check for invalid materialpoint configuration
This commit is contained in:
Martin Diehl
parent
fd84406903
commit
46ad436d76
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@ -8,6 +8,7 @@ from . import Config
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from . import Rotation
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from . import Orientation
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from . import util
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from . import tensor
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from . import Table
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@ -443,7 +444,7 @@ class ConfigMaterial(Config):
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Phase label (per constituent).
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v: (array-like) of float, optional
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Constituent volume fraction (per constituent).
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Defaults to 1/N_constituents
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Defaults to 1/N_constituent.
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O: (array-like) of damask.Rotation or np.array/list of shape(4), optional
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Orientation as unit quaternion (per constituent).
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V_e: (array-like) of np.array/list of shape(3,3), optional
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@ -536,48 +537,44 @@ class ConfigMaterial(Config):
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phase: {Austenite: null, Ferrite: null}
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"""
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kwargs = {}
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for keyword,value in zip(['homogenization','phase','v','O','V_e'],[homogenization,phase,v,O,V_e]):
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if value is not None: kwargs[keyword] = value
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_constituent_properties = ['phase','O','v','V_e']
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_dim = {'O':(4,),'V_e':(3,3,)}
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_ex = dict((k, -len(v)) for k, v in _dim.items())
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dim = {'O':(4,),'V_e':(3,3,)}
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ex = dict((keyword, -len(val)) for keyword,val in dim.items())
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N_materials,N_constituents = 1,1
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shaped : Dict[str, Union[None,np.ndarray]] = \
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{'v': None,
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'phase': None,
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'homogenization': None,
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}
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for arg,value in kwargs.items():
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shaped[arg] = np.array(value)
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s = shaped[arg].shape[:_ex.get(arg,None)] # type: ignore
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shaped = {}
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for arg,val in zip(['homogenization','phase','v','O','V_e'],[homogenization,phase,v,O,V_e]):
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if val is None: continue
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shaped[arg] = np.array(val)
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s = shaped[arg].shape[:ex.get(arg,None)] # type: ignore
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N_materials = max(N_materials,s[0]) if len(s)>0 else N_materials
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N_constituents = max(N_constituents,s[1]) if len(s)>1 else N_constituents
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shaped['v'] = np.array(1./N_constituents) if shaped['v'] is None else shaped['v']
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shaped['v'] = np.array(shaped.get('v',1./N_constituents),float)
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mat: Sequence[dict] = [{'constituents':[{} for _ in range(N_constituents)]} for _ in range(N_materials)]
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for k,v in shaped.items():
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target = (N_materials,N_constituents) + _dim.get(k,())
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obj = np.broadcast_to(np.array(v).reshape(util.shapeshifter(() if v is None else v.shape,
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target,
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mode = 'right')),
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target)
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target = (N_materials,N_constituents) + dim.get(k,())
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obj = np.broadcast_to(np.array(v).reshape(util.shapeshifter(np.array(v).shape,target,'right')),target)
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if k == 'v':
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total = obj if len(np.atleast_1d(obj)) == 1 else np.sum(obj,axis=-1)
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if np.min(obj) < 0 or np.min(total) < 0 or np.max(total) > 1:
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raise ValueError('volume fraction "v" out of range')
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if k == 'O' and not np.allclose(1.0,np.linalg.norm(obj,axis=-1)):
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raise ValueError('orientation "O" is not a unit quaterion')
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elif k == 'V_e' and not np.allclose(obj,tensor.symmetric(obj)):
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raise ValueError('elastic stretch "V_e" is not symmetric')
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for i in range(N_materials):
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if k in _constituent_properties:
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for j in range(N_constituents):
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mat[i]['constituents'][j][k] = obj[i,j].item() if isinstance(obj[i,j],np.generic) else obj[i,j]
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if k == 'homogenization':
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mat[i][k] = obj[i,0]
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else:
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mat[i][k] = obj[i,0].item() if isinstance(obj[i,0],np.generic) else obj[i,0]
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for j in range(N_constituents):
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mat[i]['constituents'][j][k] = obj[i,j]
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dup = self.copy()
