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DAMASK_EICMD
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This commit is contained in:
Martin Diehl 2020-02-21 07:21:45 +01:00
parent 251d55fe09
commit 9beca6488c
2 changed files with 59 additions and 54 deletions
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78
python/damask/dadf5.py
View File

@ -1,5 +1,3 @@
from fractions import Fraction
from functools import reduce
from queue import Queue
import re
import glob
@ -13,6 +11,7 @@ import numpy as np
from . import util
from . import version
from . import mechanics
from . import Rotation
from . import Orientation
from . import Environment
@ -282,7 +281,7 @@ class DADF5():
def del_visible(self,what,datasets):
"""
Delete from active groupse.
Delete from active groupe.
Parameters
----------
@ -661,7 +660,7 @@ class DADF5():
self.__add_generic_pointwise(__add_eigenvector,requested)
def add_IPFcolor(self,q,p=[0,0,1]):
def add_IPFcolor(self,q,p):
"""
Add RGB color tuple of inverse pole figure (IPF) color.
@ -670,51 +669,36 @@ class DADF5():
q : str
Label of the dataset containing the orientation data as quaternions.
p : list of int
Pole direction as Miller indices. Default value is [0, 0, 1].
Pole direction as Miller indices.
"""
def __add_IPFcolor(orientation,pole):
def __add_IPFcolor(q,p):
MAX_DENOMINATOR = 1000
def lcm(a, b):
"""Least common multiple."""
return a * b // np.gcd(a, b)
def get_square_denominator(x):
"""returns the denominator of the square of a number."""
return Fraction(x ** 2).limit_denominator(MAX_DENOMINATOR).denominator
def scale_to_Miller(v):
"""Factor to scale vector to integers."""
denominators = [int(get_square_denominator(i)) for i in v]
s = reduce(lcm, denominators) ** 0.5
m = (np.array(v)*s).astype(np.int)
return m//reduce(np.gcd,m)
m = scale_to_Miller(pole)
lattice = orientation['meta']['Lattice']
pole = np.array(p)
unit_pole = pole/np.linalg.norm(pole)
colors = np.empty((len(orientation['data']),3),np.uint8)
m = util.scale_to_coprime(pole)
colors = np.empty((len(q['data']),3),np.uint8)
for i,q in enumerate(orientation['data']):
lattice = q['meta']['Lattice']
for i,q in enumerate(q['data']):
o = Orientation(np.array([q['w'],q['x'],q['y'],q['z']]),lattice).reduced()
colors[i] = np.uint8(o.IPFcolor(unit_pole)*255)
return {
'data': colors,
'label': 'IPFcolor_[{} {} {}]'.format(*m),
'label': 'IPFcolor_{{{} {} {}>'.format(*m),
'meta' : {
'Unit': 'RGB (8bit)',
'Lattice': lattice,
'Description': 'Inverse Pole Figure colors',
'Description': 'Inverse Pole Figure (IPF) colors for direction/plane [{} {} {})'.format(*m),
'Creator': 'dadf5.py:addIPFcolor v{}'.format(version)
}
}
requested = [{'label':q,'arg':'orientation'}]
requested = [{'label':q,'arg':'q'}]
self.__add_generic_pointwise(__add_IPFcolor,requested,{'pole':p})
self.__add_generic_pointwise(__add_IPFcolor,requested,{'p':p})
def add_maximum_shear(self,x):
@ -846,49 +830,47 @@ class DADF5():
self.__add_generic_pointwise(__add_PK2,requested)
def addPole(self,q,p,polar=False):
def add_pole(self,q,p,polar=False):
"""
Add coordinates of stereographic projection of given direction (pole) in crystal frame.
Add coordinates of stereographic projection of given pole in crystal frame.
Parameters
----------
q : str
Label of the dataset containing the crystallographic orientation as a quaternion.
p : numpy.array of shape (3)
Pole (direction) in crystal frame.
Pole in crystal frame.
polar : bool, optional
Give pole in polar coordinates. Default is false.
"""
def __addPole(orientation,pole):
def __add_pole(q,p,polar):
pole = np.array(pole)
unit_pole /= np.linalg.norm(pole)
coords = np.empty((len(orientation['data']),2))
pole = np.array(p)
unit_pole = pole/np.linalg.norm(pole)
m = util.scale_to_coprime(pole)
coords = np.empty((len(q['data']),2))
for i,q in enumerate(orientation['data']):
for i,q in enumerate(q['data']):
o = Rotation(np.array([q['w'],q['x'],q['y'],q['z']]))
rotatedPole = o*pole # rotate pole according to crystal orientation
(x,y) = rotatedPole[0:2]/(1.+abs(pole[2])) # stereographic projection
if polar is True:
coords[i] = [np.sqrt(x*x+y*y),np.arctan2(y,x)]
else:
coords[i] = [x,y]
coords[i] = [np.sqrt(x*x+y*y),np.arctan2(y,x)] if polar else [x,y]
return {
'data': coords,
'label': 'Pole',
'label': 'p^{}_[{} {} {})'.format(u'rφ' if polar else 'xy',*m),
'meta' : {
'Unit': '1',
'Description': 'Coordinates of stereographic projection of given direction (pole) in crystal frame',
'Description': '{} coordinates of stereographic projection of pole (direction/plane) in crystal frame'\
.format('Polar' if polar else 'Cartesian'),
'Creator' : 'dadf5.py:addPole v{}'.format(version)
}
}
requested = [{'label':'orientation','arg':'orientation'}]
requested = [{'label':q,'arg':'q'}]
self.__add_generic_pointwise(__addPole,requested,{'pole':pole})
self.__add_generic_pointwise(__add_pole,requested,{'p':p,'polar':polar})
def add_rotational_part(self,F='F'):

23
python/damask/util.py
View File

@ -3,10 +3,14 @@ import time
import os
import subprocess
import shlex
from fractions import Fraction
from functools import reduce
from optparse import Option
from queue import Queue
from threading import Thread
import numpy as np
class bcolors:
"""
ASCII Colors (Blender code).
@ -161,6 +165,25 @@ def progressBar(iteration, total, prefix='', bar_length=50):
sys.stderr.flush()
def scale_to_coprime(v):
"""Scale vector to co-prime (relatively prime) integers."""
MAX_DENOMINATOR = 1000
def get_square_denominator(x):
"""returns the denominator of the square of a number."""
return Fraction(x ** 2).limit_denominator(MAX_DENOMINATOR).denominator
def lcm(a, b):
"""Least common multiple."""
return a * b // np.gcd(a, b)
denominators = [int(get_square_denominator(i)) for i in v]
s = reduce(lcm, denominators) ** 0.5
m = (np.array(v)*s).astype(np.int)
return m//reduce(np.gcd,m)
class return_message():
"""Object with formatted return message."""