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DAMASK_EICMD
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simplified interface

This commit is contained in:
Martin Diehl 2020-02-21 07:39:53 +01:00
parent 9beca6488c
commit effaef46db
1 changed files with 43 additions and 75 deletions
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118
python/damask/dadf5.py
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@ -459,7 +459,7 @@ class DADF5():
Label of the dataset containing a scalar, vector, or tensor.
"""
def __add_absolute(x):
def _add_absolute(x):
return {
'data': np.abs(x['data']),
@ -471,9 +471,7 @@ class DADF5():
}
}
requested = [{'label':x,'arg':'x'}]
self.__add_generic_pointwise(__add_absolute,requested)
self.__add_generic_pointwise(_add_absolute,{'x':x})
def add_calculation(self,formula,label,unit='n/a',description=None,vectorized=True):
@ -497,7 +495,7 @@ class DADF5():
if vectorized is False:
raise NotImplementedError
def __add_calculation(**kwargs):
def _add_calculation(**kwargs):
formula = kwargs['formula']
for d in re.findall(r'#(.*?)#',formula):
@ -513,10 +511,10 @@ class DADF5():
}
}
requested = [{'label':d,'arg':d} for d in set(re.findall(r'#(.*?)#',formula))] # datasets used in the formula
pass_through = {'formula':formula,'label':label,'unit':unit,'description':description}
dataset_mapping = {d:d for d in set(re.findall(r'#(.*?)#',formula))} # datasets used in the formula
args = {'formula':formula,'label':label,'unit':unit,'description':description}
self.__add_generic_pointwise(__add_calculation,requested,pass_through)
self.__add_generic_pointwise(_add_calculation,dataset_mapping,args)
def add_Cauchy(self,F='F',P='P'):
@ -531,7 +529,7 @@ class DADF5():
Label of the dataset containing the deformation gradient. Default value is ‘F’.
"""
def __add_Cauchy(F,P):
def _add_Cauchy(F,P):
return {
'data': mechanics.Cauchy(F['data'],P['data']),
@ -545,10 +543,7 @@ class DADF5():
}
}
requested = [{'label':F,'arg':'F'},
{'label':P,'arg':'P'} ]
self.__add_generic_pointwise(__add_Cauchy,requested)
self.__add_generic_pointwise(_add_Cauchy,{'F':F,'P':P})
def add_determinant(self,x):
@ -561,7 +556,7 @@ class DADF5():
Label of the dataset containing a tensor.
"""
def __add_determinant(x):
def _add_determinant(x):
return {
'data': np.linalg.det(x['data']),
@ -573,9 +568,7 @@ class DADF5():
}
}
requested = [{'label':x,'arg':'x'}]
self.__add_generic_pointwise(__add_determinant,requested)
self.__add_generic_pointwise(_add_determinant,{'x':x})
def add_deviator(self,x):
@ -588,7 +581,7 @@ class DADF5():
Label of the dataset containing a tensor.
"""
def __add_deviator(x):
def _add_deviator(x):
if not np.all(np.array(x['data'].shape[1:]) == np.array([3,3])):
raise ValueError
@ -603,9 +596,7 @@ class DADF5():
}
}
requested = [{'label':x,'arg':'x'}]
self.__add_generic_pointwise(__add_deviator,requested)
self.__add_generic_pointwise(_add_deviator,{'x':x})
def add_eigenvalues(self,x):
@ -618,7 +609,7 @@ class DADF5():
Label of the dataset containing a symmetric tensor.
"""
def __add_eigenvalue(x):
def _add_eigenvalue(x):
return {
'data': mechanics.eigenvalues(x['data']),
@ -629,9 +620,8 @@ class DADF5():
'Creator': 'dadf5.py:add_eigenvalues v{}'.format(version)
}
}
requested = [{'label':x,'arg':'x'}]
self.__add_generic_pointwise(__add_eigenvalue,requested)
self.__add_generic_pointwise(_add_eigenvalue,{'x':x})
def add_eigenvectors(self,x):
@ -644,7 +634,7 @@ class DADF5():
Label of the dataset containing a symmetric tensor.
