DAMASK_EICMD/lib/damask/util.py

544 lines
21 KiB
Python

# -*- coding: UTF-8 no BOM -*-
# damask utility functions
import sys,time,random,threading,os,subprocess,shlex
import numpy as np
from optparse import Option
class bcolors:
"""
ASCII Colors (Blender code)
https://svn.blender.org/svnroot/bf-blender/trunk/blender/build_files/scons/tools/bcolors.py
http://stackoverflow.com/questions/287871/print-in-terminal-with-colors-using-python
"""
HEADER = '\033[95m'
OKBLUE = '\033[94m'
OKGREEN = '\033[92m'
WARNING = '\033[93m'
FAIL = '\033[91m'
ENDC = '\033[0m'
BOLD = '\033[1m'
UNDERLINE = '\033[4m'
def disable(self):
self.HEADER = ''
self.OKBLUE = ''
self.OKGREEN = ''
self.WARNING = ''
self.FAIL = ''
self.ENDC = ''
self.BOLD = ''
self.UNDERLINE = ''
# -----------------------------
def srepr(arg,glue = '\n'):
"""joins arguments as individual lines"""
if (not hasattr(arg, "strip") and
hasattr(arg, "__getitem__") or
hasattr(arg, "__iter__")):
return glue.join(srepr(x) for x in arg)
return arg if isinstance(arg,basestring) else repr(arg)
# -----------------------------
def croak(what, newline = True):
"""writes formated to stderr"""
sys.stderr.write(srepr(what,glue = '\n') + ('\n' if newline else ''))
sys.stderr.flush()
# -----------------------------
def report(who,what):
"""reports script and file name"""
croak( (emph(who) if who else '') + (': '+what if what else '') )
# -----------------------------
def emph(what):
"""emphasizes string on screen"""
return bcolors.BOLD+srepr(what)+bcolors.ENDC
# -----------------------------
def execute(cmd,
streamIn = None,
wd = './'):
"""executes a command in given directory and returns stdout and stderr for optional stdin"""
initialPath = os.getcwd()
os.chdir(wd)
process = subprocess.Popen(shlex.split(cmd),
stdout = subprocess.PIPE,
stderr = subprocess.PIPE,
stdin = subprocess.PIPE)
out,error = [i.replace("\x08","") for i in (process.communicate() if streamIn is None
else process.communicate(streamIn.read()))]
os.chdir(initialPath)
if process.returncode != 0: raise RuntimeError('{} failed with returncode {}'.format(cmd,process.returncode))
return out,error
# -----------------------------
# Matlab like trigonometric functions that take and return angles in degrees.
# -----------------------------
for f in ['cos', 'sin', 'tan']:
exec('def %sd(deg): return (np.%s(np.deg2rad(deg)))'%(f,f))
exec('def a%sd(val): return (np.rad2deg(np.arc%s(val)))'%(f,f))
# -----------------------------
def gridLocation(idx,res):
return ( idx % res[0], \
( idx // res[0]) % res[1], \
( idx // res[0] // res[1]) % res[2] )
# -----------------------------
def gridIndex(location,res):
return ( location[0] % res[0] + \
( location[1] % res[1]) * res[0] + \
( location[2] % res[2]) * res[1] * res[0] )
# -----------------------------
class extendableOption(Option):
"""
used for definition of new option parser action 'extend', which enables to take multiple option arguments
taken from online tutorial http://docs.python.org/library/optparse.html
"""
ACTIONS = Option.ACTIONS + ("extend",)
STORE_ACTIONS = Option.STORE_ACTIONS + ("extend",)
TYPED_ACTIONS = Option.TYPED_ACTIONS + ("extend",)
ALWAYS_TYPED_ACTIONS = Option.ALWAYS_TYPED_ACTIONS + ("extend",)
def take_action(self, action, dest, opt, value, values, parser):
if action == "extend":
lvalue = value.split(",")
values.ensure_value(dest, []).extend(lvalue)
else:
Option.take_action(self, action, dest, opt, value, values, parser)
# -----------------------------
class backgroundMessage(threading.Thread):
"""reporting with animation to indicate progress"""
