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DAMASK_EICMD
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adopted to python 3. 

for replacement of cmp function, see https://docs.python.org/3.0/whatsnew/3.0.html
it's recommended to remove it completely
This commit is contained in:
Martin Diehl 2016-10-25 06:51:40 +02:00
parent 8a94f55a2e
commit 95fb50272f
1 changed files with 35 additions and 33 deletions
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68
lib/damask/orientation.py
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@ -42,7 +42,7 @@ class Quaternion:
def __init__(self, def __init__(self,
quatArray = [1.0,0.0,0.0,0.0]): quatArray = [1.0,0.0,0.0,0.0]):
"""initializes to identity if not given""" """Initializes to identity if not given"""
self.w, \ self.w, \
self.x, \ self.x, \
self.y, \ self.y, \
@ -50,23 +50,23 @@ class Quaternion:
self.homomorph() self.homomorph()
def __iter__(self): def __iter__(self):
"""components""" """Components"""
return iter([self.w,self.x,self.y,self.z]) return iter([self.w,self.x,self.y,self.z])
def __copy__(self): def __copy__(self):
"""create copy""" """Create copy"""
Q = Quaternion([self.w,self.x,self.y,self.z]) Q = Quaternion([self.w,self.x,self.y,self.z])
return Q return Q
copy = __copy__ copy = __copy__
def __repr__(self): def __repr__(self):
"""readbable string""" """Readbable string"""
return 'Quaternion(real=%+.6f, imag=<%+.6f, %+.6f, %+.6f>)' % \ return 'Quaternion(real=%+.6f, imag=<%+.6f, %+.6f, %+.6f>)' % \
(self.w, self.x, self.y, self.z) (self.w, self.x, self.y, self.z)
def __pow__(self, exponent): def __pow__(self, exponent):
"""power""" """Power"""
omega = math.acos(self.w) omega = math.acos(self.w)
vRescale = math.sin(exponent*omega)/math.sin(omega) vRescale = math.sin(exponent*omega)/math.sin(omega)
Q = Quaternion() Q = Quaternion()
@ -77,7 +77,7 @@ class Quaternion:
return Q return Q
def __ipow__(self, exponent): def __ipow__(self, exponent):
"""in place power""" """In place power"""
omega = math.acos(self.w) omega = math.acos(self.w)
vRescale = math.sin(exponent*omega)/math.sin(omega) vRescale = math.sin(exponent*omega)/math.sin(omega)
self.w = np.cos(exponent*omega) self.w = np.cos(exponent*omega)
@ -87,7 +87,7 @@ class Quaternion:
return self return self
def __mul__(self, other): def __mul__(self, other):
"""multiplication""" """Multiplication"""
try: # quaternion try: # quaternion
Aw = self.w Aw = self.w
Ax = self.x Ax = self.x
@ -135,7 +135,7 @@ class Quaternion:
return self.copy() return self.copy()
def __imul__(self, other): def __imul__(self, other):
"""in place multiplication""" """In place multiplication"""
try: # Quaternion try: # Quaternion
Ax = self.x Ax = self.x
Ay = self.y Ay = self.y
@ -153,7 +153,7 @@ class Quaternion:
return self return self
def __div__(self, other): def __div__(self, other):
"""division""" """Division"""
if isinstance(other, (int,float)): if isinstance(other, (int,float)):
w = self.w / other w = self.w / other
x = self.x / other x = self.x / other
@ -164,7 +164,7 @@ class Quaternion:
return NotImplemented return NotImplemented
def __idiv__(self, other): def __idiv__(self, other):
"""in place division""" """In place division"""
if isinstance(other, (int,float)): if isinstance(other, (int,float)):
self.w /= other self.w /= other
self.x /= other self.x /= other
@ -173,7 +173,7 @@ class Quaternion:
return self return self
def __add__(self, other): def __add__(self, other):
"""addition""" """Addition"""