"""
def __add_eigenvector(x):
def _add_eigenvector(x):
return {
'data': mechanics.eigenvectors(x['data']),
@ -655,9 +645,8 @@ class DADF5():
'Creator': 'dadf5.py:add_eigenvectors v{}'.format(version)
}
}
requested = [{'label':x,'arg':'x'}]
self.__add_generic_pointwise(__add_eigenvector,requested)
self.__add_generic_pointwise(_add_eigenvector,{'x':x})
def add_IPFcolor(self,q,p):
@ -672,7 +661,7 @@ class DADF5():
Pole direction as Miller indices.
"""
def __add_IPFcolor(q,p):
def _add_IPFcolor(q,p):
pole = np.array(p)
unit_pole = pole/np.linalg.norm(pole)
@ -696,9 +685,7 @@ class DADF5():
}
}
requested = [{'label':q,'arg':'q'}]
self.__add_generic_pointwise(__add_IPFcolor,requested,{'p':p})
self.__add_generic_pointwise(_add_IPFcolor,{'q':q},{'p':p})
def add_maximum_shear(self,x):
@ -711,7 +698,7 @@ class DADF5():
Label of the dataset containing a symmetric tensor.
"""
def __add_maximum_shear(x):
def _add_maximum_shear(x):
return {
'data': mechanics.maximum_shear(x['data']),
@ -723,9 +710,7 @@ class DADF5():
}
}
requested = [{'label':x,'arg':'x'}]
self.__add_generic_pointwise(__add_maximum_shear,requested)
self.__add_generic_pointwise(_add_maximum_shear,{'x':x})
def add_Mises(self,x):
@ -738,7 +723,7 @@ class DADF5():
Label of the dataset containing a symmetric stress or strain tensor.
"""
def __add_Mises(x):
def _add_Mises(x):
t = 'strain' if x['meta']['Unit'] == '1' else \
'stress'
@ -752,9 +737,7 @@ class DADF5():
}
}
requested = [{'label':x,'arg':'x'}]
self.__add_generic_pointwise(__add_Mises,requested)
self.__add_generic_pointwise(_add_Mises,{'x':x})
def add_norm(self,x,ord=None):
@ -769,7 +752,7 @@ class DADF5():
Order of the norm. inf means numpy’s inf object. For details refer to numpy.linalg.norm.
"""
def __add_norm(x,ord):
def _add_norm(x,ord):
o = ord
if len(x['data'].shape) == 2:
@ -793,9 +776,7 @@ class DADF5():
}
}
requested = [{'label':x,'arg':'x'}]
self.__add_generic_pointwise(__add_norm,requested,{'ord':ord})
self.__add_generic_pointwise(_add_norm,{'x':x},{'ord':ord})
def add_PK2(self,F='F',P='P'):
@ -810,7 +791,7 @@ class DADF5():
Label of the dataset containing the deformation gradient. Default value is ‘F’.
"""
def __add_PK2(F,P):
def _add_PK2(F,P):
return {
'data': mechanics.PK2(F['data'],P['data']),
@ -824,10 +805,7 @@ class DADF5():
}
}
requested = [{'label':F,'arg':'F'},
{'label':P,'arg':'P'},]
self.__add_generic_pointwise(__add_PK2,requested)
self.__add_generic_pointwise(_add_PK2,{'F':F,'P':P})
def add_pole(self,q,p,polar=False):
@ -844,7 +822,7 @@ class DADF5():
Give pole in polar coordinates. Default is false.