choices = {'bounce': ['_', 'o', 'O', u'\u00B0',
u'\u203e',u'\u203e',u'\u00B0','O','o','_'],
'spin': [u'\u25dc',u'\u25dd',u'\u25de',u'\u25df'],
'circle': [u'\u25f4',u'\u25f5',u'\u25f6',u'\u25f7'],
'hexagon': [u'\u2b22',u'\u2b23'],
'square': [u'\u2596',u'\u2598',u'\u259d',u'\u2597'],
'triangle': [u'\u140a',u'\u140a',u'\u1403',u'\u1405',u'\u1405',u'\u1403'],
'amoeba': [u'\u2596',u'\u258f',u'\u2598',u'\u2594',u'\u259d',u'\u2595',
u'\u2597',u'\u2582'],
'beat': [u'\u2581',u'\u2582',u'\u2583',u'\u2585',u'\u2586',u'\u2587',
u'\u2587',u'\u2586',u'\u2585',u'\u2583',u'\u2582',],
'prison': [u'\u168b',u'\u168c',u'\u168d',u'\u168f',u'\u168e',u'\u168d',
u'\u168c',u'\u168b',],
'breath': [u'\u1690',u'\u1691',u'\u1692',u'\u1693',u'\u1694',u'\u1693',
u'\u1692',u'\u1691',u'\u1690',],
'pulse': [u'·',u'',u'\u25cf',u'\u25cf',u'',],
'ant': [u'\u2801',u'\u2802',u'\u2810',u'\u2820',u'\u2804',u'\u2840',
u'\u2880',u'\u2820',u'\u2804',u'\u2802',u'\u2810',u'\u2808'],
'juggle': [u'\ua708',u'\ua709',u'\ua70a',u'\ua70b',u'\ua70c',u'\ua711',
u'\ua710',u'\ua70f',u'\ua70d',],
# 'wobbler': [u'\u2581',u'\u25e3',u'\u258f',u'\u25e4',u'\u2594',u'\u25e5',u'\u2595',u'\u25e2',],
'grout': [u'\u2581',u'\u258f',u'\u2594',u'\u2595',],
'partner': [u'\u26ac',u'\u26ad',u'\u26ae',u'\u26af',u'\u26ae',u'\u26ad',],
'classic': ['-', '\\', '|', '/',],
}
def __init__(self,symbol = None,wait = 0.1):
"""sets animation symbol"""
super(backgroundMessage, self).__init__()
self._stop = threading.Event()
self.message = ''
self.new_message = ''
self.counter = 0
self.gap = ' '
self.symbols = self.choices[symbol if symbol in self.choices else random.choice(self.choices.keys())]
self.waittime = wait
def __quit__(self):
"""cleans output"""
length = len(self.symbols[self.counter] + self.gap + self.message)
sys.stderr.write(chr(8)*length + ' '*length + chr(8)*length)
sys.stderr.write('')
sys.stderr.flush()
def stop(self):
self._stop.set()
def stopped(self):
return self._stop.is_set()
def run(self):
while not threading.enumerate()[0]._Thread__stopped:
time.sleep(self.waittime)
self.update_message()
self.__quit__()
def set_message(self, new_message):
self.new_message = new_message
self.print_message()
def print_message(self):
length = len(self.symbols[self.counter] + self.gap + self.message)
sys.stderr.write(chr(8)*length + ' '*length + chr(8)*length + \
self.symbols[self.counter].encode('utf-8') + self.gap + self.new_message) # delete former and print new message
sys.stderr.flush()
self.message = self.new_message
def update_message(self):
self.counter = (self.counter + 1)%len(self.symbols)
self.print_message()
def animation(self,which = None):
return ''.join(self.choices[which]) if which in self.choices else ''
def leastsqBound(func, x0, args=(), bounds=None, Dfun=None, full_output=0,
col_deriv=0, ftol=1.49012e-8, xtol=1.49012e-8,
gtol=0.0, maxfev=0, epsfcn=None, factor=100, diag=None):
from scipy.optimize import _minpack
"""
Non-linear least square fitting (Levenberg-Marquardt method) with
bounded parameters.
the codes of transformation between int <-> ext refers to the work of
Jonathan J. Helmus: https://github.com/jjhelmus/leastsqbound-scipy
other codes refers to the source code of minpack.py:
..\Lib\site-packages\scipy\optimize\minpack.py
An internal parameter list is used to enforce contraints on the fitting
parameters. The transfomation is based on that of MINUIT package.
please see: F. James and M. Winkler. MINUIT User's Guide, 2004.
bounds : list
(min, max) pairs for each parameter, use None for 'min' or 'max'
when there is no bound in that direction.
