Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development
This commit is contained in:
Martin Diehl
commit
be99018ce3
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@ -2,12 +2,12 @@
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import numpy as np
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import sys
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#import sys
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try:
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import h5py
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except (ImportError) as e:
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sys.stderr.write('\nREMARK: h5py module not available \n\n')
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pass # sys.stderr.write('\nREMARK: h5py module not available \n\n')
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class Result():
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"""
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@ -336,16 +336,16 @@ class Test():
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key0 = ('1_' if length[i]>1 else '') + headings0[i]['label']
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key1 = ('1_' if length[i]>1 else '') + headings1[i]['label']
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normKey = ('1_' if normLength[i]>1 else '') + normHeadings[i]['label']
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if key0 not in table0.labels:
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if key0 not in table0.labels(raw = True):
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raise Exception('column {} not found in 1. table...\n'.format(key0))
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elif key1 not in table1.labels:
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elif key1 not in table1.labels(raw = True):
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raise Exception('column {} not found in 2. table...\n'.format(key1))
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elif normKey not in table0.labels:
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elif normKey not in table0.labels(raw = True):
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raise Exception('column {} not found in 1. table...\n'.format(normKey))
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else:
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column[0][i] = table0.labels.index(key0)
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column[1][i] = table1.labels.index(key1)
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normColumn[i] = table0.labels.index(normKey)
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column[0][i] = table0.label_index(key0)
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column[1][i] = table1.label_index(key1)
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normColumn[i] = table0.label_index(normKey)
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line0 = 0
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while table0.data_read(): # read next data line of ASCII table
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@ -421,7 +421,7 @@ class Test():
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columns = columns[:len(files)] # truncate to same length as files
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for i,column in enumerate(columns):
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if column is None: columns[i] = tables[i].labels # if no column is given, read all
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if column is None: columns[i] = tables[i].labels(raw = True) # if no column is given, read all
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logging.info('comparing ASCIItables statistically')
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for i in xrange(len(columns)):
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@ -477,7 +477,7 @@ class Test():
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columns = columns[:len(files)] # truncate to same length as files
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for i,column in enumerate(columns):
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if column is None: columns[i] = tables[i].labels # if no column is given, read all
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if column is None: columns[i] = tables[i].labels(raw = True) # if no column is given, read all
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logging.info('comparing ASCIItables')
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for i in xrange(len(columns)):
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@ -138,7 +138,7 @@ def principalStrs_Der(p, (s1, s2, s3, s4, s5, s6), dim, Karafillis=False):
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return np.array([np.dot(dSdI[:,:,i],dIdc[:,:,i]).T for i in xrange(num)]).T
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def invariant(sigmas):
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I=np.zeros(3)
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I = np.zeros(3)
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s11,s22,s33,s12,s23,s31 = sigmas
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I[0] = s11 + s22 + s33
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I[1] = s11*s22 + s22*s33 + s33*s11 - s12**2 - s23**2 - s31**2
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@ -1271,13 +1271,12 @@ def doSim(thread):
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table = damask.ASCIItable(refFile,readonly=True)
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table.head_read()
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if options.fitting =='equivalentStrain':
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thresholdKey = 'Mises(ln(V))'
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elif options.fitting =='totalshear':
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thresholdKey = 'totalshear'
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thresholdKey = {'equivalentStrain':'Mises(ln(V))',
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'totalshear': 'totalshear',
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}[options.fitting]
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for l in [thresholdKey,'1_Cauchy']:
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if l not in table.labels: damask.util.croak('%s not found'%l)
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if l not in table.labels(raw = True): damask.util.croak('%s not found'%l)
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s.release()
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table.data_readArray(['%i_Cauchy'%(i+1) for i in xrange(9)]+[thresholdKey]+['%i_ln(V)'%(i+1) for i in xrange(9)])
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@ -1380,51 +1379,46 @@ parser.add_option('-e', '--exponent', dest='exponent', type='float',
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parser.add_option('-u', '--uniaxial', dest='eqStress', type='float',
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help='Equivalent stress', metavar='float')
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parser.set_defaults(min = 12)
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parser.set_defaults(max = 30)
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parser.set_defaults(threads = 4)
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parser.set_defaults(yieldValue = (0.002,0.004,2))
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parser.set_defaults(load = (0.010,100,100.0))
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parser.set_defaults(criterion = 'vonmises')
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parser.set_defaults(fitting = 'totalshear')
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parser.set_defaults(geometry = '20grains16x16x16')
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parser.set_defaults(bounds = None)
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parser.set_defaults(dimension = '3')
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parser.set_defaults(exponent = -1.0)
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parser.set_defaults(min = 12,
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max = 30,
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threads = 4,
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yieldValue = (0.002,0.004,2),
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load = (0.010,100,100.0),
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criterion = 'vonmises',
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fitting = 'totalshear',
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geometry = '20grains16x16x16',
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bounds = None,
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dimension = '3',
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exponent = -1.0,
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)
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options = parser.parse_args()[0]
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if not os.path.isfile(options.geometry+'.geom'):
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parser.error('geometry file %s.geom not found'%options.geometry)
