Merge branch 'material_add' into 'development'
configMaterial functionality See merge request damask/DAMASK!651
This commit is contained in:
Martin Diehl
commit
815d825fac
|
|
@ -1,6 +1,6 @@
|
|||
import numpy as np
|
||||
import h5py
|
||||
from typing import Sequence, Dict, Any, Collection
|
||||
from typing import Union, Sequence, Dict, Any, Collection
|
||||
|
||||
from ._typehints import FileHandle
|
||||
from . import Config
|
||||
|
|
@ -160,7 +160,7 @@ class ConfigMaterial(Config):
|
|||
pass
|
||||
|
||||
|
||||
base_config = ConfigMaterial({'phase':{k if isinstance(k,int) else str(k):'t.b.d.' for k in np.unique(phase)},
|
||||
base_config = ConfigMaterial({'phase':{k if isinstance(k,int) else str(k): None for k in np.unique(phase)},
|
||||
'homogenization':{'direct':{'N_constituents':1}}})
|
||||
constituent = {k:np.atleast_1d(v[idx].squeeze()) for k,v in zip(['O','phase'],[O,phase])}
|
||||
|
||||
|
|
@ -193,10 +193,10 @@ class ConfigMaterial(Config):
|
|||
>>> import damask.ConfigMaterial as cm
|
||||
>>> t = damask.Table.load('small.txt')
|
||||
>>> t
|
||||
pos pos pos qu qu qu qu phase homog
|
||||
0 0 0 0 0.19 0.8 0.24 -0.51 Aluminum SX
|
||||
1 1 0 0 0.8 0.19 0.24 -0.51 Steel SX
|
||||
1 1 1 0 0.8 0.19 0.24 -0.51 Steel SX
|
||||
3:pos pos pos 4:qu qu qu qu phase homog
|
||||
0 0 0 0 0.19 0.8 0.24 -0.51 Aluminum SX
|
||||
1 1 0 0 0.8 0.19 0.24 -0.51 Steel SX
|
||||
2 1 1 0 0.8 0.19 0.24 -0.51 Steel SX
|
||||
>>> cm.from_table(t,O='qu',phase='phase',homogenization='homog')
|
||||
material:
|
||||
- constituents:
|
||||
|
|
@ -209,8 +209,8 @@ class ConfigMaterial(Config):
|
|||
v: 1.0
|
||||
phase: Steel
|
||||
homogenization: SX
|
||||
homogenization: {}
|
||||
phase: {}
|
||||
homogenization: {SX: null}
|
||||
phase: {Aluminum: null, Steel: null}
|
||||
|
||||
>>> cm.from_table(t,O='qu',phase='phase',homogenization='single_crystal')
|
||||
material:
|
||||
|
|
@ -224,8 +224,8 @@ class ConfigMaterial(Config):
|
|||
v: 1.0
|
||||
phase: Steel
|
||||
homogenization: single_crystal
|
||||
homogenization: {}
|
||||
phase: {}
|
||||
homogenization: {single_crystal: null}
|
||||
phase: {Aluminum: null, Steel: null}
|
||||
|
||||
"""
|
||||
kwargs_ = {k:table.get(v) if v in table.labels else np.atleast_2d([v]*len(table)).T for k,v in kwargs.items()}
|
||||
|
|
@ -233,6 +233,8 @@ class ConfigMaterial(Config):
|
|||
_,idx = np.unique(np.hstack(list(kwargs_.values())),return_index=True,axis=0)
|
||||
idx = np.sort(idx)
|
||||
kwargs_ = {k:np.atleast_1d(v[idx].squeeze()) for k,v in kwargs_.items()}
|
||||
for what in ['phase','homogenization']:
|
||||
if what not in kwargs_: kwargs_[what] = what+'_label'
|
||||
|
||||
return ConfigMaterial().material_add(**kwargs_)
|
||||
|
||||
|
|
@ -243,7 +245,7 @@ class ConfigMaterial(Config):
|
|||
Check for completeness.
|
||||
|
||||
Only the general file layout is considered.
|
||||
This check does not consider whether parameters for
|
||||
This check does not consider whether specific parameters for
|
||||
a particular phase/homogenization model are missing.
