diff --git a/processing/post/DADF5_postResults.py b/processing/post/DADF5_postResults.py index 0db018173..a16ef147c 100755 --- a/processing/post/DADF5_postResults.py +++ b/processing/post/DADF5_postResults.py @@ -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) diff --git a/processing/pre/geom_clean.py b/processing/pre/geom_clean.py index aeafe4f09..50f3657b2 100755 --- a/processing/pre/geom_clean.py +++ b/processing/pre/geom_clean.py @@ -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: diff --git a/processing/pre/geom_mirror.py b/processing/pre/geom_mirror.py index 67bd2366f..77ec1f4d7 100755 --- a/processing/pre/geom_mirror.py +++ b/processing/pre/geom_mirror.py @@ -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: diff --git a/python/damask/__init__.py b/python/damask/__init__.py index f876d1417..f432ef056 100644 --- a/python/damask/__init__.py +++ b/python/damask/__init__.py @@ -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' diff --git a/python/damask/asciitable.py b/python/damask/asciitable.py index 59e285d6a..13ca0116b 100644 --- a/python/damask/asciitable.py +++ b/python/damask/asciitable.py @@ -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) diff --git a/python/damask/dadf5.py b/python/damask/dadf5.py index 7390724c8..69b19fefd 100644 --- a/python/damask/dadf5.py +++ b/python/damask/dadf5.py @@ -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'], diff --git a/python/damask/geom.py b/python/damask/geom.py index 176d2bd12..6dfcda013 100644 --- a/python/damask/geom.py +++ b/python/damask/geom.py @@ -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') diff --git a/python/damask/mechanics.py b/python/damask/mechanics.py index 436fbe091..476682380 100644 --- a/python/damask/mechanics.py +++ b/python/damask/mechanics.py @@ -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. diff --git a/python/damask/solver/marc.py b/python/damask/solver/marc.py index 5e728545d..971b2226b 100644 --- a/python/damask/solver/marc.py +++ b/python/damask/solver/marc.py @@ -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]) diff --git a/python/damask/test/test.py b/python/damask/test.py similarity index 97% rename from python/damask/test/test.py rename to python/damask/test.py index e7f2da14a..b1729548d 100644 --- a/python/damask/test/test.py +++ b/python/damask/test.py @@ -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)] diff --git a/python/damask/test/__init__.py b/python/damask/test/__init__.py deleted file mode 100644 index a8d5d5034..000000000 --- a/python/damask/test/__init__.py +++ /dev/null @@ -1,3 +0,0 @@ -"""Test functionality.""" - -from .test import Test # noqa