [self._removeCRLF(what)]
else:
@ -261,7 +262,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def labels_clear(self):
"""Delete existing labels and switch to no labeling"""
"""Delete existing labels and switch to no labeling."""
self.tags = []
self.__IO__['labeled'] = False
@ -392,7 +393,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def info_append(self,
what):
"""Add item or list to existing set of infos"""
"""Add item or list to existing set of infos."""
if isinstance(what, (str, unicode)):
self.info += [self._removeCRLF(what)]
else:
@ -403,7 +404,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def info_clear(self):
"""Delete any info block"""
"""Delete any info block."""
self.info = []
# ------------------------------------------------------------------
@ -416,7 +417,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def data_skipLines(self,
count):
"""Wind forward by count number of lines"""
"""Wind forward by count number of lines."""
for i in range(count):
alive = self.data_read()
@ -426,7 +427,7 @@ class ASCIItable():
def data_read(self,
advance = True,
respectLabels = True):
"""Read next line (possibly buffered) and parse it into data array"""
"""Read next line (possibly buffered) and parse it into data array."""
self.line = self.__IO__['readBuffer'].pop(0) if len(self.__IO__['readBuffer']) > 0 \
else self.__IO__['in'].readline().strip() # take buffered content or get next data row from file
@ -446,9 +447,11 @@ class ASCIItable():
# ------------------------------------------------------------------
def data_readArray(self,
labels = []):
"""Read whole data of all (given) labels as numpy array"""
try: self.data_rewind() # try to wind back to start of data
except: pass # assume/hope we are at data start already...
"""Read whole data of all (given) labels as numpy array."""
try:
self.data_rewind() # try to wind back to start of data
except IOError:
pass # assume/hope we are at data start already...
if labels is None or labels == []:
use = None # use all columns (and keep labels intact)
@ -480,7 +483,7 @@ class ASCIItable():
# ------------------------------------------------------------------
def data_write(self,
delimiter = '\t'):
"""Write current data array and report alive output back"""
"""Write current data array and report alive output back."""
if len(self.data) == 0: return True
if isinstance(self.data[0],list):
@ -492,16 +495,16 @@ class ASCIItable():
def data_writeArray(self,
fmt = None,
delimiter = '\t'):
"""Write whole numpy array data"""
"""Write whole numpy array data."""
for row in self.data:
try:
output = [fmt % value for value in row] if fmt else list(map(repr,row))
except:
except Exception:
output = [fmt % row] if fmt else [repr(row)]
try:
self.__IO__['out'].write(delimiter.join(output) + '\n')
except:
except Exception:
pass
# ------------------------------------------------------------------
@ -545,7 +548,7 @@ class ASCIItable():
grid,
type = 'i',
strict = False):
"""Read microstructure data (from .geom format)"""
"""Read microstructure data (from .geom format)."""
def datatype(item):
return int(item) if type.lower() == 'i' else float(item)

6
python/damask/dadf5.py
View File

@ -369,7 +369,7 @@ class DADF5():
return f[self.get_dataset_location('orientation')[0]].attrs['Lattice'].astype('str') # np.bytes_ to string
def read_dataset(self,path,c):
def read_dataset(self,path,c=0,plain=False):
"""
Dataset for all points/cells.
@ -402,7 +402,7 @@ class DADF5():
a=a.reshape([a.shape[0],1])
dataset[p,:] = a[u,:]
return dataset
return dataset if not plain else dataset.view(('float64',len(dataset.dtype.names)))
def cell_coordinates(self):
@ -620,7 +620,7 @@ class DADF5():
raise ValueError
return {
'data': mechanics.deviator(x['data']),
'data': mechanics.deviatoric_part(x['data']),
'label': 's_{}'.format(x['label']),
'meta': {
'Unit': x['meta']['Unit'],

758
python/damask/geom.py
View File

@ -2,6 +2,7 @@ import os
from io import StringIO
import numpy as np
from scipy import ndimage
import vtk
from vtk.util import numpy_support
@ -10,380 +11,429 @@ from . import version
class Geom():
"""Geometry definition for grid solvers."""
"""Geometry definition for grid solvers."""
def __init__(self,microstructure,size,origin=[0.0,0.0,0.0],homogenization=1,comments=[]):
"""
New geometry definition from array of microstructures and size.
def __init__(self,microstructure,size,origin=[0.0,0.0,0.0],homogenization=1,comments=[]):
"""
New geometry definition from array of microstructures and size.