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dup['material'] = dup['material'] + mat if 'material' in dup else mat
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for what in [item for item in ['phase','homogenization'] if shaped[item] is not None]:
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for what in [item for item in ['phase','homogenization'] if item in shaped]:
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for k in np.unique(shaped[what]): # type: ignore
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if k not in dup[what]: dup[what][str(k)] = None
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@ -16,6 +16,27 @@ def ref_path(ref_path_base):
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class TestConfigMaterial:
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def test_init_empty(self):
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c = ConfigMaterial()
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assert len(c) == 3
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assert c['homogenization'] == {}
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assert c['phase'] == {}
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assert c['material'] == []
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def test_init_d(self):
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c = ConfigMaterial(config={'phase':4})
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assert len(c) == 1
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assert c['phase'] == 4
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@pytest.mark.parametrize('kwargs',[{'homogenization':{'SX':{}}},
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{'phase':{'Aluminum':{}}},
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{'material':[{'A':1},{'B':2}]}])
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def test_init_some(self,kwargs):
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c = ConfigMaterial(**kwargs)
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assert len(c) == 3
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for k,v in kwargs.items():
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if k in kwargs: assert v == kwargs[k]
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@pytest.mark.parametrize('fname',[None,'test.yaml'])
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def test_load_save(self,ref_path,tmp_path,fname):
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reference = ConfigMaterial.load(ref_path/'material.yaml')
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@ -88,14 +109,14 @@ class TestConfigMaterial:
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def test_from_table(self):
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N = np.random.randint(3,10)
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a = np.vstack((np.hstack((np.arange(N),np.arange(N)[::-1])),
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np.ones(N*2),np.zeros(N*2),np.ones(N*2),np.ones(N*2),
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np.zeros(N*2),np.ones(N*2),np.zeros(N*2),np.zeros(N*2),
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np.ones(N*2),
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)).T
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t = Table({'varying':1,'constant':4,'ones':1},a)
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c = ConfigMaterial.from_table(t,**{'phase':'varying','O':'constant','homogenization':'ones'})
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assert len(c['material']) == N
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for i,m in enumerate(c['material']):
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assert m['homogenization'] == 1 and (m['constituents'][0]['O'] == [1,0,1,1]).all()
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assert m['homogenization'] == 1 and (m['constituents'][0]['O'] == [0,1,0,0]).all()
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def test_updated_dicts(self,ref_path):
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m1 = ConfigMaterial().material_add(phase=['Aluminum'],O=[1.0,0.0,0.0,0.0],homogenization='SX')
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@ -109,14 +130,14 @@ class TestConfigMaterial:
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def test_from_table_with_constant(self):
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N = np.random.randint(3,10)
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a = np.vstack((np.hstack((np.arange(N),np.arange(N)[::-1])),
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np.ones(N*2),np.zeros(N*2),np.ones(N*2),np.ones(N*2),
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np.zeros(N*2),np.ones(N*2),np.zeros(N*2),np.zeros(N*2),
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np.ones(N*2),
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)).T
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t = Table({'varying':1,'constant':4,'ones':1},a)
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c = ConfigMaterial.from_table(t,**{'phase':'varying','O':'constant','homogenization':1})
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assert len(c['material']) == N
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for i,m in enumerate(c['material']):
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assert m['homogenization'] == 1 and (m['constituents'][0]['O'] == [1,0,1,1]).all()
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assert m['homogenization'] == 1 and (m['constituents'][0]['O'] == [0,1,0,0]).all()
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@pytest.mark.parametrize('N,n,kw',[
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(1,1,{'phase':'Gold',
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@ -137,6 +158,14 @@ class TestConfigMaterial:
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assert len(m['material']) == N
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assert len(m['material'][0]['constituents']) == n
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@pytest.mark.parametrize('shape',[(),(4,),(5,2)])
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@pytest.mark.parametrize('kw',[{'V_e':np.random.rand(3,3)},
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{'O':np.random.rand(4)},
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{'v':np.array(2)}])
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def test_material_add_invalid(self,kw,shape):
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kw = {arg:np.broadcast_to(val,shape+val.shape) for arg,val in kw.items()}
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with pytest.raises(ValueError):
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ConfigMaterial().material_add(**kw)
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@pytest.mark.parametrize('cell_ensemble_data',[None,'CellEnsembleData'])
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def test_load_DREAM3D(self,ref_path,cell_ensemble_data):
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