For example: if there are two parameters needed to be fitting, then
bounds is [(min1,max1), (min2,max2)]
This function is based on 'leastsq' of minpack.py, the annotation of
other parameters can be found in 'leastsq'.
..\Lib\site-packages\scipy\optimize\minpack.py
"""
def _check_func(checker, argname, thefunc, x0, args, numinputs,
output_shape=None):
"""The same as that of minpack.py"""
res = np.atleast_1d(thefunc(*((x0[:numinputs],) + args)))
if (output_shape is not None) and (shape(res) != output_shape):
if (output_shape[0] != 1):
if len(output_shape) > 1:
if output_shape[1] == 1:
return shape(res)
msg = "%s: there is a mismatch between the input and output " \
"shape of the '%s' argument" % (checker, argname)
func_name = getattr(thefunc, '__name__', None)
if func_name:
msg += " '%s'." % func_name
else:
msg += "."
raise TypeError(msg)
if np.issubdtype(res.dtype, np.inexact):
dt = res.dtype
else:
dt = dtype(float)
return shape(res), dt
def _int2extGrad(p_int, bounds):
"""Calculate the gradients of transforming the internal (unconstrained) to external (constrained) parameter."""
grad = np.empty_like(p_int)
for i, (x, bound) in enumerate(zip(p_int, bounds)):
lower, upper = bound
if lower is None and upper is None: # No constraints
grad[i] = 1.0
elif upper is None: # only lower bound
grad[i] = x/np.sqrt(x*x + 1.0)
elif lower is None: # only upper bound
grad[i] = -x/np.sqrt(x*x + 1.0)
else: # lower and upper bounds
grad[i] = (upper - lower)*np.cos(x)/2.0
return grad
def _int2extFunc(bounds):
"""transform internal parameters into external parameters."""
local = [_int2extLocal(b) for b in bounds]
def _transform_i2e(p_int):
p_ext = np.empty_like(p_int)
p_ext[:] = [i(j) for i, j in zip(local, p_int)]
return p_ext
return _transform_i2e
def _ext2intFunc(bounds):
"""transform external parameters into internal parameters."""
local = [_ext2intLocal(b) for b in bounds]
def _transform_e2i(p_ext):
p_int = np.empty_like(p_ext)
p_int[:] = [i(j) for i, j in zip(local, p_ext)]
return p_int
return _transform_e2i
def _int2extLocal(bound):
"""transform a single internal parameter to an external parameter."""
lower, upper = bound
if lower is None and upper is None: # no constraints
return lambda x: x
elif upper is None: # only lower bound
return lambda x: lower - 1.0 + np.sqrt(x*x + 1.0)
elif lower is None: # only upper bound
return lambda x: upper + 1.0 - np.sqrt(x*x + 1.0)
else:
return lambda x: lower + ((upper - lower)/2.0)*(np.sin(x) + 1.0)
def _ext2intLocal(bound):
"""transform a single external parameter to an internal parameter."""
