"""Miscellaneous helper functionality.""" import sys as _sys import datetime as _datetime import os as _os import subprocess as _subprocess import shlex as _shlex import re as _re import signal as _signal import fractions as _fractions from collections import abc as _abc from functools import reduce as _reduce, partial as _partial from typing import Callable as _Callable, Union as _Union, Iterable as _Iterable, Sequence as _Sequence, Dict as _Dict, \ List as _List, Tuple as _Tuple, Literal as _Literal, Any as _Any, Collection as _Collection, TextIO as _TextIO from pathlib import Path as _Path import numpy as _np import h5py as _h5py from . import version as _version from ._typehints import FloatSequence as _FloatSequence, NumpyRngSeed as _NumpyRngSeed, IntCollection as _IntCollection, \ FileHandle as _FileHandle # https://svn.blender.org/svnroot/bf-blender/trunk/blender/build_files/scons/tools/bcolors.py # https://stackoverflow.com/questions/287871 _colors = { 'header' : '\033[95m', 'OK_blue': '\033[94m', 'OK_green': '\033[92m', 'warning': '\033[93m', 'fail': '\033[91m', 'end_color': '\033[0m', 'bold': '\033[1m', 'dim': '\033[2m', 'underline': '\033[4m', 'crossout': '\033[9m' } #################################################################################################### # Functions #################################################################################################### def srepr(msg, glue: str = '\n') -> str: r""" Join items with glue string. Parameters ---------- msg : object with __repr__ or sequence of objects with __repr__ Items to join. glue : str, optional Glue used for joining operation. Defaults to '\n'. Returns ------- joined : str String representation of the joined items. """ if (not hasattr(msg, 'strip') and (hasattr(msg, '__getitem__') or hasattr(msg, '__iter__'))): return glue.join(str(x) for x in msg) else: return msg if isinstance(msg,str) else repr(msg) def emph(msg) -> str: """ Format with emphasis. Parameters ---------- msg : object with __repr__ or sequence of objects with __repr__ Message to format. Returns ------- formatted : str Formatted string representation of the joined items. """ return _colors['bold']+srepr(msg)+_colors['end_color'] def deemph(msg) -> str: """ Format with deemphasis. Parameters ---------- msg : object with __repr__ or sequence of objects with __repr__ Message to format. Returns ------- formatted : str Formatted string representation of the joined items. """ return _colors['dim']+srepr(msg)+_colors['end_color'] def warn(msg) -> str: """ Format for warning. Parameters ---------- msg : object with __repr__ or sequence of objects with __repr__ Message to format. Returns ------- formatted : str Formatted string representation of the joined items. """ return _colors['warning']+emph(msg)+_colors['end_color'] def strikeout(msg) -> str: """ Format as strikeout. Parameters ---------- msg : object with __repr__ or iterable of objects with __repr__ Message to format. Returns ------- formatted : str Formatted string representation of the joined items. """ return _colors['crossout']+srepr(msg)+_colors['end_color'] def run(cmd: str, wd: str = './', env: _Dict[str, str] = None, timeout: int = None) -> _Tuple[str, str]: """ Run a command. Parameters ---------- cmd : str Command to be executed. wd : str, optional Working directory of process. Defaults to './'. env : dict, optional Environment for execution. timeout : integer, optional Timeout in seconds. Returns ------- stdout, stderr : (str, str) Output of the executed command. """ def pass_signal(sig,_,proc,default): proc.send_signal(sig) _signal.signal(sig,default) _signal.raise_signal(sig) signals = [_signal.SIGINT,_signal.SIGTERM] print(f"running '{cmd}' in '{wd}'") process = _subprocess.Popen(_shlex.split(cmd), stdout = _subprocess.PIPE, stderr = _subprocess.PIPE, env = _os.environ if env is None else env, cwd = wd, encoding = 'utf-8') # ensure that process is terminated (https://stackoverflow.com/questions/22916783) sig_states = [_signal.signal(sig,_partial(pass_signal,proc=process,default=_signal.getsignal(sig))) for sig in signals] try: