Merge branch 'generalize-configmaterial' into 'development'
Generalize configmaterial See merge request damask/DAMASK!346
This commit is contained in:
Sharan Roongta
commit
0d0226f703
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit f654a4143b1fbbecd137dc5d2193f5cf48ab1448
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Subproject commit 0289c1bbfec1a1aef77a8cbaeed134035549e738
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@ -3,6 +3,7 @@ import numpy as np
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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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class ConfigMaterial(Config):
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"""Material configuration."""
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@ -46,7 +47,7 @@ class ConfigMaterial(Config):
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@staticmethod
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def from_table(table,constituents={},**kwargs):
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def from_table(table,**kwargs):
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"""
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Load from an ASCII table.
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@ -54,12 +55,9 @@ class ConfigMaterial(Config):
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----------
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table : damask.Table
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Table that contains material information.
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constituents : dict, optional
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Entries for 'constituents'. The key is the name and the value specifies
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the label of the data column in the table
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**kwargs
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Keyword arguments where the key is the name and the value specifies
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the label of the data column in the table
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the label of the data column in the table.
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Examples
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--------
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@ -70,7 +68,8 @@ class ConfigMaterial(Config):
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pos pos pos qu qu qu qu phase homog
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0 0 0 0 0.19 0.8 0.24 -0.51 Aluminum SX
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1 1 0 0 0.8 0.19 0.24 -0.51 Steel SX
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>>> cm.from_table(t,{'O':'qu','phase':'phase'},homogenization='homog')
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1 1 1 0 0.8 0.19 0.24 -0.51 Steel SX
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>>> cm.from_table(t,O='qu',phase='phase',homogenization='homog')
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material:
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- constituents:
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- O: [0.19, 0.8, 0.24, -0.51]
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@ -86,16 +85,13 @@ class ConfigMaterial(Config):
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phase: {}
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"""
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constituents_ = {k:table.get(v) for k,v in constituents.items()}
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kwargs_ = {k:table.get(v) for k,v in kwargs.items()}
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_,idx = np.unique(np.hstack(list({**constituents_,**kwargs_}.values())),return_index=True,axis=0)
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_,idx = np.unique(np.hstack(list(kwargs_.values())),return_index=True,axis=0)
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idx = np.sort(idx)
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constituents_ = {k:np.atleast_1d(v[idx].squeeze()) for k,v in constituents_.items()}
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kwargs_ = {k:np.atleast_1d(v[idx].squeeze()) for k,v in kwargs_.items()}
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return ConfigMaterial().material_add(constituents_,**kwargs_)
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return ConfigMaterial().material_add(**kwargs_)
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@property
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@ -153,7 +149,7 @@ class ConfigMaterial(Config):
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@property
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def is_valid(self):
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"""Check for valid file layout."""
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"""Check for valid content."""
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ok = True
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if 'phase' in self:
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@ -162,8 +158,7 @@ class ConfigMaterial(Config):
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try:
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Orientation(lattice=v['lattice'])
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except KeyError:
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s = v['lattice']
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print(f"Invalid lattice: '{s}' in phase '{k}'")
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print(f"Invalid lattice '{v['lattice']}' in phase '{k}'")
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ok = False
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if 'material' in self:
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@ -171,16 +166,15 @@ class ConfigMaterial(Config):
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if 'constituents' in m:
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v = 0.0
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for c in m['constituents']:
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v+= float(c['v'])
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v += float(c['v'])
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if 'O' in c:
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try:
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Rotation.from_quaternion(c['O'])
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except ValueError:
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o = c['O']
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print(f"Invalid orientation: '{o}' in material '{i}'")
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print(f"Invalid orientation '{c['O']}' in material '{i}'")
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ok = False
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if not np.isclose(v,1.0):
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print(f"Invalid total fraction (v) '{v}' in material '{i}'")
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print(f"Total fraction v = {v} ≠ 1 in material '{i}'")
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ok = False
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return ok
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@ -199,6 +193,11 @@ class ConfigMaterial(Config):
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constituent: list of ints, optional
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Limit renaming to selected constituents.
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Returns
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-------
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cfg : damask.ConfigMaterial
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Updated material configuration.
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"""
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dup = self.copy()
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for i,m in enumerate(dup['material']):
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@ -223,6 +222,11 @@ class ConfigMaterial(Config):
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ID: list of ints, optional
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Limit renaming to selected homogenization IDs.
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Returns
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-------
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cfg : damask.ConfigMaterial
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Updated material configuration.
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"""
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dup = self.copy()
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for i,m in enumerate(dup['material']):
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@ -234,24 +238,27 @@ class ConfigMaterial(Config):
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return dup
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def material_add(self,constituents=None,**kwargs):
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def material_add(self,**kwargs):
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"""
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Add material entries.
