essentially same behavior as before,
but better documentation, a few simplifications, and typehints
This commit is contained in:
Martin Diehl
parent
d5a2173ba3
commit
ce6c86dd6d
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@ -43,7 +43,7 @@ class NiceDumper(SafeDumper):
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return self.represent_data(data.tolist())
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if isinstance(data, Rotation):
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return self.represent_data(data.quaternion.tolist())
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if hasattr(data, 'dtype'):
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if isinstance(data, np.generic):
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return self.represent_data(data.item())
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return super().represent_data(data)
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@ -57,13 +57,23 @@ class Config(dict):
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"""YAML-based configuration."""
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def __init__(self,
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yml: Union[None, str, Dict[str, Any]] = None,
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config: Optional[Union[str, Dict[str, Any]]] = None,
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**kwargs):
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"""Initialize from YAML, dict, or key=value pairs."""
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if isinstance(yml,str):
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kwargs.update(yaml.load(yml, Loader=SafeLoader))
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elif isinstance(yml,dict):
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kwargs.update(yml)
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"""
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New YAML-based configuration.
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Parameters
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----------
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config : dict or str, optional
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Configuration. String needs to be valid YAML.
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**kwargs: arbitray keyword-value pairs, optional
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Top level entries of the configuration.
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"""
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if isinstance(config,str):
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kwargs.update(yaml.load(config, Loader=SafeLoader))
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elif isinstance(config,dict):
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kwargs.update(config)
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super().__init__(**kwargs)
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@ -1,8 +1,9 @@
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import numpy as np
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import h5py
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from typing import Optional, Union, Sequence, Dict, Any, Collection
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from ._typehints import FileHandle
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import numpy as np
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import h5py
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from ._typehints import FileHandle, FloatSequence, StrSequence
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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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@ -22,33 +23,34 @@ class ConfigMaterial(Config):
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"""
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def __init__(self,
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d: Optional[Dict[str, Any]] = None,
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config: Optional[Dict[str, Any]] = None,
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**kwargs):
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"""
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New material configuration.
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Parameters
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----------
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d : dictionary or YAML string, optional
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Initial content. Defaults to None, in which case empty entries for
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config : dict or str, optional
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Material configuration. String needs to be valid YAML.
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Defaults to None, in which case empty entries for
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any missing material, homogenization, and phase entry are created.
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kwargs : key=value pairs, optional
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Initial content specified as pairs of key=value.
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"""
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default: Collection
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if d is None:
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if config is None:
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for section, default in {'material':[],'homogenization':{},'phase':{}}.items():
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if section not in kwargs: kwargs.update({section:default})
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super().__init__(d,**kwargs)
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super().__init__(config,**kwargs)
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def save(self,
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fname: FileHandle = 'material.yaml',
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**kwargs):
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"""
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Save to yaml file.
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Save to YAML file.
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Parameters
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----------
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@ -65,7 +67,7 @@ class ConfigMaterial(Config):
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def load(cls,
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fname: FileHandle = 'material.yaml') -> 'ConfigMaterial':
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"""
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Load from yaml file.
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Load from YAML file.
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Parameters
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----------
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@ -361,7 +363,7 @@ class ConfigMaterial(Config):
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Parameters
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----------
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mapping: dictionary
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mapping: dict
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Mapping from old name to new name
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ID: list of ints, optional
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Limit renaming to selected material IDs.
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@ -394,7 +396,7 @@ class ConfigMaterial(Config):
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Parameters
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----------
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mapping: dictionary
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mapping: dict
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Mapping from old name to new name
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ID: list of ints, optional
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Limit renaming to selected homogenization IDs.
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@ -416,11 +418,11 @@ class ConfigMaterial(Config):
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def material_add(self,*,
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homogenization: Any = None,
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phase: Any = None,
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v: Any = None,
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O: Any = None,
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V_e: Any = None) -> 'ConfigMaterial':
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homogenization: Optional[Union[str,StrSequence]] = None,
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phase: Optional[Union[str,StrSequence]] = None,
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v: Optional[Union[float,FloatSequence]] = None,
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O: Optional[Union[float,FloatSequence]] = None,
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V_e: Optional[Union[float,FloatSequence]] = None) -> 'ConfigMaterial':
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"""
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Add material entries.
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@ -432,6 +434,7 @@ 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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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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@ -444,9 +447,8 @@ class ConfigMaterial(Config):
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Notes
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-----
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First index of array-like values that are defined per
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consituent runs over materials, whereas second index runs
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over constituents.
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First index of array-like values that are defined per constituent
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runs over materials, whereas second index runs over constituents.
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Examples
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--------
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@ -533,32 +535,32 @@ class ConfigMaterial(Config):
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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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N,n = 1,1
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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 k,v in kwargs.items():
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shaped[k] = np.array(v)
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s = shaped[k].shape[:_ex.get(k,None)] # type: ignore
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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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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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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) if shaped['v'] is None else shaped['v']
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shaped['v'] = np.array(1./N_constituents) if shaped['v'] is None else shaped['v']
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mat: Sequence[dict] = [{'constituents':[{} for _ in range(n)]} for _ in range(N)]
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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,n) + _dim.get(k,())
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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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for i in range(N):
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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):
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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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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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@ -8,6 +8,7 @@ import numpy as np
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FloatSequence = Union[np.ndarray,Sequence[float]]
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IntSequence = Union[np.ndarray,Sequence[int]]
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StrSequence = Union[np.ndarray,Sequence[str]]
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FileHandle = Union[TextIO, str, Path]
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CrystalFamily = Union[None,Literal['triclinic', 'monoclinic', 'orthorhombic', 'tetragonal', 'hexagonal', 'cubic']]
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CrystalLattice = Union[None,Literal['aP', 'mP', 'mS', 'oP', 'oS', 'oI', 'oF', 'tP', 'tI', 'hP', 'cP', 'cI', 'cF']]
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@ -800,7 +800,7 @@ class ProgressBar:
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prefix: str,
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bar_length: int):
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"""
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Set current time as basis for ETA estimation.
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New progress bar.
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Parameters
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----------
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