stdout,stderr = process.communicate(timeout=timeout) finally: for sig,state in zip(signals,sig_states): _signal.signal(sig,state) if process.returncode != 0: print(stdout) print(stderr) raise RuntimeError(f"'{cmd}' failed with returncode {process.returncode}") return stdout, stderr def open_text(fname: _FileHandle, mode: _Literal['r','w'] = 'r') -> _TextIO: # noqa """ Open a text file. Parameters ---------- fname : file, str, or pathlib.Path Name or handle of file. mode: {'r','w'}, optional Access mode: 'r'ead or 'w'rite, defaults to 'r'. Returns ------- f : file handle """ return fname if not isinstance(fname, (str,_Path)) else \ open(_Path(fname).expanduser(),mode,newline=('\n' if mode == 'w' else None)) def natural_sort(key: str) -> _List[_Union[int, str]]: """ Natural sort. For use in python's 'sorted'. References ---------- https://en.wikipedia.org/wiki/Natural_sort_order """ convert = lambda text: int(text) if text.isdigit() else text return [ convert(c) for c in _re.split('([0-9]+)', key) ] def show_progress(iterable: _Iterable, N_iter: int = None, prefix: str = '', bar_length: int = 50) -> _Any: """ Decorate a loop with a progress bar. Use similar like enumerate. Parameters ---------- iterable : iterable Iterable to be decorated. N_iter : int, optional Total number of iterations. Required if iterable is not a sequence. prefix : str, optional Prefix string. bar_length : int, optional Length of progress bar in characters. Defaults to 50. """ if isinstance(iterable,_abc.Sequence): if N_iter is None: N = len(iterable) else: raise ValueError('N_iter given for sequence') else: if N_iter is None: raise ValueError('N_iter not given') N = N_iter if N <= 1: for item in iterable: yield item else: status = ProgressBar(N,prefix,bar_length) for i,item in enumerate(iterable): yield item status.update(i) def scale_to_coprime(v: _FloatSequence) -> _np.ndarray: """ Scale vector to co-prime (relatively prime) integers. Parameters ---------- v : sequence of float, len (:) Vector to scale. Returns ------- m : numpy.ndarray, shape (:) Vector scaled to co-prime numbers. """ MAX_DENOMINATOR = 1000000 def get_square_denominator(x): """Denominator of the square of a number.""" return _fractions.Fraction(x ** 2).limit_denominator(MAX_DENOMINATOR).denominator def lcm(a,b): """Least common multiple.""" try: return _np.lcm(a,b) # numpy > 1.18 except AttributeError: return a * b // _np.gcd(a, b) v_ = _np.array(v) m = (v_ * _reduce(lcm, map(lambda x: int(get_square_denominator(x)),v_))**0.5).astype(_np.int64) m = m//_reduce(_np.gcd,m) with _np.errstate(invalid='ignore'): if not _np.allclose(_np.ma.masked_invalid(v_/m),v_[_np.argmax(abs(v_))]/m[_np.argmax(abs(v_))]): raise ValueError(f'invalid result "{m}" for input "{v_}"') return m def project_equal_angle(vector: _np.ndarray, direction: _Literal['x', 'y', 'z'] = 'z', # noqa normalize: bool = True, keepdims: bool = False) -> _np.ndarray: """ Apply equal-angle projection to vector. Parameters ---------- vector : numpy.ndarray, shape (...,3) Vector coordinates to be projected. direction : {'x', 'y', 'z'} Projection direction. Defaults to 'z'. normalize : bool Ensure unit length of input vector. Defaults to True. keepdims : bool Maintain three-dimensional output coordinates. Defaults to False. Returns ------- coordinates : numpy.ndarray, shape (...,2 | 3) Projected coordinates. Notes ----- Two-dimensional output uses right-handed frame spanned by the next and next-next axis relative to the projection direction, e.g. x-y when projecting along z and z-x when projecting along y. Examples -------- >>> import damask >>> import numpy as np >>> project_equal_angle(np.ones(3)) [0.3660254, 0.3660254] >>> project_equal_angle(np.ones(3),direction='x',normalize=False,keepdims=True) [0, 0.5, 0.5] >>> project_equal_angle([0,1,1],direction='y',normalize=True,keepdims=False) [0.41421356, 0] """ shift = 'zyx'.index(direction) v = _np.roll(vector/_np.linalg.norm(vector,axis=-1,keepdims=True) if normalize else vector, shift,axis=-1) return _np.roll(_np.block([v[...,:2]/(1.0+_np.abs(v[...,2:3])),_np.zeros_like(v[...,2:3])]), -shift if keepdims