|
||||
|
||||
Returns
|
||||
|
|
@ -252,52 +254,56 @@ class ConfigMaterial(Config):
|
|||
Whether the material.yaml definition is complete.
|
||||
|
||||
"""
|
||||
def LabeledList(label,items):
|
||||
return f'{label.capitalize()}{"s" if len(items)>1 else ""} {util.srepr(items,",",quote=True)}'
|
||||
|
||||
ok = True
|
||||
for top_level in ['homogenization','phase','material']:
|
||||
ok &= top_level in self
|
||||
if top_level not in self: print(f'{top_level} entry missing')
|
||||
msg = []
|
||||
all = set(['homogenization','phase','material'])
|
||||
miss = set([item for item in all if item not in self])
|
||||
empty = set([item for item in all-miss if self[item] is None])
|
||||
|
||||
if miss:
|
||||
msg.append(f'{LabeledList("top-level",miss)} missing')
|
||||
ok = False
|
||||
if empty:
|
||||
msg.append(f'{LabeledList("top-level",empty)} empty')
|
||||
|
||||
if ok:
|
||||
ok &= len(self['material']) > 0
|
||||
if len(self['material']) < 1: print('Incomplete material definition')
|
||||
ok &= len(self['material']) > 0
|
||||
if len(self['material']) < 1: msg.append('No materials defined')
|
||||
|
||||
if ok:
|
||||
homogenization = set()
|
||||
phase = set()
|
||||
for i,v in enumerate(self['material']):
|
||||
if 'homogenization' in v:
|
||||
homogenization.add(v['homogenization'])
|
||||
else:
|
||||
print(f'No homogenization specified in material {i}')
|
||||
msg.append(f'No homogenization specified for material {i}')
|
||||
ok = False
|
||||
|
||||
if 'constituents' in v:
|
||||
for ii,vv in enumerate(v['constituents']):
|
||||
if 'O' not in vv:
|
||||
print('No orientation specified in constituent {ii} of material {i}')
|
||||
msg.append(f'No orientation specified for constituent {ii} of material {i}')
|
||||
ok = False
|
||||
if 'phase' in vv:
|
||||
phase.add(vv['phase'])
|
||||
else:
|
||||
print(f'No phase specified in constituent {ii} of material {i}')
|
||||
msg.append(f'No phase specified for constituent {ii} of material {i}')
|
||||
ok = False
|
||||
|
||||
for k,v in self['phase'].items():
|
||||
if 'lattice' not in v:
|
||||
print(f'No lattice specified in phase {k}')
|
||||
for v,other in {'phase':phase,
|
||||
'homogenization':homogenization}.items():
|
||||
me = set([] if v in empty else self[v])
|
||||
if _miss := other - me:
|
||||
msg.append(f'{LabeledList(v,_miss)} missing')
|
||||
ok = False
|
||||
if len(_empty := [item for item in me if self[v][item] is None]) > 0:
|
||||
msg.append(f'{LabeledList(v,_empty)} undefined')
|
||||
ok = False
|
||||
|
||||
for k,v in self['homogenization'].items():
|
||||
if 'N_constituents' not in v:
|
||||
print(f'No. of constituents not specified in homogenization {k}')
|
||||
ok = False
|
||||
|
||||
if phase - set(self['phase']):
|
||||
print(f'Phase(s) {phase-set(self["phase"])} missing')
|
||||
ok = False
|
||||
if homogenization - set(self['homogenization']):
|
||||
print(f'Homogenization(s) {homogenization-set(self["homogenization"])} missing')
|
||||
ok = False
|
||||
print(util.srepr(msg))
|
||||
return ok
|
||||
|
||||
|
||||
|
|
@ -320,7 +326,7 @@ class ConfigMaterial(Config):
|
|||
|
||||
if 'phase' in self:
|
||||
for k,v in self['phase'].items():
|
||||
if 'lattice' in v:
|
||||
if v is not None and 'lattice' in v:
|
||||
try:
|
||||
Orientation(lattice=v['lattice'])
|
||||
except KeyError:
|
||||
|
|
@ -418,6 +424,8 @@ class ConfigMaterial(Config):
|
|||
----------
|
||||
**kwargs
|
||||
Key-value pairs.
|
||||
First index of array-like values runs over materials,
|
||||
whereas second index runs over constituents.