Parameters
----------
microstructure : numpy.ndarray
microstructure array (3D)
size : list or numpy.ndarray
physical size of the microstructure in meter.
origin : list or numpy.ndarray, optional
physical origin of the microstructure in meter.
homogenization : integer, optional
homogenization index.
comments : list of str, optional
comments lines.
Parameters
----------
microstructure : numpy.ndarray
microstructure array (3D)
size : list or numpy.ndarray
physical size of the microstructure in meter.
origin : list or numpy.ndarray, optional
physical origin of the microstructure in meter.
homogenization : integer, optional
homogenization index.
comments : list of str, optional
comments lines.
"""
self.__transforms__ = \
self.set_microstructure(microstructure)
self.set_size(size)
self.set_origin(origin)
self.set_homogenization(homogenization)
self.set_comments(comments)
def __repr__(self):
"""Basic information on geometry definition."""
return util.srepr([
'grid a b c: {}'.format(' x '.join(map(str,self.get_grid ()))),
'size x y z: {}'.format(' x '.join(map(str,self.get_size ()))),
'origin x y z: {}'.format(' '.join(map(str,self.get_origin()))),
'homogenization: {}'.format(self.get_homogenization()),
'# microstructures: {}'.format(len(np.unique(self.microstructure))),
'max microstructure: {}'.format(np.nanmax(self.microstructure)),
])
def update(self,microstructure=None,size=None,origin=None,rescale=False):
"""
Updates microstructure and size.
Parameters
----------
microstructure : numpy.ndarray, optional
microstructure array (3D).
size : list or numpy.ndarray, optional
physical size of the microstructure in meter.
origin : list or numpy.ndarray, optional
physical origin of the microstructure in meter.
rescale : bool, optional
ignore size parameter and rescale according to change of grid points.
"""
grid_old = self.get_grid()
size_old = self.get_size()
origin_old = self.get_origin()
unique_old = len(np.unique(self.microstructure))
max_old = np.nanmax(self.microstructure)
if size is not None and rescale:
raise ValueError('Either set size explicitly or rescale automatically')
self.set_microstructure(microstructure)
self.set_origin(origin)
if size is not None:
self.set_size(size)
elif rescale:
self.set_size(self.get_grid()/grid_old*self.size)
message = ['grid a b c: {}'.format(' x '.join(map(str,grid_old)))]
if np.any(grid_old != self.get_grid()):
message[-1] = util.delete(message[-1])
message.append(util.emph('grid a b c: {}'.format(' x '.join(map(str,self.get_grid())))))
message.append('size x y z: {}'.format(' x '.join(map(str,size_old))))
if np.any(size_old != self.get_size()):
message[-1] = util.delete(message[-1])
message.append(util.emph('size x y z: {}'.format(' x '.join(map(str,self.get_size())))))
message.append('origin x y z: {}'.format(' '.join(map(str,origin_old))))
if np.any(origin_old != self.get_origin()):
message[-1] = util.delete(message[-1])
message.append(util.emph('origin x y z: {}'.format(' '.join(map(str,self.get_origin())))))
message.append('homogenization: {}'.format(self.get_homogenization()))
message.append('# microstructures: {}'.format(unique_old))
if unique_old != len(np.unique(self.microstructure)):
message[-1] = util.delete(message[-1])
message.append(util.emph('# microstructures: {}'.format(len(np.unique(self.microstructure)))))
message.append('max microstructure: {}'.format(max_old))
if max_old != np.nanmax(self.microstructure):
message[-1] = util.delete(message[-1])
message.append(util.emph('max microstructure: {}'.format(np.nanmax(self.microstructure))))
return util.return_message(message)
def set_comments(self,comments):
"""
Replaces all existing comments.
Parameters
----------
comments : list of str
new comments.
"""
self.comments = []
self.add_comments(comments)
def add_comments(self,comments):
"""
Appends comments to existing comments.
Parameters
----------
comments : list of str
new comments.
"""
self.comments += [str(c) for c in comments] if isinstance(comments,list) else [str(comments)]
def set_microstructure(self,microstructure):
"""
Replaces the existing microstructure representation.
Parameters
----------
microstructure : numpy.ndarray
microstructure array (3D).