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if not os.path.isfile('material.config'):
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parser.error('material.config file not found')
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if options.threads<1:
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parser.error('invalid number of threads %i'%options.threads)
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if options.min<0:
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parser.error('invalid minimum number of simulations %i'%options.min)
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if options.max<options.min:
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if options.threads < 1:
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parser.error('invalid number of threads {}'.format(options.threads))
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if options.min < 0:
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parser.error('invalid minimum number of simulations {}'.format(options.min))
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if options.max < options.min:
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parser.error('invalid maximum number of simulations (below minimum)')
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if options.yieldValue[0]>options.yieldValue[1]:
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if options.yieldValue[0] > options.yieldValue[1]:
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parser.error('invalid yield start (below yield end)')
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if options.yieldValue[2] != int(options.yieldValue[2]):
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parser.error('count must be an integer')
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if not os.path.isfile('numerics.config'):
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damask.util.croak('numerics.config file not found')
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if not os.path.isfile('material.config'):
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damask.util.croak('material.config file not found')
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for check in [options.geometry+'.geom','numerics.config','material.config']:
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if not os.path.isfile(check):
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damask.util.croak('"{}" file not found'.format(check))
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options.dimension = int(options.dimension)
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if options.criterion == 'hill1948': stressUnit = 1.0e9
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else : stressUnit = 1.0e6
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stressUnit = 1.0e9 if options.criterion == 'hill1948' else 1.0e6
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if options.dimension not in fitCriteria[options.criterion]['dimen']:
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parser.error('invalid dimension for selected criterion')
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if options.criterion not in ['vonmises','tresca','drucker','hill1984'] and options.eqStress is None:
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parser.error('please specifie an equivalent stress (e.g. fitting to von Mises)')
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if options.criterion not in ['vonmises','tresca','drucker','hill1948'] and options.eqStress is None:
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parser.error('please specify an equivalent stress (e.g. fitting to von Mises)')
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run = runFit(options.exponent, options.eqStress, options.dimension, options.criterion)
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@ -29,33 +29,30 @@ parser.add_option('-a', '--add','--table',
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if filenames == []: filenames = [None]
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for name in filenames:
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try:
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table = damask.ASCIItable(name = name,
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buffered = False)
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try: table = damask.ASCIItable(name = name,
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buffered = False)
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except: continue
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damask.util.report(scriptName,name)
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tables = []
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for addTable in options.table:
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try:
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tables.append(damask.ASCIItable(name = addTable,
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buffered = False,
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readonly = True)
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)
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try: tables.append(damask.ASCIItable(name = addTable,
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buffered = False,
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readonly = True)
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)
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except: continue
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# ------------------------------------------ read headers ------------------------------------------
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table.head_read()
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for addTable in tables:
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addTable.head_read()
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for addTable in tables: addTable.head_read()
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# ------------------------------------------ assemble header --------------------------------------
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table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
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for addTable in tables:
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table.labels_append(addTable.labels) # extend ASCII header with new labels
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for addTable in tables: table.labels_append(addTable.labels(raw = True)) # extend ASCII header with new labels
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table.head_write()
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@ -37,8 +37,6 @@ if options.label is None:
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if filenames == []: filenames = [None]
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for name in filenames:
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damask.util.croak(name)
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try: table = damask.ASCIItable(name = name,
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outname = os.path.join(
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os.path.split(name)[0],
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@ -91,11 +91,11 @@ for name in filenames:
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if type == '':
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table.data = []
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elif type == '.':
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table.data = [str(former)]
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table.data = [former]
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elif type == 'to':
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table.data = ['{0} to {1}'.format(former-reps+1,former)]
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table.data = [former-reps+1,'to',former]
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elif type == 'of':
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table.data = ['{0} of {1}'.format(reps,former)]
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table.data = [reps,'of',former]
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outputAlive = table.data_write(delimiter = ' ') # output processed line
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@ -106,9 +106,9 @@ for name in filenames:
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former = current
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table.data = {
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'.' : [str(former)],
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'to': ['%i to %i'%(former-reps+1,former)],
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'of': ['%i of %i'%(reps,former)],
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'.' : [former],
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'to': [former-reps+1,'to',former],
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'of': [reps,'of',former],
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}[type]
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outputAlive = table.data_write(delimiter = ' ') # output processed line
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