lower, upper = bound
if lower is None and upper is None: # no constraints
return lambda x: x
elif upper is None: # only lower bound
return lambda x: np.sqrt((x - lower + 1.0)**2 - 1.0)
elif lower is None: # only upper bound
return lambda x: np.sqrt((x - upper - 1.0)**2 - 1.0)
else:
return lambda x: np.arcsin((2.0*(x - lower)/(upper - lower)) - 1.0)
i2e = _int2extFunc(bounds)
e2i = _ext2intFunc(bounds)
x0 = np.asarray(x0).flatten()
n = len(x0)
if len(bounds) != n:
raise ValueError('the length of bounds is inconsistent with the number of parameters ')
if not isinstance(args, tuple):
args = (args,)
shape, dtype = _check_func('leastsq', 'func', func, x0, args, n)
m = shape[0]
if n > m:
raise TypeError('Improper input: N=%s must not exceed M=%s' % (n, m))
if epsfcn is None:
epsfcn = np.finfo(dtype).eps
def funcWarp(x, *args):
return func(i2e(x), *args)
xi0 = e2i(x0)
if Dfun is None:
if maxfev == 0:
maxfev = 200*(n + 1)
retval = _minpack._lmdif(funcWarp, xi0, args, full_output, ftol, xtol,
gtol, maxfev, epsfcn, factor, diag)
else:
if col_deriv:
_check_func('leastsq', 'Dfun', Dfun, x0, args, n, (n, m))
else:
_check_func('leastsq', 'Dfun', Dfun, x0, args, n, (m, n))
if maxfev == 0:
maxfev = 100*(n + 1)
def DfunWarp(x, *args):
return Dfun(i2e(x), *args)
retval = _minpack._lmder(funcWarp, DfunWarp, xi0, args, full_output, col_deriv,
ftol, xtol, gtol, maxfev, factor, diag)
errors = {0: ["Improper input parameters.", TypeError],
1: ["Both actual and predicted relative reductions "
"in the sum of squares\n are at most %f" % ftol, None],
2: ["The relative error between two consecutive "
"iterates is at most %f" % xtol, None],
3: ["Both actual and predicted relative reductions in "
"the sum of squares\n are at most %f and the "
"relative error between two consecutive "
"iterates is at \n most %f" % (ftol, xtol), None],
4: ["The cosine of the angle between func(x) and any "
"column of the\n Jacobian is at most %f in "
"absolute value" % gtol, None],
5: ["Number of calls to function has reached "
"maxfev = %d." % maxfev, ValueError],
6: ["ftol=%f is too small, no further reduction "
"in the sum of squares\n is possible.""" % ftol,
ValueError],
7: ["xtol=%f is too small, no further improvement in "
"the approximate\n solution is possible." % xtol,
ValueError],
8: ["gtol=%f is too small, func(x) is orthogonal to the "
"columns of\n the Jacobian to machine "
"precision." % gtol, ValueError],
'unknown': ["Unknown error.", TypeError]}
info = retval[-1] # The FORTRAN return value
if info not in [1, 2, 3, 4] and not full_output:
if info in [5, 6, 7, 8]:
np.warnings.warn(errors[info][0], RuntimeWarning)
else:
try:
raise errors[info][1](errors[info][0])
except KeyError:
raise errors['unknown'][1](errors['unknown'][0])
mesg = errors[info][0]
x = i2e(retval[0])
if full_output:
grad = _int2extGrad(retval[0], bounds)
retval[1]['fjac'] = (retval[1]['fjac'].T / np.take(grad,
retval[1]['ipvt'] - 1)).T
cov_x = None
if info in [1, 2, 3, 4]:
from numpy.dual import inv
from numpy.linalg import LinAlgError
perm = np.take(np.eye(n), retval[1]['ipvt'] - 1, 0)
r = np.triu(np.transpose(retval[1]['fjac'])[:n, :])
R = np.dot(r, perm)
try:
cov_x = inv(np.dot(np.transpose(R), R))
except LinAlgError as inverror:
print inverror
pass
return (x, cov_x) + retval[1:-1] + (mesg, info)
else:
return (x, info)
def _general_function(params, ydata, xdata, function):
return function(xdata, *params) - ydata
def _weighted_general_function(params, ydata, xdata, function, weights):
return (function(xdata, *params) - ydata)*weights
def curve_fit_bound(f, xdata, ydata, p0=None, sigma=None, bounds=None, **kw):
"""Similar as 'curve_fit' in minpack.py"""
if p0 is None:
# determine number of parameters by inspecting the function
import inspect
args, varargs, varkw, defaults = inspect.getargspec(f)
if len(args) < 2:
msg = "Unable to determine number of fit parameters."