if isinstance(other, Quaternion): if isinstance(other, Quaternion):
w = self.w + other.w w = self.w + other.w
x = self.x + other.x x = self.x + other.x
@ -184,7 +184,7 @@ class Quaternion:
return NotImplemented return NotImplemented
def __iadd__(self, other): def __iadd__(self, other):
"""in place division""" """In place division"""
if isinstance(other, Quaternion): if isinstance(other, Quaternion):
self.w += other.w self.w += other.w
self.x += other.x self.x += other.x
@ -193,7 +193,7 @@ class Quaternion:
return self return self
def __sub__(self, other): def __sub__(self, other):
"""subtraction""" """Subtraction"""
if isinstance(other, Quaternion): if isinstance(other, Quaternion):
Q = self.copy() Q = self.copy()
Q.w -= other.w Q.w -= other.w
@ -205,7 +205,7 @@ class Quaternion:
return self.copy() return self.copy()
def __isub__(self, other): def __isub__(self, other):
"""in place subtraction""" """In place subtraction"""
if isinstance(other, Quaternion): if isinstance(other, Quaternion):
self.w -= other.w self.w -= other.w
self.x -= other.x self.x -= other.x
@ -214,7 +214,7 @@ class Quaternion:
return self return self
def __neg__(self): def __neg__(self):
"""additive inverse""" """Additive inverse"""
self.w = -self.w self.w = -self.w
self.x = -self.x self.x = -self.x
self.y = -self.y self.y = -self.y
@ -222,7 +222,7 @@ class Quaternion:
return self return self
def __abs__(self): def __abs__(self):
"""norm""" """Norm"""
return math.sqrt(self.w ** 2 + \ return math.sqrt(self.w ** 2 + \
self.x ** 2 + \ self.x ** 2 + \
self.y ** 2 + \ self.y ** 2 + \
@ -231,7 +231,7 @@ class Quaternion:
magnitude = __abs__ magnitude = __abs__
def __eq__(self,other): def __eq__(self,other):
"""equal at e-8 precision""" """Equal at e-8 precision"""
return (abs(self.w-other.w) < 1e-8 and \ return (abs(self.w-other.w) < 1e-8 and \
abs(self.x-other.x) < 1e-8 and \ abs(self.x-other.x) < 1e-8 and \
abs(self.y-other.y) < 1e-8 and \ abs(self.y-other.y) < 1e-8 and \
@ -243,12 +243,12 @@ class Quaternion:
abs(-self.z-other.z) < 1e-8) abs(-self.z-other.z) < 1e-8)
def __ne__(self,other): def __ne__(self,other):
"""not equal at e-8 precision""" """Not equal at e-8 precision"""
return not self.__eq__(self,other) return not self.__eq__(self,other)
def __cmp__(self,other): def __cmp__(self,other):
"""linear ordering""" """Linear ordering"""
return cmp(self.Rodrigues(),other.Rodrigues()) return (self.Rodrigues()>other.Rodrigues()) - (self.Rodrigues()<other.Rodrigues())
def magnitude_squared(self): def magnitude_squared(self):
return self.w ** 2 + \ return self.w ** 2 + \
@ -508,7 +508,7 @@ class Quaternion:
@classmethod @classmethod
def new_interpolate(cls, q1, q2, t): def new_interpolate(cls, q1, q2, t):
""" """
interpolation Interpolation
see http://ntrs.nasa.gov/archive/nasa/casi.ntrs.nasa.gov/20070017872_2007014421.pdf see http://ntrs.nasa.gov/archive/nasa/casi.ntrs.nasa.gov/20070017872_2007014421.pdf
for (another?) way to interpolate quaternions for (another?) way to interpolate quaternions
@ -555,7 +555,7 @@ class Symmetry:
lattices = [None,'orthorhombic','tetragonal','hexagonal','cubic',] lattices = [None,'orthorhombic','tetragonal','hexagonal','cubic',]
def __init__(self, symmetry = None): def __init__(self, symmetry = None):
"""lattice with given symmetry, defaults to None""" """Lattice with given symmetry, defaults to None"""
if isinstance(symmetry, str) and symmetry.lower() in Symmetry.lattices: if isinstance(symmetry, str) and symmetry.lower() in Symmetry.lattices:
self.lattice = symmetry.lower() self.lattice = symmetry.lower()
else: else:
@ -563,28 +563,30 @@ class Symmetry:
def __copy__(self): def __copy__(self):
"""copy""" """Copy"""
return self.__class__(self.lattice) return self.__class__(self.lattice)
copy = __copy__ copy = __copy__
def __repr__(self): def __repr__(self):
"""readbable string""" """Readbable string"""
return '%s' % (self.lattice) return '%s' % (self.lattice)
def __eq__(self, other): def __eq__(self, other):
"""equal""" """Equal"""
return self.lattice == other.lattice return self.lattice == other.lattice
def __neq__(self, other): def __neq__(self, other):
"""not equal""" """Not equal"""
return not self.__eq__(other) return not self.__eq__(other)
def __cmp__(self,other): def __cmp__(self,other):
"""linear ordering""" """Linear ordering"""
return cmp(Symmetry.lattices.index(self.lattice),Symmetry.lattices.index(other.lattice)) myOrder = Symmetry.lattices.index(self.lattice)
otherOrder = Symmetry.lattices.index(other.lattice)
return (myOrder > otherOrder) - (myOrder < otherOrder)
def symmetryQuats(self,who = []): def symmetryQuats(self,who = []):
"""List of symmetry operations as quaternions.""" """List of symmetry operations as quaternions."""
@ -845,14 +847,14 @@ class Orientation:
self.symmetry = Symmetry(symmetry) self.symmetry = Symmetry(symmetry)
def __copy__(self): def __copy__(self):
"""copy""" """Copy"""
return self.__class__(quaternion=self.quaternion,symmetry=self.symmetry.lattice) return self.__class__(quaternion=self.quaternion,symmetry=self.symmetry.lattice)
copy = __copy__ copy = __copy__
def __repr__(self): def __repr__(self):
"""value as all implemented representations""" """Value as all implemented representations"""
return 'Symmetry: %s\n' % (self.symmetry) + \ return 'Symmetry: %s\n' % (self.symmetry) + \
'Quaternion: %s\n' % (self.quaternion) + \ 'Quaternion: %s\n' % (self.quaternion) + \
'Matrix:\n%s\n' % ( '\n'.join(['\t'.join(map(str,self.asMatrix()[i,:])) for i in range(3)]) ) + \ 'Matrix:\n%s\n' % ( '\n'.join(['\t'.join(map(str,self.asMatrix()[i,:])) for i in range(3)]) ) + \
@ -937,7 +939,7 @@ class Orientation:
axis, axis,
proper = False, proper = False,
SST = True): SST = True):
"""axis rotated according to orientation (using crystal symmetry to ensure location falls into SST)""" """Axis rotated according to orientation (using crystal symmetry to ensure location falls into SST)"""
if SST: # pole requested to be within SST if SST: # pole requested to be within SST
for i,q in enumerate(self.symmetry.equivalentQuaternions(self.quaternion)): # test all symmetric equivalent quaternions for i,q in enumerate(self.symmetry.equivalentQuaternions(self.quaternion)): # test all symmetric equivalent quaternions
pole = q.conjugated()*axis # align crystal direction to axis pole = q.conjugated()*axis # align crystal direction to axis
@ -963,7 +965,7 @@ class Orientation:
orientations, orientations,
multiplicity = []): multiplicity = []):
""" """
average orientation Average orientation
ref: F. Landis Markley, Yang Cheng, John Lucas Crassidis, and Yaakov Oshman. ref: F. Landis Markley, Yang Cheng, John Lucas Crassidis, and Yaakov Oshman.
Averaging Quaternions, Averaging Quaternions,
@ -996,7 +998,7 @@ class Orientation:
direction, direction,
targetSymmetry = None): targetSymmetry = None):
""" """
orientation relationship Orientation relationship
positive number: fcc --> bcc positive number: fcc --> bcc
negative number: bcc --> fcc negative number: bcc --> fcc