else 0,axis=-1)[...,:3 if keepdims else 2] def project_equal_area(vector: _np.ndarray, direction: _Literal['x', 'y', 'z'] = 'z', # noqa normalize: bool = True, keepdims: bool = False) -> _np.ndarray: """ Apply equal-area projection to vector. Parameters ---------- vector : numpy.ndarray, shape (...,3) Vector coordinates to be projected. direction : {'x', 'y', 'z'} Projection direction. Defaults to 'z'. normalize : bool Ensure unit length of input vector. Defaults to True. keepdims : bool Maintain three-dimensional output coordinates. Defaults to False. Returns ------- coordinates : numpy.ndarray, shape (...,2 | 3) Projected coordinates. Notes ----- Two-dimensional output uses right-handed frame spanned by the next and next-next axis relative to the projection direction, e.g. x-y when projecting along z and z-x when projecting along y. Examples -------- >>> import damask >>> import numpy as np >>> project_equal_area(np.ones(3)) [0.45970084, 0.45970084] >>> project_equal_area(np.ones(3),direction='x',normalize=False,keepdims=True) [0.0, 0.70710678, 0.70710678] >>> project_equal_area([0,1,1],direction='y',normalize=True,keepdims=False) [0.5411961, 0.0] """ shift = 'zyx'.index(direction) v = _np.roll(vector/_np.linalg.norm(vector,axis=-1,keepdims=True) if normalize else vector, shift,axis=-1) return _np.roll(_np.block([v[...,:2]/_np.sqrt(1.0+_np.abs(v[...,2:3])),_np.zeros_like(v[...,2:3])]), -shift if keepdims else 0,axis=-1)[...,:3 if keepdims else 2] def execution_stamp(class_name: str, function_name: str = None) -> str: """Timestamp the execution of a (function within a) class.""" now = _datetime.datetime.now().astimezone().strftime('%Y-%m-%d %H:%M:%S%z') _function_name = '' if function_name is None else f'.{function_name}' return f'damask.{class_name}{_function_name} v{_version} ({now})' def hybrid_IA(dist: _np.ndarray, N: int, rng_seed: _NumpyRngSeed = None) -> _np.ndarray: """ Hybrid integer approximation. Parameters ---------- dist : numpy.ndarray Distribution to be approximated N : int Number of samples to draw. rng_seed : {None, int, array_like[ints], SeedSequence, BitGenerator, Generator}, optional A seed to initialize the BitGenerator. Defaults to None. If None, then fresh, unpredictable entropy will be pulled from the OS. """ N_opt_samples,N_inv_samples = (max(_np.count_nonzero(dist),N),0) # random subsampling if too little samples requested scale_,scale,inc_factor = (0.0,float(N_opt_samples),1.0) while (not _np.isclose(scale, scale_)) and (N_inv_samples != N_opt_samples): repeats = _np.rint(scale*dist).astype(_np.int64) N_inv_samples = _np.sum(repeats) scale_,scale,inc_factor = (scale,scale+inc_factor*0.5*(scale - scale_), inc_factor*2.0) \ if N_inv_samples < N_opt_samples else \ (scale_,0.5*(scale_ + scale), 1.0) return _np.repeat(_np.arange(len(dist)),repeats)[_np.random.default_rng(rng_seed).permutation(N_inv_samples)[:N]] def shapeshifter(fro: _Tuple[int, ...], to: _Tuple[int, ...], mode: _Literal['left','right'] = 'left', # noqa keep_ones: bool = False) -> _Tuple[int, ...]: """ Return dimensions that reshape 'fro' to become broadcastable to 'to'. Parameters ---------- fro : tuple Original shape of array. to : tuple Target shape of array after broadcasting. len(to) cannot be less than len(fro). mode : {'left', 'right'}, optional Indicates whether new axes are preferably added to either left or right of the original shape. Defaults to 'left'. keep_ones : bool, optional Treat '1' in fro as literal value instead of dimensional placeholder. Defaults to False. Returns ------- new_dims : tuple Dimensions for reshape. Examples -------- >>> import numpy as np >>> from damask import util >>> a = np.ones((3,4,2)) >>> b = np.ones(4) >>> b_extended = b.reshape(util.shapeshifter(b.shape,a.shape)) >>> (a * np.broadcast_to(b_extended,a.shape)).shape (3,4,2) """ if len(fro) == 0 and len(to) == 0: return () beg = dict(left ='(^.*\\b)', right='(^.*?\\b)') sep = dict(left ='(.*\\b)', right='(.*?\\b)') end = dict(left ='(.*?$)', right='(.