"""
if microstructure is not None:
if len(microstructure.shape) != 3:
raise ValueError('Invalid microstructure shape {}'.format(*microstructure.shape))
elif microstructure.dtype not in np.sctypes['float'] + np.sctypes['int']:
raise TypeError('Invalid data type {} for microstructure'.format(microstructure.dtype))
else:
self.microstructure = np.copy(microstructure)
def set_size(self,size):
"""
Replaces the existing size information.
Parameters
----------
size : list or numpy.ndarray
physical size of the microstructure in meter.
"""
if size is None:
grid = np.asarray(self.microstructure.shape)
self.size = grid/np.max(grid)
else:
if len(size) != 3 or any(np.array(size)<=0):
raise ValueError('Invalid size {}'.format(*size))
else:
self.size = np.array(size)
def set_origin(self,origin):
"""
Replaces the existing origin information.
Parameters
----------
origin : list or numpy.ndarray
physical origin of the microstructure in meter
"""
if origin is not None:
if len(origin) != 3:
raise ValueError('Invalid origin {}'.format(*origin))
else:
self.origin = np.array(origin)
def set_homogenization(self,homogenization):
"""
Replaces the existing homogenization index.
Parameters
----------
homogenization : integer
homogenization index
"""
if homogenization is not None:
if not isinstance(homogenization,int) or homogenization < 1:
raise TypeError('Invalid homogenization {}'.format(homogenization))
else:
self.homogenization = homogenization
def get_microstructure(self):
"""Return the microstructure representation."""
return np.copy(self.microstructure)
def get_size(self):
"""Return the physical size in meter."""
return np.copy(self.size)
def get_origin(self):
"""Return the origin in meter."""
return np.copy(self.origin)
def get_grid(self):
"""Return the grid discretization."""
return np.array(self.microstructure.shape)
def get_homogenization(self):
"""Return the homogenization index."""
return self.homogenization
def get_comments(self):
"""Return the comments."""
return self.comments[:]
def get_header(self):
"""Return the full header (grid, size, origin, homogenization, comments)."""
header = ['{} header'.format(len(self.comments)+4)] + self.comments
header.append('grid a {} b {} c {}'.format(*self.get_grid()))
header.append('size x {} y {} z {}'.format(*self.get_size()))
header.append('origin x {} y {} z {}'.format(*self.get_origin()))
header.append('homogenization {}'.format(self.get_homogenization()))
return header
"""
self.set_microstructure(microstructure)
self.set_size(size)
self.set_origin(origin)
self.set_homogenization(homogenization)
self.set_comments(comments)
@classmethod
def from_file(cls,fname):
"""
Reads a geom file.
Parameters
----------
fname : str or file handle
geometry file to read.
def __repr__(self):
"""Basic information on geometry definition."""
return util.srepr([
'grid a b c: {}'.format(' x '.join(map(str,self.get_grid ()))),
'size x y z: {}'.format(' x '.join(map(str,self.get_size ()))),
'origin x y z: {}'.format(' '.join(map(str,self.get_origin()))),
'homogenization: {}'.format(self.get_homogenization()),
'# microstructures: {}'.format(len(np.unique(self.microstructure))),
'max microstructure: {}'.format(np.nanmax(self.microstructure)),
])
"""
with (open(fname) if isinstance(fname,str) else fname) as f:
f.seek(0)
header_length,keyword = f.readline().split()[:2]
header_length = int(header_length)
content = f.readlines()
def update(self,microstructure=None,size=None,origin=None,rescale=False):
"""
Updates microstructure and size.
if not keyword.startswith('head') or header_length < 3:
raise TypeError('Header length information missing or invalid')
Parameters
----------
microstructure : numpy.ndarray, optional
microstructure array (3D).
size : list or numpy.ndarray, optional
physical size of the microstructure in meter.
origin : list or numpy.ndarray, optional
physical origin of the microstructure in meter.
rescale : bool, optional
ignore size parameter and rescale according to change of grid points.
