Merge branch 'development' into Fortran-simplifications
This commit is contained in:
Martin Diehl
commit
f26c3ca1ea
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@ -18,6 +18,7 @@ from ._lattice import Symmetry, Lattice# noqa
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from ._orientation import Orientation # noqa
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from ._result import Result # noqa
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from ._geom import Geom # noqa
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from ._material import Material # noqa
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from . import solver # noqa
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# deprecated
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@ -0,0 +1,193 @@
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from io import StringIO
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import copy
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import yaml
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import numpy as np
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from . import Lattice
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from . import Rotation
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class NiceDumper(yaml.SafeDumper):
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"""Make YAML readable for humans."""
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def write_line_break(self, data=None):
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super().write_line_break(data)
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if len(self.indents) == 1:
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super().write_line_break()
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def increase_indent(self, flow=False, indentless=False):
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return super().increase_indent(flow, False)
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class Material(dict):
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"""Material configuration."""
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def __repr__(self):
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"""Show as in file."""
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output = StringIO()
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self.save(output)
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output.seek(0)
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return ''.join(output.readlines())
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@staticmethod
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def load(fname):
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"""Load from yaml file."""
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try:
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fhandle = open(fname)
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except TypeError:
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fhandle = fname
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return Material(yaml.safe_load(fhandle))
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def save(self,fname='material.yaml'):
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"""
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Save to yaml file.
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Parameters
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----------
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fname : file, str, or pathlib.Path
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Filename or file for reading.
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"""
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try:
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fhandle = open(fname,'w')
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except TypeError:
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fhandle = fname
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fhandle.write(yaml.dump(dict(self),width=256,default_flow_style=None,Dumper=NiceDumper))
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@property
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def is_complete(self):
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"""Check for completeness."""
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ok = True
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for top_level in ['homogenization','phase','microstructure']:
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# ToDo: With python 3.8 as prerequisite we can shorten with :=
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ok &= top_level in self
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if top_level not in self: print(f'{top_level} entry missing')
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if ok:
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ok &= len(self['microstructure']) > 0
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if len(self['microstructure']) < 1: print('Incomplete microstructure definition')
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if ok:
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homogenization = set()
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phase = set()
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for i,v in enumerate(self['microstructure']):
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if 'homogenization' in v:
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homogenization.add(v['homogenization'])
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else:
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print(f'No homogenization specified in microstructure {i}')
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ok = False
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if 'constituents' in v:
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for ii,vv in enumerate(v['constituents']):
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if 'orientation' not in vv:
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print('No orientation specified in constituent {ii} of microstructure {i}')
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ok = False
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if 'phase' in vv:
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phase.add(vv['phase'])
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else:
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print(f'No phase specified in constituent {ii} of microstructure {i}')
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ok = False
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for k,v in self['phase'].items():
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if 'lattice' not in v:
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print(f'No lattice specified in phase {k}')
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ok = False
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#for k,v in self['homogenization'].items():
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# if 'N_constituents' not in v:
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# print(f'No. of constituents not specified in homogenization {k}'}
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# ok = False
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if phase - set(self['phase']):
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print(f'Phase(s) {phase-set(self["phase"])} missing')
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ok = False
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if homogenization - set(self['homogenization']):
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print(f'Homogenization(s) {homogenization-set(self["homogenization"])} missing')
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ok = False
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return ok
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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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ok = True
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if 'phase' in self:
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for k,v in self['phase'].items():
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if 'lattice' in v:
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try:
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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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ok = False
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if 'microstructure' in self:
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for i,v in enumerate(self['microstructure']):
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if 'constituents' in v:
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f = 0.0
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for c in v['constituents']:
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f+= float(c['fraction'])
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if 'orientation' in c:
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try:
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Rotation.from_quaternion(c['orientation'])
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except ValueError:
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o = c['orientation']
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print(f"Invalid orientation: '{o}' in microstructure '{i}'")
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ok = False
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if not np.isclose(f,1.0):
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print(f"Invalid total fraction '{f}' in microstructure '{i}'")
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ok = False
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return ok
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def microstructure_rename_phase(self,mapping,ID=None,constituent=None):
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"""
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Change phase name in microstructure.
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Parameters
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----------
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mapping: dictionary
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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 microstructure IDs.
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constituent: list of ints, optional
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Limit renaming to selected constituents.
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"""
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dup = copy.deepcopy(self)
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for i,m in enumerate(dup['microstructure']):
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if ID and i not in ID: continue
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for c in m['constituents']:
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if constituent is not None and c not in constituent: continue
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try:
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c['phase'] = mapping[c['phase']]
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except KeyError:
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continue
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return dup
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def microstructure_rename_homogenization(self,mapping,ID=None):
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"""
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Change homogenization name in microstructure.