|
||||
|
||||
Returns
|
||||
-------
|
||||
|
|
@ -426,13 +434,12 @@ class ConfigMaterial(Config):
|
|||
|
||||
Examples
|
||||
--------
|
||||
Create a dual-phase steel microstructure for micromechanical simulations:
|
||||
Create two grains of ferrite and one grain of martensite, each with random orientation:
|
||||
|
||||
>>> import numpy as np
|
||||
>>> import damask
|
||||
>>> m = damask.ConfigMaterial()
|
||||
>>> m = m.material_add(phase = ['Ferrite','Martensite'],
|
||||
... O = damask.Rotation.from_random(2),
|
||||
>>> m = m.material_add(phase = ['Ferrite','Martensite','Ferrite'],
|
||||
... O = damask.Rotation.from_random(3),
|
||||
... homogenization = 'SX')
|
||||
>>> m
|
||||
material:
|
||||
|
|
@ -446,60 +453,91 @@ class ConfigMaterial(Config):
|
|||
v: 1.0
|
||||
phase: Martensite
|
||||
homogenization: SX
|
||||
homogenization: {}
|
||||
phase: {}
|
||||
- constituents:
|
||||
- O: [0.47925185, -0.04294454, 0.78760173, -0.3849116 ]
|
||||
v: 1.0
|
||||
phase: Ferrite
|
||||
homogenization: SX
|
||||
homogenization: {SX: null}
|
||||
phase: {Ferrite: null, Martensite: null}
|
||||
|
||||
Create a duplex stainless steel microstructure for forming simulations:
|
||||
Create hundred materials that each approximate a duplex stainless steel microstructure
|
||||
with three austenite and one relatively bigger ferrite grain of random orientation each:
|
||||
|
||||
>>> import numpy as np
|
||||
>>> import damask
|
||||
>>> m = damask.ConfigMaterial()
|
||||
>>> m = m.material_add(phase = np.array(['Austenite','Ferrite']).reshape(1,2),
|
||||
... O = damask.Rotation.from_random((2,2)),
|
||||
... v = np.array([0.2,0.8]).reshape(1,2),
|
||||
>>> m = m.material_add(phase = np.array(['Austenite']*3+['Ferrite']),
|
||||
... O = damask.Rotation.from_random((100,4)),
|
||||
... v = np.array([0.2]*3+[0.4]),
|
||||
... homogenization = 'Taylor')
|
||||
>>> m
|
||||
material:
|
||||
- constituents:
|
||||
- phase: Austenite
|
||||
O: [0.659802978293224, 0.6953785848195171, 0.22426295326327111, -0.17554139512785227]
|
||||
v: 0.2
|
||||
- phase: Ferrite
|
||||
O: [0.49356745891301596, 0.2841806579193434, -0.7487679215072818, -0.339085707289975]
|
||||
v: 0.8
|
||||
- v: 0.2
|
||||
phase: Austenite
|
||||
O: [0.46183665006602664, 0.2215160420973196, -0.5594313187331139, 0.6516702781083836]
|
||||
- v: 0.2
|
||||
phase: Austenite
|
||||
O: [0.11321658382410027, 0.6354079414360444, 0.00562701344273936, 0.7638108992590535]
|
||||
- v: 0.2
|
||||
phase: Austenite
|
||||
O: [0.050991978809077604, 0.8069522034362003, -0.11352928955610851, -0.5773552285027659]
|
||||
- v: 0.4
|
||||
phase: Ferrite
|
||||
O: [0.9460076150721788, 0.15880754622367604, -0.0069841062241482385, -0.28249066842661014]
|
||||
homogenization: Taylor
|
||||
.
|
||||
.
|
||||
.
