material_config reads and writes files, adds or changes existing parts; still needs some polishing...
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@ -15,6 +15,13 @@ class MATERIAL_CONFIG():
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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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]
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self.data = {\
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'homogenization': {'__order__': []},
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'microstructure': {'__order__': []},
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@ -25,13 +32,7 @@ class MATERIAL_CONFIG():
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def __repr__(self):
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me = []
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for part in [
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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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]:
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for part in self.parts:
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me += ['','#-----------------------------#','<%s>'%part,'#-----------------------------#',]
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for section in self.data[part]['__order__']:
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me += ['','[%s]\t\t#-----------------------'%section,'',]
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@ -79,22 +80,104 @@ class MATERIAL_CONFIG():
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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 add_homogenization(self, name=None, type=None):
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def write(self,file='material.config', overwrite=False):
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if overwrite is False:
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if os.path.exists(file):
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i=1
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while os.path.exists(file+'_%i'%i):i+=1
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file=file+'_%i'%i
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print('Writing material data to file %s'%file)
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f=open(file,'w')
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f.write(str(self))
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f.close()
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def add_homogenization(self, label='', type='', Ngrains=None):
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old_len=len(self.data['homogenization'])
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if type is 'isostrain':
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h={'type':type}
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h['ngrains']=ngrains
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return h
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h={'type':[type]}
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h['Ngrains']=[Ngrains]
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h['__order__']=['type','Ngrains']
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#return h
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self.data['homogenization'][label]=h
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if len(self.data['homogenization'])>old_len: # added new label
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self.data['homogenization']['__order__'].append(label)
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def add_crystallite(self, name=None):
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def add_crystallite(self, label='', output=[]):
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old_len=len(self.data['crystallite'])
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self.data['crystallite'][label]={'(output)':[[o] for o in output],'__order__':'(output)'}
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if len(self.data['crystallite'])>old_len: # added new label
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self.data['crystallite']['__order__'].append(label)
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def add_texture(self, label='',type='', eulers=[], scatter=0., fraction=1.):
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''' Experimental! Needs expansion to multi-component textures...'''
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old_len=len(self.data['texture'])
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if type is '(gauss)':
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gauss={type:[['phi1',eulers[0],'Phi',eulers[1], 'phi2',eulers[2],'scatter',scatter, 'fraction',fraction]],'__order__':label}
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self.data['texture'][label]=gauss
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if len(self.data['texture'])>old_len: # added new label
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self.data['texture']['__order__'].append(label)
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def add_phase(self, file='', label='', phase=None):
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''' USAGE:
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-read phase "label" from file
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OR
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-phase is dict with one key
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'''
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import copy
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print(file,label,phase)
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old_len=len(self.data['phase'])
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if file and label and (phase is None):
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data_so_far = copy.deepcopy(self.data)
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self.__init__()
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self.read(file=file)
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phase={label:self.data['phase'][label]}
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label=None
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self.data=copy.deepcopy(data_so_far)
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print phase
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if len(phase)==1 and label is None:
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print('Adding phase %s'%phase.keys()[0])
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label=phase.keys()[0]
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self.data['phase'][label]=phase[label]
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if len(self.data['phase'])>old_len: # added new label
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self.data['phase']['__order__'].append(label)
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else:
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raise Exception('Wrong arguments')
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def add_microstructure(self, crystallite=None,
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label=None,
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phases=None,
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textures=None,
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fractions=None):
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''' Experimental! Needs expansion to multi-constituent microstructures...'''
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old_len=len(self.data['microstructure'])
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c=self.data['crystallite']['__order__'].index(crystallite)+1
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constituent=phases[:]
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for i in range(len(phases)):
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p=self.data['phase']['__order__'].index(phases[i])+1
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t=self.data['texture']['__order__'].index(textures[i])+1
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f=fractions[i]
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constituent[i]=['phase','%i'%p,'texture','%i'%t,'fraction','%f'%f]
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self.data['microstructure'][label]={'crystallite':['%i'%c],
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'(constituent)':constituent,
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'__order__':['crystallite','(constituent)']}
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if len(self.data['microstructure'])>old_len: # added new label
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self.data['microstructure']['__order__'].append(label)
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class HOMOGENIZATION():
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def __init__(self):
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pass
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def add_texture(self, name=None):
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pass
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def add_phase(self, name=None):
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pass
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def add_microstructure(self, name=None, phases=None, textures=None, fractions=None):
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self.data['microstructure'][name] = {} # kill existing entry (should warn?)
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