comments = []
for i,line in enumerate(content[:header_length]):
items = line.lower().strip().split()
key = items[0] if len(items) > 0 else ''
if key == 'grid':
grid = np.array([ int(dict(zip(items[1::2],items[2::2]))[i]) for i in ['a','b','c']])
elif key == 'size':
size = np.array([float(dict(zip(items[1::2],items[2::2]))[i]) for i in ['x','y','z']])
elif key == 'origin':
origin = np.array([float(dict(zip(items[1::2],items[2::2]))[i]) for i in ['x','y','z']])
elif key == 'homogenization':
homogenization = int(items[1])
else:
comments.append(line.strip())
"""
grid_old = self.get_grid()
size_old = self.get_size()
origin_old = self.get_origin()
unique_old = len(np.unique(self.microstructure))
max_old = np.nanmax(self.microstructure)
if size is not None and rescale:
raise ValueError('Either set size explicitly or rescale automatically')
microstructure = np.empty(grid.prod()) # initialize as flat array
i = 0
for line in content[header_length:]:
items = line.split()
if len(items) == 3:
if items[1].lower() == 'of':
items = np.ones(int(items[0]))*float(items[2])
elif items[1].lower() == 'to':
items = np.linspace(int(items[0]),int(items[2]),
abs(int(items[2])-int(items[0]))+1,dtype=float)
else: items = list(map(float,items))
else: items = list(map(float,items))
self.set_microstructure(microstructure)
self.set_origin(origin)
if size is not None:
self.set_size(size)
elif rescale:
self.set_size(self.get_grid()/grid_old*self.size)
message = ['grid a b c: {}'.format(' x '.join(map(str,grid_old)))]
if np.any(grid_old != self.get_grid()):
message[-1] = util.delete(message[-1])
message.append(util.emph('grid a b c: {}'.format(' x '.join(map(str,self.get_grid())))))
message.append('size x y z: {}'.format(' x '.join(map(str,size_old))))
if np.any(size_old != self.get_size()):
message[-1] = util.delete(message[-1])
message.append(util.emph('size x y z: {}'.format(' x '.join(map(str,self.get_size())))))
message.append('origin x y z: {}'.format(' '.join(map(str,origin_old))))
if np.any(origin_old != self.get_origin()):
message[-1] = util.delete(message[-1])
message.append(util.emph('origin x y z: {}'.format(' '.join(map(str,self.get_origin())))))
message.append('homogenization: {}'.format(self.get_homogenization()))
message.append('# microstructures: {}'.format(unique_old))
if unique_old != len(np.unique(self.microstructure)):
message[-1] = util.delete(message[-1])
message.append(util.emph('# microstructures: {}'.format(len(np.unique(self.microstructure)))))
message.append('max microstructure: {}'.format(max_old))
if max_old != np.nanmax(self.microstructure):
message[-1] = util.delete(message[-1])
message.append(util.emph('max microstructure: {}'.format(np.nanmax(self.microstructure))))
return util.return_message(message)
def set_comments(self,comments):
"""
Replaces all existing comments.
Parameters
----------
comments : list of str
new comments.
"""
self.comments = []
self.add_comments(comments)
microstructure[i:i+len(items)] = items
i += len(items)
def add_comments(self,comments):
"""
Appends comments to existing comments.
Parameters
----------
comments : list of str
new comments.
"""
self.comments += [str(c) for c in comments] if isinstance(comments,list) else [str(comments)]
def set_microstructure(self,microstructure):
"""
Replaces the existing microstructure representation.
Parameters
----------
microstructure : numpy.ndarray
microstructure array (3D).
"""
if microstructure is not None:
if len(microstructure.shape) != 3:
raise ValueError('Invalid microstructure shape {}'.format(*microstructure.shape))
elif microstructure.dtype not in np.sctypes['float'] + np.sctypes['int']:
raise TypeError('Invalid data type {} for microstructure'.format(microstructure.dtype))
else:
self.microstructure = np.copy(microstructure)
def set_size(self,size):
"""
Replaces the existing size information.
Parameters
----------
size : list or numpy.ndarray
physical size of the microstructure in meter.
"""
if size is None:
grid = np.asarray(self.microstructure.shape)
self.size = grid/np.max(grid)
else:
if len(size) != 3 or any(np.array(size)<=0):
raise ValueError('Invalid size {}'.format(*size))
else:
self.size = np.array(size)
def set_origin(self,origin):
"""
Replaces the existing origin information.
Parameters
----------
origin : list or numpy.ndarray
physical origin of the microstructure in meter
"""
if origin is not None:
if len(origin) != 3:
raise ValueError('Invalid origin {}'.format(*origin))
else:
self.origin = np.array(origin)
def set_homogenization(self,homogenization):
"""
Replaces the existing homogenization index.