|
||||
- constituents:
|
||||
- phase: Austenite
|
||||
O: [0.26542221365204055, 0.7268854930702071, 0.4474726435701472, -0.44828201137283735]
|
||||
v: 0.2
|
||||
- phase: Ferrite
|
||||
O: [0.6545817158479885, -0.08004812803625233, -0.6226561293931374, 0.4212059104577611]
|
||||
v: 0.8
|
||||
- v: 0.2
|
||||
phase: Austenite
|
||||
O: [0.12531400788494199, -0.18637769037997565, 0.31737548053338394, -0.9213210951197429]
|
||||
- v: 0.2
|
||||
phase: Austenite
|
||||
O: [0.37453930577161404, -0.33529507696450805, -0.3266564259130028, -0.800370601162502]
|
||||
- v: 0.2
|
||||
phase: Austenite
|
||||
O: [0.035776891752713764, -0.720706371010592, -0.4540438656728926, -0.5226342017569017]
|
||||
- v: 0.4
|
||||
phase: Ferrite
|
||||
O: [0.6782596727966124, -0.20800082041703685, -0.138636083554039, 0.6909989227925536]
|
||||
homogenization: Taylor
|
||||
homogenization: {}
|
||||
phase: {}
|
||||
|
||||
homogenization: {Taylor: null}
|
||||
|
||||
phase: {Austenite: null, Ferrite: null}
|
||||
|
||||
"""
|
||||
N,n,shaped = 1,1,{}
|
||||
_constituent_properties = ['phase','O','v','V_e']
|
||||
_dim = {'O':(4,),'V_e':(3,3,)}
|
||||
_ex = dict((k, -len(v)) for k, v in _dim.items())
|
||||
|
||||
N,n = 1,1
|
||||
shaped : Dict[str, Union[None,np.ndarray]] = \
|
||||
{'v': None,
|
||||
'phase': None,
|
||||
'homogenization': None,
|
||||
}
|
||||
|
||||
map_dim = {'O':-1,'V_e':-2}
|
||||
for k,v in kwargs.items():
|
||||
shaped[k] = np.array(v)
|
||||
s = shaped[k].shape[:map_dim.get(k,None)]
|
||||
s = shaped[k].shape[:_ex.get(k,None)] # type: ignore
|
||||
N = max(N,s[0]) if len(s)>0 else N
|
||||
n = max(n,s[1]) if len(s)>1 else n
|
||||
|
||||
shaped['v'] = np.array(1./n) if shaped['v'] is None else shaped['v']
|
||||
|
||||
mat: Sequence[dict] = [{'constituents':[{} for _ in range(n)]} for _ in range(N)]
|
||||
|
||||
if 'v' not in kwargs:
|
||||
shaped['v'] = np.broadcast_to(1/n,(N,n))
|
||||
|
||||
map_shape = {'O':(N,n,4),'V_e':(N,n,3,3)}
|
||||
for k,v in shaped.items():
|
||||
target = map_shape.get(k,(N,n))
|
||||
obj = np.broadcast_to(v.reshape(util.shapeshifter(v.shape, target, mode = 'right')), target)
|
||||
target = (N,n) + _dim.get(k,())
|
||||
obj = np.broadcast_to(np.array(v).reshape(util.shapeshifter(() if v is None else v.shape,
|
||||
target,
|
||||
mode = 'right')),
|
||||
target)
|
||||
for i in range(N):
|
||||
if k in ['phase','O','v','V_e']:
|
||||
if k in _constituent_properties:
|
||||
for j in range(n):
|
||||
mat[i]['constituents'][j][k] = obj[i,j].item() if isinstance(obj[i,j],np.generic) else obj[i,j]
|
||||
else:
|
||||
|
|
@ -508,4 +546,8 @@ class ConfigMaterial(Config):
|
|||
dup = self.copy()
|
||||
dup['material'] = dup['material'] + mat if 'material' in dup else mat
|
||||
|
||||
for what in [item for item in ['phase','homogenization'] if shaped[item] is not None]:
|
||||
for k in np.unique(shaped[what]): # type: ignore
|
||||
if k not in dup[what]: dup[what][str(k)] = None
|
||||
|
||||
return dup
|
||||
|
|
|
|||
|
|
@ -40,9 +40,10 @@ _colors = {
|
|||
# Functions
|
||||
####################################################################################################
|
||||
def srepr(msg,
|
||||
glue: str = '\n') -> str:
|
||||
glue: str = '\n',
|
||||
quote: bool = False) -> str:
|
||||
r"""
|
||||
Join items with glue string.
|
||||
Join (quoted) items with glue string.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
|
|
@ -50,19 +51,22 @@ def srepr(msg,
|
|||
Items to join.
|
||||
glue : str, optional
|
||||
Glue used for joining operation. Defaults to '\n'.
|
||||
quote : bool, optional
|
||||
Quote items. Defaults to False.
