142 lines
6.0 KiB
Python
142 lines
6.0 KiB
Python
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#!/usr/bin/env python
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import os,re,sys,math,numpy,string,damask
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from optparse import OptionParser, Option
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# -----------------------------
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class extendableOption(Option):
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# -----------------------------
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# used for definition of new option parser action 'extend', which enables to take multiple option arguments
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# taken from online tutorial http://docs.python.org/library/optparse.html
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ACTIONS = Option.ACTIONS + ("extend",)
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STORE_ACTIONS = Option.STORE_ACTIONS + ("extend",)
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TYPED_ACTIONS = Option.TYPED_ACTIONS + ("extend",)
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ALWAYS_TYPED_ACTIONS = Option.ALWAYS_TYPED_ACTIONS + ("extend",)
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def take_action(self, action, dest, opt, value, values, parser):
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if action == "extend":
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lvalue = value.split(",")
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values.ensure_value(dest, []).extend(lvalue)
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else:
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Option.take_action(self, action, dest, opt, value, values, parser)
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def normalize(vec):
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return vec/numpy.sqrt(numpy.inner(vec,vec))
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def E_hkl(stiffness,vec): # stiffness = (c11,c12,c44)
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v = normalize(vec)
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S11 = (stiffness[0]+stiffness[1])/(stiffness[0]*stiffness[0]+stiffness[0]*stiffness[1]-2.0*stiffness[1]*stiffness[1])
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S12 = ( -stiffness[1])/(stiffness[0]*stiffness[0]+stiffness[0]*stiffness[1]-2.0*stiffness[1]*stiffness[1])
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S44 = 1.0/stiffness[2]
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invE = S11-(S11-S12-0.5*S44)* (1.0 - \
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(v[0]**4+v[1]**4+v[2]**4) \
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/#------------------------------------
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numpy.inner(v,v)**2 \
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)
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return 1.0/invE
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# --------------------------------------------------------------------
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# MAIN
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# --------------------------------------------------------------------
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parser = OptionParser(option_class=extendableOption, usage='%prog options [file[s]]', description = """
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Add column(s) containing directional stiffness
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based on given cubic stiffness values C11, C12, and C44 in consecutive columns.
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""" + string.replace('$Id$','\n','\\n')
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)
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parser.add_option('-c','--stiffness', dest='vector', action='extend', type='string', \
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help='heading of column containing C11 (followed by C12, C44) field values', \
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metavar='<label>')
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parser.add_option('-d','--direction', \
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'--hkl', dest='hkl', action='store', type='int', nargs=3, \
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help='direction of elastic modulus %default')
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parser.set_defaults(vector = [])
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parser.set_defaults(hkl = [1,1,1])
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(options,filenames) = parser.parse_args()
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if len(options.vector)== 0:
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parser.error('no data column specified...')
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datainfo = { # list of requested labels per datatype
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'vector': {'len':3,
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'label':[]},
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}
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if options.vector != None: datainfo['vector']['label'] += options.vector
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# ------------------------------------------ setup file handles ---------------------------------------
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files = []
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if filenames == []:
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files.append({'name':'STDIN', 'input':sys.stdin, 'output':sys.stdout, 'croak':sys.stderr})
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else:
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for name in filenames:
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if os.path.exists(name):
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files.append({'name':name, 'input':open(name), 'output':open(name+'_tmp','w'), 'croak':sys.stderr})
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# ------------------------------------------ loop over input files ---------------------------------------
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for file in files:
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if file['name'] != 'STDIN': file['croak'].write(file['name']+'\n')
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table = damask.ASCIItable(file['input'],file['output'],False) # make unbuffered ASCII_table
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table.head_read() # read ASCII header info
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table.info_append(string.replace('$Id$','\n','\\n') + \
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'\t' + ' '.join(sys.argv[1:]))
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# --------------- figure out columns to process
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active = {}
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column = {}
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head = []
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for datatype,info in datainfo.items():
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for label in info['label']:
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foundIt = False
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for key in ['1_'+label,label]:
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if key in table.labels:
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foundIt = True
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if datatype not in active: active[datatype] = []
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if datatype not in column: column[datatype] = {}
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active[datatype].append(label)
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column[datatype][label] = table.labels.index(key) # remember columns of requested data
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table.labels_append('E%i%i%i(%s)'%(options.hkl[0],
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options.hkl[1],
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options.hkl[2],label)) # extend ASCII header with new labels
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if not foundIt:
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file['croak'].write('column %s not found...\n'%label)
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# ------------------------------------------ assemble header ---------------------------------------
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table.head_write()
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# ------------------------------------------ process data ---------------------------------------
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while table.data_read(): # read next data line of ASCII table
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for datatype,labels in active.items(): # loop over vector,tensor
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for label in labels: # loop over all requested stiffnesses
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table.data_append(E_hkl(map(float,table.data[column[datatype][label]:\
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column[datatype][label]+datainfo[datatype]['len']]),options.hkl))
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table.data_write() # output processed line
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# ------------------------------------------ output result ---------------------------------------
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table.output_flush() # just in case of buffered ASCII table
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if file['name'] != 'STDIN':
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file['input'].close() # close input ASCII table
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file['output'].close() # close output ASCII table
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os.rename(file['name']+'_tmp',file['name']) # overwrite old one with tmp new
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