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Parameters
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----------
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constituents : dict, optional
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Entries for 'constituents' as key-value pair.
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**kwargs
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Key-value pairs.
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Returns
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-------
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cfg : damask.ConfigMaterial
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Updated material configuration.
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Examples
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--------
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>>> import numpy as np
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>>> import damask
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>>> O = damask.Rotation.from_random(3)
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>>> phase = ['Aluminum','Steel','Aluminum']
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>>> m = damask.ConfigMaterial().material_add(constituents={'phase':phase,'O':O},
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... homogenization='SX')
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>>> m = damask.ConfigMaterial().material_add(phase = ['Aluminum','Steel'],
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... O = damask.Rotation.from_random(2),
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... homogenization = 'SX')
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>>> m
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material:
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- constituents:
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@ -264,63 +271,59 @@ class ConfigMaterial(Config):
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v: 1.0
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phase: Steel
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homogenization: SX
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homogenization: {}
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phase: {}
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>>> m = damask.ConfigMaterial().material_add(phase = np.array(['Austenite','Martensite']).reshape(1,2),
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... O = damask.Rotation.from_random((2,2)),
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... v = np.array([0.2,0.8]).reshape(1,2),
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... homogenization = ['A','B'])
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>>> m
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material:
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- constituents:
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- O: [0.0886257, -0.144848, 0.615674, -0.769487]
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v: 1.0
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phase: Aluminum
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homogenization: SX
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- phase: Austenite
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O: [0.659802978293224, 0.6953785848195171, 0.22426295326327111, -0.17554139512785227]
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v: 0.2
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- phase: Martensite
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O: [0.49356745891301596, 0.2841806579193434, -0.7487679215072818, -0.339085707289975]
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v: 0.8
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homogenization: A
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- constituents:
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- phase: Austenite
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O: [0.26542221365204055, 0.7268854930702071, 0.4474726435701472, -0.44828201137283735]
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v: 0.2
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- phase: Martensite
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O: [0.6545817158479885, -0.08004812803625233, -0.6226561293931374, 0.4212059104577611]
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v: 0.8
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homogenization: B
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homogenization: {}
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phase: {}
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"""
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length = -1
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for v in kwargs.values():
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if hasattr(v,'__len__') and not isinstance(v,str):
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if length != -1 and len(v) != length:
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raise ValueError('Cannot add entries of different length')
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else:
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length = len(v)
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length = max(1,length)
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c = [{} for _ in range(length)] if constituents is None else \
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[{'constituents':u} for u in ConfigMaterial._constituents(**constituents)]
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if len(c) == 1: c = [c[0] for _ in range(length)]
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if length != 1 and length != len(c):
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raise ValueError('Cannot add entries of different length')
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N,n,shaped = 1,1,{}
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for k,v in kwargs.items():
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if hasattr(v,'__len__') and not isinstance(v,str):
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for i,vv in enumerate(v):
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c[i][k] = vv.item() if isinstance(vv,np.generic) else vv
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shaped[k] = np.array(v)
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s = shaped[k].shape[:-1] if k=='O' else shaped[k].shape
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N = max(N,s[0]) if len(s)>0 else N
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n = max(n,s[1]) if len(s)>1 else n
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mat = [{'constituents':[{} for _ in range(n)]} for _ in range(N)]
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if 'v' not in kwargs:
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shaped['v'] = np.broadcast_to(1/n,(N,n))
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for k,v in shaped.items():
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target = (N,n,4) if k=='O' else (N,n)
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obj = np.broadcast_to(v.reshape(util.shapeshifter(v.shape,target,mode='right')),target)
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for i in range(N):
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if k in ['phase','O','v']:
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for j in range(n):
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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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else:
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for i in range(len(c)):
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c[i][k] = v
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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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dup = self.copy()
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dup['material'] = dup['material'] + c if 'material' in dup else c
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dup['material'] = dup['material'] + mat if 'material' in dup else mat
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return dup
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@staticmethod
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def _constituents(N=1,**kwargs):
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"""Construct list of constituents."""
