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proper dealing with default/mandatory items in material_add

This commit is contained in:
Philip Eisenlohr 2022-11-18 16:30:26 -05:00
parent d374f6a02c
commit 7e5a3a12ab
1 changed files with 62 additions and 30 deletions
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92
python/damask/_configmaterial.py
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@ -424,6 +424,8 @@ class ConfigMaterial(Config):
---------- ----------
**kwargs **kwargs
Key-value pairs. Key-value pairs.
First index of array-like values runs over materials,
whereas second index runs over constituents.
Returns Returns
------- -------
@ -432,12 +434,12 @@ class ConfigMaterial(Config):
Examples 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 damask >>> import damask
>>> m = damask.ConfigMaterial() >>> m = damask.ConfigMaterial()
>>> m = m.material_add(phase = ['Ferrite','Martensite'], >>> m = m.material_add(phase = ['Ferrite','Martensite','Ferrite'],
... O = damask.Rotation.from_random(2), ... O = damask.Rotation.from_random(3),
... homogenization = 'SX') ... homogenization = 'SX')
>>> m >>> m
material: material:
@ -451,59 +453,89 @@ class ConfigMaterial(Config):
v: 1.0 v: 1.0
phase: Martensite phase: Martensite
homogenization: SX homogenization: SX
- constituents:
- O: [0.47925185, -0.04294454, 0.78760173, -0.3849116 ]
v: 1.0
phase: Ferrite
homogenization: SX
homogenization: {SX: null} homogenization: {SX: null}
phase: {Ferrite: null, Martensite: 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 damask >>> import damask
>>> m = damask.ConfigMaterial() >>> m = damask.ConfigMaterial()
>>> m = m.material_add(phase = np.array(['Austenite','Ferrite']).reshape(1,2), >>> m = m.material_add(phase = np.array(['Austenite']*3+['Ferrite']),
... O = damask.Rotation.from_random((2,2)), ... O = damask.Rotation.from_random((100,4)),
... v = np.array([0.2,0.8]).reshape(1,2), ... v = np.array([0.2]*3+[0.4]),
... homogenization = 'Taylor') ... homogenization = 'Taylor')
>>> m >>> m
material: material:
- constituents: - constituents:
- phase: Austenite - v: 0.2
O: [0.659802978293224, 0.6953785848195171, 0.22426295326327111, -0.17554139512785227] phase: Austenite
v: 0.2 O: [0.46183665006602664, 0.2215160420973196, -0.5594313187331139, 0.6516702781083836]
- phase: Ferrite - v: 0.2
O: [0.49356745891301596, 0.2841806579193434, -0.7487679215072818, -0.339085707289975] phase: Austenite
v: 0.8 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 homogenization: Taylor
.
.
.
- constituents: - constituents:
- phase: Austenite - v: 0.2
O: [0.26542221365204055, 0.7268854930702071, 0.4474726435701472, -0.44828201137283735] phase: Austenite
v: 0.2 O: [0.12531400788494199, -0.18637769037997565, 0.31737548053338394, -0.9213210951197429]
- phase: Ferrite - v: 0.2
O: [0.6545817158479885, -0.08004812803625233, -0.6226561293931374, 0.4212059104577611] phase: Austenite
v: 0.8 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: Taylor
homogenization: {Taylor: null} homogenization: {Taylor: null}
phase: {Austenite: null, Ferrite: 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,shaped = 1,1,{'v': None,
'phase': None,
'homogenization': None,
}
map_dim = {'O':-1,'V_e':-2}
for k,v in kwargs.items(): for k,v in kwargs.items():
shaped[k] = np.array(v) shaped[k] = np.array(v)
s = shaped[k].shape[:map_dim.get(k,None)] s = shaped[k].shape[:_ex.get(k,None)]
N = max(N,s[0]) if len(s)>0 else N N = max(N,s[0]) if len(s)>0 else N
n = max(n,s[1]) if len(s)>1 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)] 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(): for k,v in shaped.items():
target = map_shape.get(k,(N,n)) target = (N,n) + _dim.get(k,())
obj = np.broadcast_to(v.reshape(util.shapeshifter(v.shape, target, mode = 'right')), target) 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): for i in range(N):
if k in ['phase','O','v','V_e']: if k in _constituent_properties:
for j in range(n): 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] mat[i]['constituents'][j][k] = obj[i,j].item() if isinstance(obj[i,j],np.generic) else obj[i,j]
else: else:
@ -514,6 +546,6 @@ class ConfigMaterial(Config):
for what in ['phase','homogenization']: for what in ['phase','homogenization']:
for k in np.unique(shaped[what]): for k in np.unique(shaped[what]):
if k not in dup[what]: dup[what][str(k)] = None if not (k is None or k in dup[what]): dup[what][str(k)] = None
return dup return dup