Parameters
----------
homogenization : integer
homogenization index
"""
if homogenization is not None:
if not isinstance(homogenization,int) or homogenization < 1:
raise TypeError('Invalid homogenization {}'.format(homogenization))
else:
self.homogenization = homogenization
def get_microstructure(self):
"""Return the microstructure representation."""
return np.copy(self.microstructure)
def get_size(self):
"""Return the physical size in meter."""
return np.copy(self.size)
def get_origin(self):
"""Return the origin in meter."""
return np.copy(self.origin)
def get_grid(self):
"""Return the grid discretization."""
return np.array(self.microstructure.shape)
def get_homogenization(self):
"""Return the homogenization index."""
return self.homogenization
def get_comments(self):
"""Return the comments."""
return self.comments[:]
def get_header(self):
"""Return the full header (grid, size, origin, homogenization, comments)."""
header = ['{} header'.format(len(self.comments)+4)] + self.comments
header.append('grid a {} b {} c {}'.format(*self.get_grid()))
header.append('size x {} y {} z {}'.format(*self.get_size()))
header.append('origin x {} y {} z {}'.format(*self.get_origin()))
header.append('homogenization {}'.format(self.get_homogenization()))
return header
@classmethod
def from_file(cls,fname):
"""
Reads a geom file.
Parameters
----------
fname : str or file handle
geometry file to read.
"""
with (open(fname) if isinstance(fname,str) else fname) as f:
f.seek(0)
header_length,keyword = f.readline().split()[:2]
header_length = int(header_length)
content = f.readlines()
if not keyword.startswith('head') or header_length < 3:
raise TypeError('Header length information missing or invalid')
comments = []
for i,line in enumerate(content[:header_length]):
items = line.lower().strip().split()
key = items[0] if len(items) > 0 else ''
if key == 'grid':
grid = np.array([ int(dict(zip(items[1::2],items[2::2]))[i]) for i in ['a','b','c']])
elif key == 'size':
size = np.array([float(dict(zip(items[1::2],items[2::2]))[i]) for i in ['x','y','z']])
elif key == 'origin':
origin = np.array([float(dict(zip(items[1::2],items[2::2]))[i]) for i in ['x','y','z']])
elif key == 'homogenization':
homogenization = int(items[1])
else:
comments.append(line.strip())
microstructure = np.empty(grid.prod()) # initialize as flat array
i = 0
for line in content[header_length:]:
items = line.split()
if len(items) == 3:
if items[1].lower() == 'of':
items = np.ones(int(items[0]))*float(items[2])
elif items[1].lower() == 'to':
items = np.linspace(int(items[0]),int(items[2]),
abs(int(items[2])-int(items[0]))+1,dtype=float)
else: items = list(map(float,items))
else: items = list(map(float,items))
microstructure[i:i+len(items)] = items
i += len(items)
if i != grid.prod():
raise TypeError('Invalid file: expected {} entries,found {}'.format(grid.prod(),i))
microstructure = microstructure.reshape(grid,order='F')
if not np.any(np.mod(microstructure.flatten(),1) != 0.0): # no float present
microstructure = microstructure.astype('int')
return cls(microstructure.reshape(grid),size,origin,homogenization,comments)
def to_file(self,fname):
"""
Writes a geom file.
Parameters
----------
fname : str or file handle
geometry file to write.
"""
header = self.get_header()
grid = self.get_grid()
format_string = '%g' if self.microstructure in np.sctypes['float'] else \
'%{}i'.format(1+int(np.floor(np.log10(np.nanmax(self.microstructure)))))
np.savetxt(fname,
self.microstructure.reshape([grid[0],np.prod(grid[1:])],order='F').T,
header='\n'.join(header), fmt=format_string, comments='')
def to_vtk(self,fname=None):
"""
Generates vtk file.
Parameters
----------
fname : str, optional
vtk file to write. If no file is given, a string is returned.
