removed old file, added possibility to normalise euler angels to standard range, added svn properties
This commit is contained in:
Martin Diehl
parent
35863e0229
commit
f9348398ce
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@ -1,275 +0,0 @@
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# -*- coding: UTF-8 no BOM -*-
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# $Id$
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import re
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class Material():
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'''
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Reads, manipulates and writes material.config files
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See end of file for example of usage
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'''
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__slots__ = ['data']
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def __init__(self):
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self.parts = [
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'homogenization',
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'microstructure',
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'crystallite',
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'phase',
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'texture',
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] # ordered (!) list of parts
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self.data = {\
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'homogenization': {'__order__': []},
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'microstructure': {'__order__': []},
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'crystallite': {'__order__': []},
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'phase': {'__order__': []},
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'texture': {'__order__': []},
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}
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def __repr__(self):
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me = []
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for part in self.parts:
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print('doing',part)
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me += ['','#-----------------------------#','<%s>'%part,'#-----------------------------#',]
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for section in self.data[part]['__order__']:
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section_number=self.data[part]['__order__'].index(section)
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if section_number>0 and section_number<len(self.data[part]['__order__']):
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pass#me+=['\n##-----------------------------------------------------------------##\n']
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me += ['','[%s__No_%i] %s'%(section,section_number+1,'-'*max(0,21-len(section))),'',]
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for key in self.data[part][section]['__order__']:
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if key.startswith('(') and key.endswith(')'): # multiple (key)
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me += ['%s\t%s'%(key,' '.join(values)) for values in self.data[part][section][key]]
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else: # plain key
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me += ['%s\t%s'%(key,' '.join(map(str,self.data[part][section][key])))]
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return '\n'.join(me)
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def parse_data(self, part=None, sections=[], content=None):
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re_part = re.compile(r'^<(.+)>$') # pattern for part
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re_sec = re.compile(r'^\[(.+)\]$') # pattern for section
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name_section = ''
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idx_section = 0
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active = False
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for line in content:
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line = line.split('#')[0].strip() # kill comments and extra whitespace
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line = line.split('#')[0].strip() # kill comments and extra whitespace
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if line: # content survives...
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match_part = re_part.match(line)
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if match_part: # found <part> separator
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active = (match_part.group(1) == part) # only active in <part>
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continue
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if active:
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match_sec = re_sec.match(line)
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if match_sec: # found [section]
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name_section = match_sec.group(1) # remember name ...
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if '__order__' not in self.data[part]: self.data[part]['__order__'] = []
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self.data[part]['__order__'].append(name_section) # ... and position
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self.data[part][name_section] = {'__order__':[]}
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continue
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if sections == [] or name_section in sections: # respect subset
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items = line.split()
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if items[0] not in self.data[part][name_section]: # first encounter of key?
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self.data[part][name_section][items[0]] = [] # create item
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self.data[part][name_section]['__order__'].append(items[0])
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if items[0].startswith('(') and items[0].endswith(')'): # multiple "(key)"
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self.data[part][name_section][items[0]].append(items[1:])
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else: # plain key
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self.data[part][name_section][items[0]] = items[1:]
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def read(self,file=None):
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f=open(file,'r')
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c=f.readlines()
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f.close()
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for p in self.parts:
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self.parse_data(part=p, content=c)
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def write(self,file='material.config', overwrite=False):
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import os
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i = 0
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saveFile = file
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while not overwrite and os.path.exists(saveFile):
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i += 1
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saveFile = file+'_%i'%i
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print('Writing material data to file %s'%saveFile)
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f=open(saveFile,'w')
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f.write(str(self)+'\n') #newline at end
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f.close()
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return saveFile
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def add_section(self, part=None, section=None, object=None, merge = False):
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'''adding/updating'''
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if part not in self.parts: raise Exception('invalid part %s'%part)
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if type(object) is dict: data = object
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else: data = object.data()
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if section not in self.data[part]: self.data[part]['__order__'] += [section]
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if section in self.data[part] and merge:
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for existing in self.data[part][section]['__order__']: # replace existing
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if existing in data['__order__']:
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if existing.startswith('(') and existing.endswith(')'): # multiple (key)
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self.data[part][section][existing] += data[existing] # add new multiple entries to existing ones
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else: # regular key
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self.data[part][section][existing] = data[existing] # plain replice
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for new in data['__order__']: # merge new content
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if new not in self.data[part][section]['__order__']:
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self.data[part][section][new] = data[new]
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self.data[part][section]['__order__'] += [new]
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else:
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self.data[part][section] = data
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class Section():
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def __init__(self,data = {'__order__':[]},part = ''):
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classes = {
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'homogenization':Homogenization,
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'microstructure':Microstructure,
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'crystallite':Crystallite,
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'phase':Phase,
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'texture':Texture,
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}
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self.parameters = {}
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for key in data:
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if type(data[key]) is not list:
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self.parameters[key] = [data[key]]
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else:
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self.parameters[key] = data[key]
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if '__order__' not in self.parameters:
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self.parameters['__order__'] = self.parameters.keys()
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if part.lower() in classes:
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self.__class__ = classes[part.lower()]
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self.__init__(data)
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def add_multiKey(self,key,data):
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multiKey = '(%s)'%key
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if multiKey not in self.parameters: self.parameters[multiKey] = []
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if multiKey not in self.parameters['__order__']: self.parameters['__order__'] += [multiKey]
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if type(data) == list: self.parameters[multiKey] += [[item] for item in data]
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else: self.parameters[multiKey] += [[data]]
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def add_key(self,key,data):
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if type(data) == list: self.parameters[key] = [item for item in data]
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else: self.parameters[key] = [data]
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if key not in self.parameters['__order__']: self.parameters['__order__'] += [key]
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def data(self):
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return self.parameters
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class Homogenization(Section):
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def __init__(self,data = {'__order__':[]}):
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Section.__init__(self,data)
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class Crystallite(Section):
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def __init__(self,data = {'__order__':[]}):
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Section.__init__(self,data)
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class Phase(Section):
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def __init__(self,data = {'__order__':[]}):
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Section.__init__(self,data)
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class Microstructure(Section):
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def __init__(self,data = {'__order__':[]}):
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Section.__init__(self,data)
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def add_constituent(self, data,): # dict of phase,texture, and fraction
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theData = ''
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for property in ['phase','texture','fraction']:
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if property not in data.keys(): # suboptimal!!
