DAMASK_EICMD/lib/damask/config/material.py

186 lines
7.7 KiB
Python

class Material():
'''
Reads, manipulates and writes material.config files
'''
__slots__ = ['data']
def __init__(self):
self.parts = [
'homogenization',
'microstructure',
'crystallite',
'phase',
'texture',
] # ordered (!) list of parts
self.data = {\
'homogenization': {'__order__': []},
'microstructure': {'__order__': []},
'crystallite': {'__order__': []},
'phase': {'__order__': []},
'texture': {'__order__': []},
}
def __repr__(self):
me = []
for part in self.parts:
print 'doing',part
me += ['','#-----------------------------#','<%s>'%part,'#-----------------------------#',]
for section in self.data[part]['__order__']:
me += ['','[%s] %s'%(section,'-'*max(0,27-len(section))),'',]
for key in self.data[part][section]['__order__']:
if key.startswith('(') and key.endswith(')'): # multiple (key)
me += ['%s\t%s'%(key,' '.join(values)) for values in self.data[part][section][key]]
else: # plain key
me += ['%s\t%s'%(key,' '.join(map(str,self.data[part][section][key])))]
return '\n'.join(me)
def parse_data(self, part=None, sections=[], content=None):
re_part = re.compile(r'^<(.+)>$') # pattern for part
re_sec = re.compile(r'^\[(.+)\]$') # pattern for section
name_section = ''
idx_section = 0
active = False
for line in content:
line = line.split('#')[0].strip() # kill comments and extra whitespace
if line: # content survives...
match_part = re_part.match(line)
if match_part: # found <part> separator
active = (match_part.group(1) == part) # only active in <part>
continue
if active:
match_sec = re_sec.match(line)
if match_sec: # found [section]
name_section = match_sec.group(1) # remember name ...
if '__order__' not in self.data[part]: self.data[part]['__order__'] = []
self.data[part]['__order__'].append(name_section) # ... and position
self.data[part][name_section] = {'__order__':[]}
continue
if sections == [] or name_section in sections: # respect subset
items = line.split()
if items[0] not in self.data[part][name_section]: # first encounter of key?
self.data[part][name_section][items[0]] = [] # create item
self.data[part][name_section]['__order__'].append(items[0])
if items[0].startswith('(') and items[0].endswith(')'): # multiple "(key)"
self.data[part][name_section][items[0]].append(items[1:])
else: # plain key
self.data[part][name_section][items[0]] = items[1:]
def read(self,file=None):
f=open(file,'r')
c=f.readlines()
f.close()
for p in self.parts:
self.parse_data(part=p, content=c)
def write(self,file='material.config', overwrite=False):
if overwrite is False:
if os.path.exists(file):
i=1
while os.path.exists(file+'_%i'%i):i+=1
file+='_%i'%i
print('Writing material data to file %s'%file)
f=open(file,'w')
f.write(str(self))
f.close()
return file
def add_data(self, part=None, section=None, data={}):
'''Generic data adding/updating'''
if part not in self.parts: raise Exception('invalid part %s'%part)
if section not in self.data[part]: self.data[part]['__order__'] += [section]
self.data[part][section] = data
def add_homogenization(self, label='', type='', Ngrains=None):
if type.lower() == 'isostrain':
self.add_data(part='homogenization',
section=label,
data={'type':[type],
'Ngrains':[Ngrains],
'__order__':['type','Ngrains']
}
)
elif type.lower() == 'rgc':
raise Exception('Please implement me')
def add_crystallite(self, label='', output=[]):
self.add_data(part='crystallite',
section=label,
data={'(output)':[[o] for o in output],
'__order__':'(output)'})
def add_texture(self, label='',type='', eulers=[], scatter=0., fraction=1.):
''' Experimental! Needs expansion to multi-component textures...'''
if type == '(gauss)':
texture={type:[['phi1','%f'%float(eulers[0]),'Phi','%f'%float(eulers[1]), 'phi2','%f'%float(eulers[2]),'scatter','%f'%float(scatter), 'fraction','%f'%fraction]],'__order__':label}
#self.data['texture'][label]=texture
#if len(self.data['texture'])>old_len: # added new label
# self.data['texture']['__order__'].append(label)
else:
raise Exception('Please implement me.')
self.add_data(part='texture',section=label, data=texture)
def add_phase(self, file='', label='', newlabel=None, phase=None):
''' USAGE:
- read phase "label" from file
OR
- phase is dict with one key
'''
if file and label and (phase is None):
other=MATERIAL_CONFIG()
other.read(file=file)
phase={label:other.data['phase'][label]}
label=None
print phase
if len(phase)==1 and label is None:
if newlabel:
label=newlabel
else:
label=phase.keys()[0]
print('Adding phase %s'%label)
self.add_data(part='phase', section=label, data=phase)
else:
raise Exception('Wrong arguments')
def add_microstructure(self, label=None,
crystallite=None, # label
phases=None, # list of labels
textures=None, # list of labels
fractions=None): # list of floats
''' Experimental! Needs expansion to multi-constituent microstructures...'''
c=self.data['crystallite']['__order__'].index(crystallite)+1
constituent=phases[:]
if fractions is None:
fractions=[1./len(phases)]*len(phases)
for i in range(len(phases)):
p=self.data['phase']['__order__'].index(phases[i])+1
t=self.data['texture']['__order__'].index(textures[i])+1
f=fractions[i]
constituent[i]=['phase','%i'%p,'texture','%i'%t,'fraction','%f'%f]
data={'crystallite':['%i'%c],
'(constituent)':constituent,
'__order__':['crystallite','(constituent)']}
self.add_data(part='microstructure',section=label,data=data)
def change_value(self, part=None,
section=None,
key=None,
value=None):
if type(value) is not type([]):
if type(value) is not type('s'):
value = '%s'%value
value = [value]
newlen = len(value)
oldval = self.data[part][section][key]
oldlen = len(oldval)
print('changing %s:%s:%s:%s'%(part,section,key,oldval))
self.data[part][section][key] = value
print('new: %s'%self.data[part][section][key])
if newlen is not oldlen:
print('Length of value was changed from %i to %i!'%(oldlen,newlen))