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Parameters
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----------
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mapping: dictionary
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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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"""
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dup = copy.deepcopy(self)
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for i,m in enumerate(dup['microstructure']):
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if ID and i not in ID: continue
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try:
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m['homogenization'] = mapping[m['homogenization']]
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except KeyError:
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continue
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return dup
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@ -0,0 +1,42 @@
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homogenization:
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SX:
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mech: {type: none}
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Taylor:
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mech: {type: isostrain, N_constituents: 2}
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microstructure:
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- constituents:
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- fraction: 1.0
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orientation: [1.0, 0.0, 0.0, 0.0]
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phase: Aluminum
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homogenization: SX
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- constituents:
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- fraction: 1.0
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orientation: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
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phase: Aluminum
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homogenization: SX
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- constituents:
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- fraction: 1.0
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orientation: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
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phase: Aluminum
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homogenization: SX
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- homogenization: Taylor
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constituents:
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- fraction: .5
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orientation: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
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phase: Aluminum
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- fraction: .5
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orientation: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
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phase: Steel
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phase:
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Aluminum:
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elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
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generic:
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output: [F, P, Fe, Fp, Lp]
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lattice: fcc
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Steel:
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elasticity: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: hooke}
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generic:
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output: [F, P, Fe, Fp, Lp]
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lattice: bcc
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@ -0,0 +1,61 @@
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import os
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import pytest
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from damask import Material
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@pytest.fixture
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def reference_dir(reference_dir_base):
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"""Directory containing reference results."""
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return reference_dir_base/'Material'
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class TestMaterial:
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@pytest.mark.parametrize('fname',[None,'test.yaml'])
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def test_load_save(self,reference_dir,tmp_path,fname):
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reference = Material.load(reference_dir/'material.yaml')
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os.chdir(tmp_path)
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if fname is None:
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reference.save()
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new = Material.load('material.yaml')
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else:
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reference.save(fname)
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new = Material.load(fname)
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assert reference == new
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def test_valid_complete(self,reference_dir):
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material_config = Material.load(reference_dir/'material.yaml')
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assert material_config.is_valid and material_config.is_complete
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def test_invalid_lattice(self,reference_dir):
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material_config = Material.load(reference_dir/'material.yaml')
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material_config['phase']['Aluminum']['lattice']='fxc'
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assert not material_config.is_valid
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def test_invalid_orientation(self,reference_dir):
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material_config = Material.load(reference_dir/'material.yaml')
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material_config['microstructure'][0]['constituents'][0]['orientation']=[0,0,0,0]
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assert not material_config.is_valid
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def test_invalid_fraction(self,reference_dir):
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material_config = Material.load(reference_dir/'material.yaml')
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material_config['microstructure'][0]['constituents'][0]['fraction']=.9
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assert not material_config.is_valid
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@pytest.mark.parametrize('item',['homogenization','phase','microstructure'])
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def test_incomplete_missing(self,reference_dir,item):
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material_config = Material.load(reference_dir/'material.yaml')
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del material_config[item]
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assert not material_config.is_complete
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def test_incomplete_wrong_phase(self,reference_dir):
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material_config = Material.load(reference_dir/'material.yaml')
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new = material_config.microstructure_rename_phase({'Steel':'FeNbC'})
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assert not new.is_complete
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def test_incomplete_wrong_homogenization(self,reference_dir):
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material_config = Material.load(reference_dir/'material.yaml')
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new = material_config.microstructure_rename_homogenization({'Taylor':'isostrain'})
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assert not new.is_complete
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@ -265,9 +265,9 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
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print'(a,i2)', ' Coordinates: ', ncrd
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print'(a,i12)', ' Nodes: ', nnode
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print'(a,i1)', ' Deformation gradient: ', itel
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write(OUTPUT_UNIT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n:', &
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n:', &
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transpose(ffn)
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write(OUTPUT_UNIT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n+1:', &
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n+1:', &
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transpose(ffn1)
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endif
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@ -312,7 +312,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
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cycleCounter = -1 ! first calc step increments this to cycle = 0
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print'(a,i6,1x,i2)', '<< HYPELA2 >> cutback detected..! ',m(1),nn
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endif ! convergence treatment end
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flush(OUTPUT_UNIT)
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flush(6)
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if (lastLovl /= lovl) then
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cycleCounter = cycleCounter + 1
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