"""
grid = self.get_grid() + np.ones(3,dtype=int)
size = self.get_size()
origin = self.get_origin()
coords = [
np.linspace(0,size[0],grid[0]) + origin[0],
np.linspace(0,size[1],grid[1]) + origin[1],
np.linspace(0,size[2],grid[2]) + origin[2]
]
rGrid = vtk.vtkRectilinearGrid()
coordArray = [vtk.vtkDoubleArray(),vtk.vtkDoubleArray(),vtk.vtkDoubleArray()]
rGrid.SetDimensions(*grid)
for d,coord in enumerate(coords):
for c in coord:
coordArray[d].InsertNextValue(c)
rGrid.SetXCoordinates(coordArray[0])
rGrid.SetYCoordinates(coordArray[1])
rGrid.SetZCoordinates(coordArray[2])
ms = numpy_support.numpy_to_vtk(num_array=self.microstructure.flatten(order='F'),
array_type=vtk.VTK_INT if self.microstructure.dtype == int else vtk.VTK_FLOAT)
ms.SetName('microstructure')
rGrid.GetCellData().AddArray(ms)
if fname is None:
writer = vtk.vtkDataSetWriter()
writer.SetHeader('damask.Geom '+version)
writer.WriteToOutputStringOn()
else:
writer = vtk.vtkXMLRectilinearGridWriter()
writer.SetCompressorTypeToZLib()
writer.SetDataModeToBinary()
ext = os.path.splitext(fname)[1]
if ext == '':
name = fname + '.' + writer.GetDefaultFileExtension()
elif ext == writer.GetDefaultFileExtension():
name = fname
else:
raise ValueError("unknown extension {}".format(ext))
writer.SetFileName(name)
if i != grid.prod():
raise TypeError('Invalid file: expected {} entries,found {}'.format(grid.prod(),i))
microstructure = microstructure.reshape(grid,order='F')
if not np.any(np.mod(microstructure.flatten(),1) != 0.0): # no float present
microstructure = microstructure.astype('int')
return cls(microstructure.reshape(grid),size,origin,homogenization,comments)
writer.SetInputData(rGrid)
writer.Write()
def to_file(self,fname):
"""
Writes a geom file.
if fname is None: return writer.GetOutputString()
Parameters
----------
fname : str or file handle
geometry file to write.
"""
header = self.get_header()
grid = self.get_grid()
format_string = '%{}i'.format(1+int(np.floor(np.log10(np.nanmax(self.microstructure))))) if self.microstructure.dtype == int \
else '%g'
np.savetxt(fname,
self.microstructure.reshape([grid[0],np.prod(grid[1:])],order='F').T,
header='\n'.join(header), fmt=format_string, comments='')
def show(self):
"""Show raw content (as in file)."""
f=StringIO()
self.to_file(f)
f.seek(0)
return ''.join(f.readlines())
def to_vtk(self,fname=None):
"""
Generates vtk file.
def mirror(self,directions,reflect=False):
"""
Mirror microstructure along given directions.
Parameters
----------
fname : str, optional
vtk file to write. If no file is given, a string is returned.
Parameters
----------
directions : iterable containing str
direction(s) along which the microstructure is mirrored. Valid entries are 'x', 'y', 'z'.
reflect : bool, optional
reflect (include) outermost layers.
"""
grid = self.get_grid() + np.ones(3,dtype=int)
size = self.get_size()
origin = self.get_origin()
"""
valid = {'x','y','z'}
if not all(isinstance(d, str) for d in directions):
raise TypeError('Directions are not of type str.')