|
||||
|
||||
Returns
|
||||
-------
|
||||
joined : str
|
||||
String representation of the joined items.
|
||||
String representation of the joined and quoted items.
|
||||
|
||||
"""
|
||||
q = '"' if quote else ''
|
||||
if (not hasattr(msg, 'strip') and
|
||||
(hasattr(msg, '__getitem__') or
|
||||
hasattr(msg, '__iter__'))):
|
||||
return glue.join(str(x) for x in msg)
|
||||
return glue.join(q+str(x)+q for x in msg)
|
||||
else:
|
||||
return msg if isinstance(msg,str) else repr(msg)
|
||||
return q+(msg if isinstance(msg,str) else repr(msg))+q
|
||||
|
||||
|
||||
def emph(msg) -> str:
|
||||
|
|
|
|||
|
|
@ -1,4 +1,4 @@
|
|||
phase: {'1': t.b.d., '2': t.b.d.}
|
||||
phase: {'1': null, '2': null}
|
||||
|
||||
homogenization:
|
||||
direct: {N_constituents: 1}
|
||||
|
|
|
|||
|
|
@ -65,17 +65,6 @@ class TestConfigMaterial:
|
|||
del material_config['material'][0]['homogenization']
|
||||
assert not material_config.is_complete
|
||||
|
||||
def test_incomplete_homogenization_N_constituents(self,ref_path):
|
||||
material_config = ConfigMaterial.load(ref_path/'material.yaml')
|
||||
for h in material_config['homogenization'].keys():
|
||||
del material_config['homogenization'][h]['N_constituents']
|
||||
assert not material_config.is_complete
|
||||
|
||||
def test_incomplete_phase_lattice(self,ref_path):
|
||||
material_config = ConfigMaterial.load(ref_path/'material.yaml')
|
||||
del material_config['phase']['Aluminum']['lattice']
|
||||
assert not material_config.is_complete
|
||||
|
||||
def test_incomplete_wrong_phase(self,ref_path):
|
||||
material_config = ConfigMaterial.load(ref_path/'material.yaml')
|
||||
new = material_config.material_rename_phase({'Steel':'FeNbC'})
|
||||
|
|
@ -86,6 +75,16 @@ class TestConfigMaterial:
|
|||
new = material_config.material_rename_homogenization({'Taylor':'isostrain'})
|
||||
assert not new.is_complete
|
||||
|
||||
def test_empty_phase(self,ref_path):
|
||||
material_config = ConfigMaterial.load(ref_path/'material.yaml')
|
||||
material_config['phase'] = None
|
||||
assert not material_config.is_complete
|
||||
|
||||
def test_empty_homogenization(self,ref_path):
|
||||
material_config = ConfigMaterial.load(ref_path/'material.yaml')
|
||||
material_config['homogenization'] = None
|
||||
assert not material_config.is_complete
|
||||
|
||||
def test_from_table(self):
|
||||
N = np.random.randint(3,10)
|
||||
a = np.vstack((np.hstack((np.arange(N),np.arange(N)[::-1])),
|
||||
|
|
@ -98,6 +97,15 @@ class TestConfigMaterial:
|
|||
for i,m in enumerate(c['material']):
|
||||
assert m['homogenization'] == 1 and (m['constituents'][0]['O'] == [1,0,1,1]).all()
|
||||
|
||||
def test_updated_dicts(self,ref_path):
|
||||
m1 = ConfigMaterial().material_add(phase=['Aluminum'],O=[1.0,0.0,0.0,0.0],homogenization='SX')
|
||||
m2 = ConfigMaterial.load(ref_path/'material.yaml')
|
||||
for k in m2['phase']:
|
||||
m2 = m2.material_add(phase=[k],O=[1.0,0.0,0.0,0.0],homogenization='SX')
|
||||
assert not m2['phase'].get(k) is None
|
||||
assert m1['phase'].get('Aluminum') is None
|
||||
assert m1['homogenization'].get('SX') is None
|
||||
|
||||
def test_from_table_with_constant(self):
|
||||
N = np.random.randint(3,10)
|
||||
a = np.vstack((np.hstack((np.arange(N),np.arange(N)[::-1])),
|
||||
|
|
|
|||
Loading…
Reference in New Issue