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print('Croak!')
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else:
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theData += '%s %s\t'%(property,data[property])
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self.add_multiKey('constituent',theData)
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class Texture(Section):
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def __init__(self,data = {'__order__':[]}):
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Section.__init__(self,data)
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def add_component(self,theType,properties):
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if 'scatter' not in map(str.lower,properties.keys()):
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scatter = 0.0
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else: scatter = properties['scatter']
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if 'fraction' not in map(str.lower,properties.keys()):
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fraction = 1.0
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else: fraction = properties['fraction']
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multiKey = theType.lower()
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if multiKey == 'gauss':
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self.add_multiKey(multiKey,'phi1 %g\tPhi %g\tphi2 %g\tscatter %g\tfraction %g'%(
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properties['eulers'][0],
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properties['eulers'][1],
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properties['eulers'][2],
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scatter,
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fraction,
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)
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)
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if multiKey == 'fiber':
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self.add_multiKey(multiKey,'alpha1 %g\talpha2 %g\tbeta1 %g\tbeta2 %g\tscatter %g\tfraction %g'%(
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properties['eulers'][0],
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properties['eulers'][1],
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properties['eulers'][2],
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properties['eulers'][3],
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scatter,
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fraction,
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)
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)
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def example_1(write_file=False):
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'''Useage example of the material.config writer'''
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mat=Material()
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#--- CRYSTALLITE
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c=Crystallite()
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c.add_multiKey('output',['texture','orientation','grainorientation','f','p'])
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mat.add_section('crystallite','essential_output',c)
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#--- HOMOGENIZATION
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h=Homogenization()
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h.add_key('type','isostrain')
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h.add_key('Ngrains',1)
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mat.add_section('homogenization','homog1',h)
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#--- MICROSTRUCTURE
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m=Microstructure()
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m.add_key('crystallite','1')
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m.add_constituent({'phase':1,'texture':2,'fraction':1})
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mat.add_section('microstructure','mustruct1',m)
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#--- TEXTURE
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t1=Texture()
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t1.add_component('gauss',{'eulers':[1,2,3],'fraction':0.5})
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t1.add_component('gauss',{'eulers':[1,2,3],'scatter':2,'fraction':0.5})
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mat.add_section('texture','tex_1',t1)
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t2=Texture()
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t2.add_component('gauss',{'eulers':[45,0,0]})
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mat.add_section('texture','tex_2',t2)
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#t3=Texture() # ToDo: fibre texture
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#t3.add_component('fibre',{'eulers':[45,0,0]})
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#mat.add_section('texture','tex_3',t3)
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#---PHASE
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p=Phase({'constitution':'lump'})
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p.add_key('elasticity','hooke')
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p.add_key('plasticity','phenopowerlaw')
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p.add_key('c11','162.4e9')
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p.add_key('c12',92.4e9)
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p.add_key('Nslip',[12,0,0,0])
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p.add_key('interaction_slipslip',[1]*27)
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mat.add_section('phase','phase_label',p)
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print(mat)
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mat.write(file='material.config_example_1')
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mat.write(file='material.config_example_1',overwrite=True)
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return mat
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@ -317,7 +317,7 @@ class Quaternion:
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else:
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return np.array([float('inf')]*3)
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def asEulers(self,type='bunge',degrees=False):
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def asEulers(self,type='bunge',degrees=False,standardRange=False):
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'''
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conversion taken from:
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Melcher, A.; Unser, A.; Reichhardt, M.; Nestler, B.; Pötschke, M.; Selzer, M.
