polishing

This commit is contained in:
Martin Diehl 2020-06-20 16:34:19 +02:00
parent 13bf7515ce
commit 262346ff5a
1 changed files with 4 additions and 4 deletions

View File

@ -224,7 +224,7 @@ class Symmetry:
symQuats = [ symQuats = [
[ 1.0,0.0,0.0,0.0 ], [ 1.0,0.0,0.0,0.0 ],
] ]
return Rotation(np.array(symQuats)) return np.array(symQuats)
def inFZ(self,rodrigues): def inFZ(self,rodrigues):
@ -439,7 +439,7 @@ class Symmetry:
else: else:
return np.ones_like(vector[...,0],bool) return np.ones_like(vector[...,0],bool)
b_p = np.broadcast_to(basis['proper'], vector.shape+(3,)) b_p = np.broadcast_to(basis['proper'], vector.shape+(3,))
if proper: if proper:
b_i = np.broadcast_to(basis['improper'],vector.shape+(3,)) b_i = np.broadcast_to(basis['improper'],vector.shape+(3,))
improper = np.all(np.around(np.einsum('...ji,...i',b_i,vector),12)>=0.0,axis=-1,keepdims=True) improper = np.all(np.around(np.einsum('...ji,...i',b_i,vector),12)>=0.0,axis=-1,keepdims=True)
@ -457,14 +457,14 @@ class Symmetry:
rgb = (theComponents/np.linalg.norm(theComponents,axis=-1,keepdims=True))**0.5 # smoothen color ramps rgb = (theComponents/np.linalg.norm(theComponents,axis=-1,keepdims=True))**0.5 # smoothen color ramps
rgb = np.minimum(1.,rgb) # limit to maximum intensity rgb = np.minimum(1.,rgb) # limit to maximum intensity
rgb /= np.max(rgb,axis=-1,keepdims=True) # normalize to (HS)V = 1 rgb /= np.max(rgb,axis=-1,keepdims=True) # normalize to (HS)V = 1
rgb[np.invert(np.broadcast_to(in_SST.reshape(vector[...,0].shape+(1,)),vector.shape))] = 0.0 rgb[~np.broadcast_to(in_SST.reshape(vector[...,0].shape+(1,)),vector.shape)] = 0.0
return (in_SST,rgb) return (in_SST,rgb)
else: else:
return in_SST return in_SST
# ****************************************************************************************** # ******************************************************************************************
class Lattice: class Lattice: # ToDo: Make a subclass of Symmetry!
""" """
Lattice system. Lattice system.