"""
def __add_pole(q,p,polar):
def _add_pole(q,p,polar):
pole = np.array(p)
unit_pole = pole/np.linalg.norm(pole)
@ -868,12 +846,10 @@ class DADF5():
}
}
requested = [{'label':q,'arg':'q'}]
self.__add_generic_pointwise(__add_pole,requested,{'p':p,'polar':polar})
self.__add_generic_pointwise(_add_pole,{'q':q},{'p':p,'polar':polar})
def add_rotational_part(self,F='F'):
def add_rotational_part(self,F):
"""
Add rotational part of a deformation gradient.
@ -883,7 +859,7 @@ class DADF5():
Label of the dataset containing a deformation gradient. Default value is ‘F’.
"""
def __add_rotational_part(F):
def _add_rotational_part(F):
return {
'data': mechanics.rotational_part(F['data']),
@ -895,9 +871,7 @@ class DADF5():
}
}
requested = [{'label':F,'arg':'F'}]
self.__add_generic_pointwise(__add_rotational_part,requested)
self.__add_generic_pointwise(_add_rotational_part,{'F':F})
def add_spherical(self,x):
@ -910,7 +884,7 @@ class DADF5():
Label of the dataset containing a tensor.
"""
def __add_spherical(x):
def _add_spherical(x):
if not np.all(np.array(x['data'].shape[1:]) == np.array([3,3])):
raise ValueError
@ -925,9 +899,7 @@ class DADF5():
}
}
requested = [{'label':x,'arg':'x'}]
self.__add_generic_pointwise(__add_spherical,requested)
self.__add_generic_pointwise(_add_spherical,{'x':x})
def add_strain_tensor(self,F='F',t='U',m=0):
@ -947,7 +919,7 @@ class DADF5():
Order of the strain calculation. Default value is ‘0.0’.
"""
def __add_strain_tensor(F,t,m):
def _add_strain_tensor(F,t,m):
return {
'data': mechanics.strain_tensor(F['data'],t,m),
@ -959,9 +931,7 @@ class DADF5():
}
}
requested = [{'label':F,'arg':'F'}]
self.__add_generic_pointwise(__add_strain_tensor,requested,{'t':t,'m':m})
self.__add_generic_pointwise(_add_strain_tensor,{'F':F},{'t':t,'m':m})
def add_stretch_tensor(self,F='F',t='U'):
@ -977,7 +947,7 @@ class DADF5():
Default value is ‘U’.
"""
def __add_stretch_tensor(F,t):
def _add_stretch_tensor(F,t):
return {
'data': mechanics.left_stretch(F['data']) if t == 'V' else mechanics.right_stretch(F['data']),
@ -990,12 +960,10 @@ class DADF5():
}
}
requested = [{'label':F,'arg':'F'}]
self.__add_generic_pointwise(__add_stretch_tensor,requested,{'t':t})
self.__add_generic_pointwise(_add_stretch_tensor,{'F':F},{'t':t})
def __add_generic_pointwise(self,func,datasets_requested,extra_args={}):
def __add_generic_pointwise(self,func,dataset_mapping,args={}):
"""
General function to add pointwise data.
@ -1022,16 +990,16 @@ class DADF5():
todo = []
# ToDo: It would be more memory efficient to read only from file when required, i.e. do to it in pool.add_task
for group in self.groups_with_datasets([d['label'] for d in datasets_requested]):
for group in self.groups_with_datasets(dataset_mapping.values()):
with h5py.File(self.fname,'r') as f:
datasets_in = {}
for d in datasets_requested:
loc = f[group+'/'+d['label']]
for arg,label in dataset_mapping.items():
loc = f[group+'/'+label]
data = loc[()]
meta = {k:loc.attrs[k].decode() for k in loc.attrs.keys()}
datasets_in[d['arg']] = {'data': data, 'meta' : meta, 'label' : d['label']}
datasets_in[arg] = {'data': data, 'meta': meta, 'label': label}
todo.append({'in':{**datasets_in,**extra_args},'func':func,'group':group,'results':results})
todo.append({'in':{**datasets_in,**args},'func':func,'group':group,'results':results})
pool.map(job, todo[:N_added]) # initialize