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@ -351,13 +351,12 @@ class Quaternion:
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y = (self.z * self.x - self.y * self.w)/2./chi
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angles[2] = math.atan2(y,x)
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# if angles[0] < 0.0:
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# angles[0] += 2*math.pi
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# if angles[1] < 0.0:
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# angles[1] += math.pi
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# angles[2] *= -1
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# if angles[2] < 0.0:
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# angles[2] += 2*math.pi
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if standardRange:
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angles[0] %= 2*math.pi
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if angles[1] < 0.0:
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angles[1] += math.pi
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angles[2] *= -1.0
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angles[2] %= 2*math.pi
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return np.degrees(angles) if degrees else angles
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@ -562,30 +561,30 @@ class Symmetry:
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'''
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if self.lattice == 'cubic':
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symQuats = [
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[ 1.0,0.0,0.0,0.0 ],
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[ 0.0,1.0,0.0,0.0 ],
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[ 0.0,0.0,1.0,0.0 ],
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[ 0.0,0.0,0.0,1.0 ],
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[ 0.0, 0.0, 0.5*math.sqrt(2), 0.5*math.sqrt(2) ],
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[ 0.0, 0.0, 0.5*math.sqrt(2),-0.5*math.sqrt(2) ],
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[ 0.0, 0.5*math.sqrt(2), 0.0, 0.5*math.sqrt(2) ],
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[ 0.0, 0.5*math.sqrt(2), 0.0,-0.5*math.sqrt(2) ],
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[ 0.0, 0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0 ],
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[ 0.0,-0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0 ],
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[ 0.5, 0.5, 0.5, 0.5 ],
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[-0.5, 0.5, 0.5, 0.5 ],
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[-0.5, 0.5, 0.5,-0.5 ],
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[-0.5, 0.5,-0.5, 0.5 ],
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[-0.5,-0.5, 0.5, 0.5 ],
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[-0.5,-0.5, 0.5,-0.5 ],
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[-0.5,-0.5,-0.5, 0.5 ],
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[-0.5, 0.5,-0.5,-0.5 ],
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[-0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
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[ 0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
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[-0.5*math.sqrt(2), 0.0, 0.5*math.sqrt(2), 0.0 ],
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[-0.5*math.sqrt(2), 0.0,-0.5*math.sqrt(2), 0.0 ],
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[-0.5*math.sqrt(2), 0.5*math.sqrt(2), 0.0, 0.0 ],
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[-0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0, 0.0 ],
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[ 1.0, 0.0, 0.0, 0.0 ],
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[ 0.0, 1.0, 0.0, 0.0 ],
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[ 0.0, 0.0, 1.0, 0.0 ],
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[ 0.0, 0.0, 0.0, 1.0 ],
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[ 0.0, 0.0, 0.5*math.sqrt(2), 0.5*math.sqrt(2) ],
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[ 0.0, 0.0, 0.5*math.sqrt(2),-0.5*math.sqrt(2) ],
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[ 0.0, 0.5*math.sqrt(2), 0.0, 0.5*math.sqrt(2) ],
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[ 0.0, 0.5*math.sqrt(2), 0.0, -0.5*math.sqrt(2) ],
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[ 0.0, 0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0 ],
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[ 0.0, -0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0 ],
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[ 0.5, 0.5, 0.5, 0.5 ],
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[-0.5, 0.5, 0.5, 0.5 ],
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[-0.5, 0.5, 0.5, -0.5 ],
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[-0.5, 0.5, -0.5, 0.5 ],
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[-0.5, -0.5, 0.5, 0.5 ],
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[-0.5, -0.5, 0.5, -0.5 ],
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[-0.5, -0.5, -0.5, 0.5 ],
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[-0.5, 0.5, -0.5, -0.5 ],
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[-0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
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[ 0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
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[-0.5*math.sqrt(2), 0.0, 0.5*math.sqrt(2), 0.0 ],
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[-0.5*math.sqrt(2), 0.0, -0.5*math.sqrt(2), 0.0 ],
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[-0.5*math.sqrt(2), 0.5*math.sqrt(2), 0.0, 0.0 ],
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[-0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0, 0.0 ],
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]
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elif self.lattice == 'hexagonal':
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symQuats = [
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@ -786,13 +785,13 @@ class Orientation:
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return 'Symmetry: %s\n' % (self.symmetry) + \
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'Quaternion: %s\n' % (self.quaternion) + \
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'Matrix:\n%s\n' % ( '\n'.join(['\t'.join(map(str,self.asMatrix()[i,:])) for i in range(3)]) ) + \
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'Bunge Eulers / deg: %s' % ('\t'.join(map(lambda x:str(np.degrees(x)),self.asEulers('bunge'))) )
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'Bunge Eulers / deg: %s' % ('\t'.join(map(str,self.asEulers('bunge',degrees=True))) )
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def asQuaternion(self):
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return self.quaternion.asList()
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quaternion = property(asQuaternion)
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def asEulers(self,type='bunge'):
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def asEulers(self,type='bunge',degrees=False,standardRange=False):
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return self.quaternion.asEulers(type)
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eulers = property(asEulers)
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@ -1148,4 +1147,4 @@ class Orientation:
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rot=np.dot(otherMatrix.T,myMatrix)
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return Orientation(matrix=np.dot(rot,self.asMatrix())) # no symmetry information ??
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return Orientation(matrix=np.dot(rot,self.asMatrix())) # no symmetry information ??
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