*$)') fro = (1,) if len(fro) == 0 else fro to = (1,) if len(to) == 0 else to try: match = _re.match(beg[mode] +f',{sep[mode]}'.join(map(lambda x: f'{x}' if x>1 or (keep_ones and len(fro)>1) else '\\d+',fro)) +f',{end[mode]}',','.join(map(str,to))+',') assert match grp = match.groups() except AssertionError: raise ValueError(f'shapes cannot be shifted {fro} --> {to}') fill: _Any = () for g,d in zip(grp,fro+(None,)): fill += (1,)*g.count(',')+(d,) return fill[:-1] def shapeblender(a: _Tuple[int, ...], b: _Tuple[int, ...]) -> _Tuple[int, ...]: """ Return a shape that overlaps the rightmost entries of 'a' with the leftmost of 'b'. Parameters ---------- a : tuple Shape of first array. b : tuple Shape of second array. Examples -------- >>> shapeblender((4,4,3),(3,2,1)) (4,4,3,2,1) >>> shapeblender((1,2),(1,2,3)) (1,2,3) >>> shapeblender((1,),(2,2,1)) (1,2,2,1) >>> shapeblender((3,2),(3,2)) (3,2) """ i = min(len(a),len(b)) while i > 0 and a[-i:] != b[:i]: i -= 1 return a + b[i:] def extend_docstring(extra_docstring: str) -> _Callable: """ Decorator: Append to function's docstring. Parameters ---------- extra_docstring : str Docstring to append. """ def _decorator(func): func.__doc__ += extra_docstring return func return _decorator def extended_docstring(f: _Callable, extra_docstring: str) -> _Callable: """ Decorator: Combine another function's docstring with a given docstring. Parameters ---------- f : function Function of which the docstring is taken. extra_docstring : str Docstring to append. """ def _decorator(func): func.__doc__ = f.__doc__ + extra_docstring return func return _decorator def DREAM3D_base_group(fname: _Union[str, _Path]) -> str: """ Determine the base group of a DREAM.3D file. The base group is defined as the group (folder) that contains a 'SPACING' dataset in a '_SIMPL_GEOMETRY' group. Parameters ---------- fname : str or pathlib.Path Filename of the DREAM.3D (HDF5) file. Returns ------- path : str Path to the base group. """ with _h5py.File(_Path(fname).expanduser(),'r') as f: base_group = f.visit(lambda path: path.rsplit('/',2)[0] if '_SIMPL_GEOMETRY/SPACING' in path else None) if base_group is None: raise ValueError(f'could not determine base group in file "{fname}"') return base_group def DREAM3D_cell_data_group(fname: _Union[str, _Path]) -> str: """ Determine the cell data group of a DREAM.3D file. The cell data group is defined as the group (folder) that contains a dataset in the base group whose length matches the total number of points as specified in '_SIMPL_GEOMETRY/DIMENSIONS'. Parameters ---------- fname : str or pathlib.Path Filename of the DREAM.3D (HDF5) file. Returns ------- path : str Path to the cell data group. """ base_group = DREAM3D_base_group(fname) with _h5py.File(_Path(fname).expanduser(),'r') as f: cells = tuple(f['/'.join([base_group,'_SIMPL_GEOMETRY','DIMENSIONS'])][()][::-1]) cell_data_group = f[base_group].visititems(lambda path,obj: path.split('/')[0] \ if isinstance(obj,_h5py._hl.dataset.Dataset) and _np.shape(obj)[:-1] == cells \ else None) if cell_data_group is None: raise ValueError(f'could not determine cell-data group in file "{fname}/{base_group}"') return cell_data_group def Bravais_to_Miller(*, uvtw: _np.ndarray = None, hkil: _np.ndarray = None) -> _np.ndarray: """ Transform 4 Miller–Bravais indices to 3 Miller indices of crystal direction [uvw] or plane normal (hkl). Parameters ---------- uvtw|hkil : numpy.ndarray, shape (...,4) Miller–Bravais indices of crystallographic direction [uvtw] or plane normal (hkil). Returns ------- uvw|hkl : numpy.ndarray, shape (...,3) Miller indices of [uvw] direction or (hkl) plane normal. """ if (uvtw is not None) ^ (hkil is None): raise KeyError('specify either "uvtw" or "hkil"') axis,basis = (_np.array(uvtw),_np.array([[1,0,-1,0], [0,1,-1,0], [0,0, 0,1]])) \ if hkil is None else \ (_np.array(hkil),_np.array([[1,0,0,0], [0,1,0,0], [0,0,0,1]])) return _np.einsum('il,...l',basis,axis) def Miller_to_Bravais(*, uvw: _np.ndarray = None, hkl: _np.ndarray = None) -> _np.ndarray: """ Transform 3 Miller indices to 4 Miller–Bravais indices of crystal direction [uvtw] or plane normal (hkil). Parameters ---------- uvw|hkl : numpy.ndarray, shape (...,3) Miller indices of crystallographic