223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Merge branch 'YAML-class-improvements' into 'development' 

some improvements to the YAML-related classes in Python

See merge request damask/DAMASK!710
This commit is contained in:
Daniel Otto de Mentock 2023-01-31 17:42:34 +00:00
parent 1326303b70 ce6c86dd6d
commit 750a0443ad
4 changed files with 52 additions and 39 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

24
python/damask/_config.py
View File

@ -43,7 +43,7 @@ class NiceDumper(SafeDumper):
return self.represent_data(data.tolist())
if isinstance(data, Rotation):
return self.represent_data(data.quaternion.tolist())
if hasattr(data, 'dtype'):
if isinstance(data, np.generic):
return self.represent_data(data.item())
return super().represent_data(data)
@ -57,13 +57,23 @@ class Config(dict):
"""YAML-based configuration."""
def __init__(self,
yml: Union[None, str, Dict[str, Any]] = None,
config: Optional[Union[str, Dict[str, Any]]] = None,
**kwargs):
"""Initialize from YAML, dict, or key=value pairs."""
if isinstance(yml,str):
kwargs.update(yaml.load(yml, Loader=SafeLoader))
elif isinstance(yml,dict):
kwargs.update(yml)
"""
New YAML-based configuration.
Parameters
----------
config : dict or str, optional
Configuration. String needs to be valid YAML.
**kwargs: arbitray keyword-value pairs, optional
Top level entries of the configuration.
"""
if isinstance(config,str):
kwargs.update(yaml.load(config, Loader=SafeLoader))
elif isinstance(config,dict):
kwargs.update(config)
super().__init__(**kwargs)

64
python/damask/_configmaterial.py
View File

@ -1,8 +1,9 @@
import numpy as np
import h5py
from typing import Optional, Union, Sequence, Dict, Any, Collection
from ._typehints import FileHandle
import numpy as np
import h5py
from ._typehints import FileHandle, FloatSequence, StrSequence
from . import Config
from . import Rotation
from . import Orientation
@ -22,33 +23,34 @@ class ConfigMaterial(Config):
"""
def __init__(self,
d: Optional[Dict[str, Any]] = None,
config: Optional[Dict[str, Any]] = None,
**kwargs):
"""
New material configuration.
Parameters
----------
d : dictionary or YAML string, optional
Initial content. Defaults to None, in which case empty entries for
config : dict or str, optional
Material configuration. String needs to be valid YAML.
Defaults to None, in which case empty entries for
any missing material, homogenization, and phase entry are created.
kwargs : key=value pairs, optional
Initial content specified as pairs of key=value.
"""
default: Collection
if d is None:
if config is None:
for section, default in {'material':[],'homogenization':{},'phase':{}}.items():
if section not in kwargs: kwargs.update({section:default})
super().__init__(d,**kwargs)
super().__init__(config,**kwargs)
def save(self,
fname: FileHandle = 'material.yaml',
**kwargs):
"""
Save to yaml file.
Save to YAML file.
Parameters
----------
@ -65,7 +67,7 @@ class ConfigMaterial(Config):
def load(cls,
fname: FileHandle = 'material.yaml') -> 'ConfigMaterial':
"""
Load from yaml file.
Load from YAML file.
Parameters
----------
@ -361,7 +363,7 @@ class ConfigMaterial(Config):
Parameters
----------
mapping: dictionary
mapping: dict
Mapping from old name to new name
ID: list of ints, optional
Limit renaming to selected material IDs.
@ -394,7 +396,7 @@ class ConfigMaterial(Config):
Parameters
----------
mapping: dictionary
mapping: dict
Mapping from old name to new name
ID: list of ints, optional
Limit renaming to selected homogenization IDs.
@ -416,11 +418,11 @@ class ConfigMaterial(Config):
def material_add(self,*,
homogenization: Any = None,
phase: Any = None,
v: Any = None,
O: Any = None,
V_e: Any = None) -> 'ConfigMaterial':
homogenization: Optional[Union[str,StrSequence]] = None,
phase: Optional[Union[str,StrSequence]] = None,
v: Optional[Union[float,FloatSequence]] = None,
O: Optional[Union[float,FloatSequence]] = None,
V_e: Optional[Union[float,FloatSequence]] = None) -> 'ConfigMaterial':
"""
Add material entries.
@ -432,6 +434,7 @@ class ConfigMaterial(Config):
Phase label (per constituent).
v: (array-like) of float, optional
Constituent volume fraction (per constituent).
Defaults to 1/N_constituents
O: (array-like) of damask.Rotation or np.array/list of shape(4), optional
Orientation as unit quaternion (per constituent).
V_e: (array-like) of np.array/list of shape(3,3), optional
@ -444,9 +447,8 @@ class ConfigMaterial(Config):
Notes
-----
First index of array-like values that are defined per
consituent runs over materials, whereas second index runs
over constituents.
First index of array-like values that are defined per constituent
runs over materials, whereas second index runs over constituents.
Examples
--------
@ -533,32 +535,32 @@ class ConfigMaterial(Config):
_dim = {'O':(4,),'V_e':(3,3,)}
_ex = dict((k, -len(v)) for k, v in _dim.items())
N,n = 1,1
N_materials,N_constituents = 1,1
shaped : Dict[str, Union[None,np.ndarray]] = \
{'v': None,
'phase': None,
'homogenization': None,
}
for k,v in kwargs.items():
shaped[k] = np.array(v)
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
for arg,value in kwargs.items():
shaped[arg] = np.array(value)
s = shaped[arg].shape[:_ex.get(arg,None)] # type: ignore
N_materials = max(N_materials,s[0]) if len(s)>0 else N_materials
N_constituents = max(N_constituents,s[1]) if len(s)>1 else N_constituents
shaped['v'] = np.array(1./n) if shaped['v'] is None else shaped['v']
shaped['v'] = np.array(1./N_constituents) 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_constituents)]} for _ in range(N_materials)]
for k,v in shaped.items():
target = (N,n) + _dim.get(k,())
target = (N_materials,N_constituents) + _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):
for i in range(N_materials):
if k in _constituent_properties:
for j in range(n):
for j in range(N_constituents):
mat[i]['constituents'][j][k] = obj[i,j].item() if isinstance(obj[i,j],np.generic) else obj[i,j]
else:
mat[i][k] = obj[i,0].item() if isinstance(obj[i,0],np.generic) else obj[i,0]

1
python/damask/_typehints.py
View File

@ -8,6 +8,7 @@ import numpy as np
FloatSequence = Union[np.ndarray,Sequence[float]]
IntSequence = Union[np.ndarray,Sequence[int]]
StrSequence = Union[np.ndarray,Sequence[str]]
FileHandle = Union[TextIO, str, Path]
CrystalFamily = Union[None,Literal['triclinic', 'monoclinic', 'orthorhombic', 'tetragonal', 'hexagonal', 'cubic']]
CrystalLattice = Union[None,Literal['aP', 'mP', 'mS', 'oP', 'oS', 'oI', 'oF', 'tP', 'tI', 'hP', 'cP', 'cI', 'cF']]

2
python/damask/util.py
View File

@ -800,7 +800,7 @@ class ProgressBar:
prefix: str,
bar_length: int):
"""
Set current time as basis for ETA estimation.
New progress bar.
Parameters
----------