elif not set(directions).issubset(valid):
raise ValueError('Invalid direction specified {}'.format(*set(directions).difference(valid)))
coords = [
np.linspace(0,size[0],grid[0]) + origin[0],
np.linspace(0,size[1],grid[1]) + origin[1],
np.linspace(0,size[2],grid[2]) + origin[2]
]
rGrid = vtk.vtkRectilinearGrid()
coordArray = [vtk.vtkDoubleArray(),vtk.vtkDoubleArray(),vtk.vtkDoubleArray()]
limits = [None,None] if reflect else [-2,0]
ms = self.get_microstructure()
rGrid.SetDimensions(*grid)
for d,coord in enumerate(coords):
for c in coord:
coordArray[d].InsertNextValue(c)
rGrid.SetXCoordinates(coordArray[0])
rGrid.SetYCoordinates(coordArray[1])
rGrid.SetZCoordinates(coordArray[2])
ms = numpy_support.numpy_to_vtk(num_array=self.microstructure.flatten(order='F'),
array_type=vtk.VTK_INT if self.microstructure.dtype == int else vtk.VTK_FLOAT)
ms.SetName('microstructure')
rGrid.GetCellData().AddArray(ms)
if 'z' in directions:
ms = np.concatenate([ms,ms[:,:,limits[0]:limits[1]:-1]],2)
if 'y' in directions:
ms = np.concatenate([ms,ms[:,limits[0]:limits[1]:-1,:]],1)
if 'x' in directions:
ms = np.concatenate([ms,ms[limits[0]:limits[1]:-1,:,:]],0)
return self.update(ms,rescale=True)
#self.add_comments('tbd')
if fname is None:
writer = vtk.vtkDataSetWriter()
writer.SetHeader('damask.Geom '+version)
writer.WriteToOutputStringOn()
else:
writer = vtk.vtkXMLRectilinearGridWriter()
writer.SetCompressorTypeToZLib()
writer.SetDataModeToBinary()
ext = os.path.splitext(fname)[1]
if ext == '':
name = fname + '.' + writer.GetDefaultFileExtension()
elif ext == writer.GetDefaultFileExtension():
name = fname
else:
raise ValueError("unknown extension {}".format(ext))
writer.SetFileName(name)
writer.SetInputData(rGrid)
writer.Write()
def clean(self,stencil=3):
"""
Smooth microstructure by selecting most frequent index within given stencil at each location.
if fname is None: return writer.GetOutputString()
Parameters
----------
stencil : int, optional
size of smoothing stencil.
def show(self):
"""Show raw content (as in file)."""
f=StringIO()
self.to_file(f)
f.seek(0)
return ''.join(f.readlines())
"""
def mostFrequent(arr):
unique, inverse = np.unique(arr, return_inverse=True)
return unique[np.argmax(np.bincount(inverse))]
return self.update(ndimage.filters.generic_filter(self.microstructure,
mostFrequent,
size=(stencil,)*3).astype(self.microstructure.dtype))
#self.add_comments('tbd')

12
python/damask/mechanics.py
View File

@ -48,10 +48,10 @@ def strain_tensor(F,t,m):
if m > 0.0:
eps = 1.0/(2.0*abs(m)) * (+ np.matmul(n,np.einsum('ij,ikj->ijk',w**m,n))
- np.broadcast_to(np.ones(3),[F_.shape[0],3]))
- np.broadcast_to(np.eye(3),[F_.shape[0],3,3]))
elif m < 0.0:
eps = 1.0/(2.0*abs(m)) * (- np.matmul(n,np.einsum('ij,ikj->ijk',w**m,n))
+ np.broadcast_to(np.ones(3),[F_.shape[0],3]))
+ np.broadcast_to(np.eye(3),[F_.shape[0],3,3]))
else:
eps = np.matmul(n,np.einsum('ij,ikj->ijk',0.5*np.log(w),n))
@ -190,7 +190,7 @@ def rotational_part(x):
Tensor of which the rotational part is computed.
"""
return __polar_decomposition(x,'R')
return __polar_decomposition(x,'R')[0]
def left_stretch(x):
@ -203,7 +203,7 @@ def left_stretch(x):
Tensor of which the left stretch is computed.
"""
return __polar_decomposition(x,'V')
return __polar_decomposition(x,'V')[0]
def right_stretch(x):
@ -216,7 +216,7 @@ def right_stretch(x):
Tensor of which the right stretch is computed.
"""
return __polar_decomposition(x,'U')
return __polar_decomposition(x,'U')[0]
def __polar_decomposition(x,requested):
@ -227,7 +227,7 @@ def __polar_decomposition(x,requested):
----------
x : numpy.array of shape (:,3,3) or (3,3)
Tensor of which the singular values are computed.
requested : list of str
requested : iterable of str
Requested outputs: ‘R’ for the rotation tensor,
‘V’ for left stretch tensor and ‘U’ for right stretch tensor.