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N_material=1
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for v in kwargs.values():
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if hasattr(v,'__len__') and not isinstance(v,str): N_material = len(v)
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if N == 1:
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m = [[{'v':1.0}] for _ in range(N_material)]
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for k,v in kwargs.items():
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if hasattr(v,'__len__') and not isinstance(v,str):
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if len(v) != N_material:
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raise ValueError('Cannot add entries of different length')
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for i,vv in enumerate(np.array(v)):
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m[i][0][k] = vv.item() if isinstance(vv,np.generic) else vv
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else:
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for i in range(N_material):
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m[i][0][k] = v
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return m
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else:
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raise NotImplementedError
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@ -122,7 +122,7 @@ class Grid:
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@size.setter
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def size(self,size):
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if len(size) != 3 or any(np.array(size) <= 0):
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if len(size) != 3 or any(np.array(size) < 0):
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raise ValueError(f'invalid size {size}')
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else:
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self._size = np.array(size)
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@ -303,7 +303,7 @@ class Grid:
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Need to be ordered (1./x fast, 3./z slow).
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labels : str or list of str
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Label(s) of the columns containing the material definition.
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Each unique combintation of values results in one material ID.
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Each unique combination of values results in one material ID.
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"""
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cells,size,origin = grid_filters.cellsSizeOrigin_coordinates0_point(table.get(coordinates))
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@ -5,6 +5,7 @@ import numpy as np
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from damask import ConfigMaterial
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from damask import Table
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from damask import Rotation
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@pytest.fixture
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def ref_path(ref_path_base):
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@ -85,42 +86,26 @@ 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])),np.ones(N*2),np.zeros(N*2),np.ones(N*2))).T
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t = Table(a,{'varying':2,'constant':2})
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c = ConfigMaterial.from_table(t,constituents={'a':'varying','b':'1_constant'},c='2_constant')
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a = np.vstack((np.hstack((np.arange(N),np.arange(N)[::-1])),np.ones(N*2),np.zeros(N*2),np.ones(N*2),np.ones(N*2))).T
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print(a)
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t = Table(a,{'varying':1,'constant':4})
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c = ConfigMaterial.from_table(t,**{'phase':'varying','O':'constant','homogenization':'4_constant'})
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assert len(c['material']) == N
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for i,m in enumerate(c['material']):
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c = m['constituents'][0]
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assert m['c'] == 1 and c['b'] == 0 and (c['a'] == [i,1]).all()
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assert m['homogenization'] == 1 and (m['constituents'][0]['O'] == [1,0,1,1]).all()
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def test_constituents(self):
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c = ConfigMaterial._constituents(c=1,v=[2,3])
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assert c[0][0]['c'] == c[1][0]['c'] == 1
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assert c[0][0]['v'] == c[1][0]['v'] -1 ==2
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@pytest.mark.parametrize('constituents',[{'W':1,'X':[2,3]},{'Y':4},{'Z':[5,6]}])
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@pytest.mark.parametrize('a',[[7.,8.],9.])
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@pytest.mark.parametrize('b',['bd',['efg','hi']])
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def test_material_add(self,tmp_path,constituents,a,b):
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len_c = len(ConfigMaterial()._constituents(1,**constituents))
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len_a = len(a) if isinstance(a,list) else 1
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len_b = len(b) if isinstance(b,list) else 1
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m = ConfigMaterial().material_add(constituents,a=a,b=b)
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m.save()
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assert len(m['material']) == np.max([len_a,len_b,len_c])
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@pytest.mark.parametrize('constituents',[{'W':1,'X':np.array([2,3])},{'Y':4},{'Z':np.array([5,6])}])
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@pytest.mark.parametrize('a',[np.array([7,8]),9])
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def test_material_add_np(self,tmp_path,constituents,a):
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len_c = len(ConfigMaterial()._constituents(1,**constituents))
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len_a = len(a) if isinstance(a,np.ndarray) else 1
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m = ConfigMaterial().material_add(constituents,ld=a)
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m.save()
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assert len(m['material']) == np.max([len_a,len_c])
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@pytest.mark.parametrize('constituents',[{'X':np.array([2,3,4,5])},{'Y':4}])
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@pytest.mark.parametrize('a',[np.array([1,2,3]),[4,5,6]])
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@pytest.mark.parametrize('b',[np.array([6.,7.]),[8.,9.]])
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def test_material_add_invalid(self,constituents,a,b):
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with pytest.raises(ValueError):
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ConfigMaterial().material_add(constituents,a=a,u=b)
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@pytest.mark.parametrize('N,n,kw',[
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(1,1,{'phase':'Gold',
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'O':[1,0,0,0],
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'homogenization':'SX'}),
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(3,1,{'phase':'Gold',
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'O':Rotation.from_random(3),
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'homogenization':'SX'}),
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(2,3,{'phase':np.broadcast_to(['a','b','c'],(2,3)),
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'O':Rotation.from_random((2,3)),
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'homogenization':['SX','PX']}),
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])
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def test_material_add(self,kw,N,n):
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m = ConfigMaterial().material_add(**kw)
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assert len(m['material']) == N
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assert len(m['material'][0]['constituents']) == n
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