direction [uvw] or plane normal (hkl). Returns ------- uvtw|hkil : numpy.ndarray, shape (...,4) Miller–Bravais indices of [uvtw] direction or (hkil) plane normal. """ if (uvw is not None) ^ (hkl is None): raise KeyError('specify either "uvw" or "hkl"') axis,basis = (_np.array(uvw),_np.array([[ 2,-1, 0], [-1, 2, 0], [-1,-1, 0], [ 0, 0, 3]])/3) \ if hkl is None else \ (_np.array(hkl),_np.array([[ 1, 0, 0], [ 0, 1, 0], [-1,-1, 0], [ 0, 0, 1]])) return _np.einsum('il,...l',basis,axis) def dict_prune(d: _Dict) -> _Dict: """ Recursively remove empty dictionaries. Parameters ---------- d : dict Dictionary to prune. Returns ------- pruned : dict Pruned dictionary. """ # https://stackoverflow.com/questions/48151953 new = {} for k,v in d.items(): if isinstance(v, dict): v = dict_prune(v) if not isinstance(v,dict) or v != {}: new[k] = v return new def dict_flatten(d: _Dict) -> _Dict: """ Recursively remove keys of single-entry dictionaries. Parameters ---------- d : dict Dictionary to flatten. Returns ------- flattened : dict Flattened dictionary. """ if isinstance(d,dict) and len(d) == 1: entry = d[list(d.keys())[0]] new = dict_flatten(entry.copy()) if isinstance(entry,dict) else entry else: new = {k: (dict_flatten(v) if isinstance(v, dict) else v) for k,v in d.items()} return new def tail_repack(extended: _Union[str, _Sequence[str]], existing: _List[str] = []) -> _List[str]: """ Repack tailing characters into single string if all are new. Parameters ---------- extended : str or list of str Extended string list with potentially autosplitted tailing string relative to `existing`. existing : list of str Base string list. Returns ------- repacked : list of str Repacked version of `extended`. Examples -------- >>> tail_repack(['a','new','e','n','t','r','y'],['a','new']) ['a','new','entry'] >>> tail_repack(['a','new','shiny','e','n','t','r','y'],['a','new']) ['a','new','shiny','e','n','t','r','y'] """ return [extended] if isinstance(extended,str) else existing + \ ([''.join(extended[len(existing):])] if _np.prod([len(i) for i in extended[len(existing):]]) == 1 else list(extended[len(existing):])) def aslist(arg: _Union[_IntCollection, int, None]) -> _List: """ Transform argument to list. Parameters ---------- arg : int or collection of int or None Entity to transform into list. Returns ------- transformed : list Entity transformed into list. """ return [] if arg is None else list(arg) if isinstance(arg,(_np.ndarray,_Collection)) else [arg] #################################################################################################### # Classes #################################################################################################### class ProgressBar: """ Report progress of an interation as a status bar. Works for 0-based loops, ETA is estimated by linear extrapolation. """ def __init__(self, total: int, prefix: str, bar_length: int): """ Set current time as basis for ETA estimation. Parameters ---------- total : int Total # of iterations. prefix : str Prefix string. bar_length : int Character length of bar. """ self.total = total self.prefix = prefix self.bar_length = bar_length self.time_start = self.time_last_update = _datetime.datetime.now() self.fraction_last = 0.0 _sys.stderr.write(f"{self.prefix} {'░'*self.bar_length} 0% ETA n/a") _sys.stderr.flush() def update(self, iteration: int) -> None: fraction = (iteration+1) / self.total if (filled_length := int(self.bar_length * fraction)) > int(self.bar_length * self.fraction_last) or \ _datetime.datetime.now() - self.time_last_update > _datetime.timedelta(seconds=10): self.time_last_update = _datetime.datetime.now() bar = '█' * filled_length + '░' * (self.bar_length - filled_length) remaining_time = (_datetime.datetime.now() - self.time_start) \ * (self.total - (iteration+1)) / (iteration+1) remaining_time -= _datetime.timedelta(microseconds=remaining_time.microseconds) # remove μs _sys.stderr.write(f'\r{self.prefix} {bar} {fraction:>4.0%} ETA {remaining_time}') _sys.stderr.flush() self.fraction_last = fraction if iteration == self.total - 1: _sys.stderr.write('\n') _sys.stderr.flush()