4
python/damask/solver/marc.py
View File

@ -79,9 +79,9 @@ class Marc(Solver):
exitnumber = -1
fid_out = open(outFile,'r')
for line in fid_out:
if (string.find(line,'tress iteration') is not -1):
if (string.find(line,'tress iteration') != -1):
print(line)
elif (string.find(line,'Exit number') is not -1):
elif (string.find(line,'Exit number') != -1):
substr = line[string.find(line,'Exit number'):len(line)]
exitnumber = int(substr[12:16])

43
python/damask/test/test.py → python/damask/test.py
View File

@ -1,10 +1,8 @@
# -*- coding: UTF-8 no BOM -*-
import os,sys,shutil
import logging,logging.config
import damask
import numpy as np
from collections import Iterable
from collections.abc import Iterable
from optparse import OptionParser
class Test():
@ -17,7 +15,7 @@ class Test():
variants = []
def __init__(self, **kwargs):
"""New test."""
defaults = {'description': '',
'keep': False,
'accept': False,
@ -120,22 +118,22 @@ class Test():
"""Delete directory tree containing current results."""
try:
shutil.rmtree(self.dirCurrent())
except:
except FileNotFoundError:
logging.warning('removal of directory "{}" not possible...'.format(self.dirCurrent()))
try:
os.mkdir(self.dirCurrent())
return True
except:
except FileExistsError:
logging.critical('creation of directory "{}" failed.'.format(self.dirCurrent()))
return False
def prepareAll(self):
"""Do all necessary preparations for the whole test"""
"""Do all necessary preparations for the whole test."""
return True
def prepare(self,variant):
"""Do all necessary preparations for the run of each test variant"""
"""Do all necessary preparations for the run of each test variant."""
return True
@ -207,9 +205,9 @@ class Test():
for source,target in zip(list(map(mapA,A)),list(map(mapB,B))):
try:
shutil.copy2(source,target)
except:
except FileNotFoundError:
logging.critical('error copying {} to {}'.format(source,target))
raise
raise FileNotFoundError
def copy_Reference2Current(self,sourcefiles=[],targetfiles=[]):
@ -218,9 +216,9 @@ class Test():
for i,f in enumerate(sourcefiles):
try:
shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i]))
except:
except FileNotFoundError:
logging.critical('Reference2Current: Unable to copy file "{}"'.format(f))
raise
raise FileNotFoundError
def copy_Base2Current(self,sourceDir,sourcefiles=[],targetfiles=[]):
@ -230,10 +228,10 @@ class Test():
for i,f in enumerate(sourcefiles):
try:
shutil.copy2(os.path.join(source,f),self.fileInCurrent(targetfiles[i]))
except:
except FileNotFoundError:
logging.error(os.path.join(source,f))
logging.critical('Base2Current: Unable to copy file "{}"'.format(f))
raise
raise FileNotFoundError
def copy_Current2Reference(self,sourcefiles=[],targetfiles=[]):
@ -242,9 +240,9 @@ class Test():
for i,f in enumerate(sourcefiles):
try:
shutil.copy2(self.fileInCurrent(f),self.fileInReference(targetfiles[i]))
except:
except FileNotFoundError:
logging.critical('Current2Reference: Unable to copy file "{}"'.format(f))
raise
raise FileNotFoundError
def copy_Proof2Current(self,sourcefiles=[],targetfiles=[]):
@ -253,9 +251,9 @@ class Test():
for i,f in enumerate(sourcefiles):
try:
shutil.copy2(self.fileInProof(f),self.fileInCurrent(targetfiles[i]))
except:
except FileNotFoundError:
logging.critical('Proof2Current: Unable to copy file "{}"'.format(f))
raise
raise FileNotFoundError
def copy_Current2Current(self,sourcefiles=[],targetfiles=[]):
@ -263,9 +261,10 @@ class Test():
for i,f in enumerate(sourcefiles):
try:
shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i]))
except:
except FileNotFoundError:
logging.critical('Current2Current: Unable to copy file "{}"'.format(f))
raise
raise FileNotFoundError
def execute_inCurrentDir(self,cmd,streamIn=None,env=None):
@ -439,7 +438,7 @@ class Test():
stdTol = 1.0e-6,
preFilter = 1.0e-9):
"""
Calculate statistics of tables
Calculate statistics of tables.
threshold can be used to ignore small values (a negative number disables this feature)
"""
@ -492,7 +491,7 @@ class Test():
rtol = 1e-5,
atol = 1e-8,
debug = False):
"""Compare multiple tables with np.allclose"""
"""Compare multiple tables with np.allclose."""
if not (isinstance(files, Iterable) and not isinstance(files, str)): # check whether list of files is requested
files = [str(files)]

3
python/damask/test/__init__.py
View File

@ -1,3 +0,0 @@
"""Test functionality."""
from .test import Test # noqa