raise ValueError(msg)
if 'self' in args:
p0 = [1.0] * (len(args)-2)
else:
p0 = [1.0] * (len(args)-1)
if np.isscalar(p0):
p0 = np.array([p0])
args = (ydata, xdata, f)
if sigma is None:
func = _general_function
else:
func = _weighted_general_function
args += (1.0/np.asarray(sigma),)
return_full = kw.pop('full_output', False)
res = leastsqBound(func, p0, args=args, bounds = bounds, full_output=True, **kw)
(popt, pcov, infodict, errmsg, ier) = res
if ier not in [1, 2, 3, 4]:
msg = "Optimal parameters not found: " + errmsg
raise RuntimeError(msg)
if (len(ydata) > len(p0)) and pcov is not None:
s_sq = (func(popt, *args)**2).sum()/(len(ydata)-len(p0))
pcov = pcov * s_sq
else:
pcov = np.inf
return (popt, pcov, infodict, errmsg, ier) if return_full else (popt, pcov)
!--------------------------------------------------------------------------------------------------
!> @brief builds mesh of (distorted) cubes for given coordinates (= center of the cubes)
!--------------------------------------------------------------------------------------------------
function mesh_nodesAroundCentres(gDim,Favg,centres) result(nodes)
use debug, only: &
debug_mesh, &
debug_level, &
debug_levelBasic
use math, only: &
math_mul33x3
implicit none
real(pReal), intent(in), dimension(:,:,:,:) :: &
centres
real(pReal), dimension(3,size(centres,2)+1,size(centres,3)+1,size(centres,4)+1) :: &
nodes
real(pReal), intent(in), dimension(3) :: &
gDim
real(pReal), intent(in), dimension(3,3) :: &
Favg
real(pReal), dimension(3,size(centres,2)+2,size(centres,3)+2,size(centres,4)+2) :: &
wrappedCentres
integer(pInt) :: &
i,j,k,n
integer(pInt), dimension(3), parameter :: &
diag = 1_pInt
integer(pInt), dimension(3) :: &
shift = 0_pInt, &
lookup = 0_pInt, &
me = 0_pInt, &
iRes = 0_pInt
integer(pInt), dimension(3,8) :: &
neighbor = reshape([ &
0_pInt, 0_pInt, 0_pInt, &
1_pInt, 0_pInt, 0_pInt, &
1_pInt, 1_pInt, 0_pInt, &
0_pInt, 1_pInt, 0_pInt, &
0_pInt, 0_pInt, 1_pInt, &
1_pInt, 0_pInt, 1_pInt, &
1_pInt, 1_pInt, 1_pInt, &
0_pInt, 1_pInt, 1_pInt ], [3,8])
!--------------------------------------------------------------------------------------------------
! initializing variables
iRes = [size(centres,2),size(centres,3),size(centres,4)]
nodes = 0.0_pReal
wrappedCentres = 0.0_pReal
!--------------------------------------------------------------------------------------------------
! report
if (iand(debug_level(debug_mesh),debug_levelBasic) /= 0_pInt) then
write(6,'(a)') ' Meshing cubes around centroids'
write(6,'(a,3(e12.5))') ' Dimension: ', gDim
write(6,'(a,3(i5))') ' Resolution:', iRes
endif
!--------------------------------------------------------------------------------------------------
! building wrappedCentres = centroids + ghosts
wrappedCentres(1:3,2_pInt:iRes(1)+1_pInt,2_pInt:iRes(2)+1_pInt,2_pInt:iRes(3)+1_pInt) = centres
do k = 0_pInt,iRes(3)+1_pInt
do j = 0_pInt,iRes(2)+1_pInt
do i = 0_pInt,iRes(1)+1_pInt
if (k==0_pInt .or. k==iRes(3)+1_pInt .or. & ! z skin
j==0_pInt .or. j==iRes(2)+1_pInt .or. & ! y skin
i==0_pInt .or. i==iRes(1)+1_pInt ) then ! x skin
me = [i,j,k] ! me on skin
shift = sign(abs(iRes+diag-2_pInt*me)/(iRes+diag),iRes+diag-2_pInt*me)
lookup = me-diag+shift*iRes
wrappedCentres(1:3,i+1_pInt, j+1_pInt, k+1_pInt) = &
centres(1:3,lookup(1)+1_pInt,lookup(2)+1_pInt,lookup(3)+1_pInt) - &
math_mul33x3(Favg, shift*gDim)
endif
enddo; enddo; enddo
!--------------------------------------------------------------------------------------------------
! averaging
do k = 0_pInt,iRes(3); do j = 0_pInt,iRes(2); do i = 0_pInt,iRes(1)
do n = 1_pInt,8_pInt
nodes(1:3,i+1_pInt,j+1_pInt,k+1_pInt) = &
nodes(1:3,i+1_pInt,j+1_pInt,k+1_pInt) + wrappedCentres(1:3,i+1_pInt+neighbor(1,n), &
j+1_pInt+neighbor(2,n), &
k+1_pInt+neighbor(3,n) )
enddo
enddo; enddo; enddo
nodes = nodes/8.0_pReal
end function mesh_nodesAroundCentres