documenting

python/damask/_crystal.py

@@ -324,6 +324,20 @@ class Crystal():
 
 
     def kinematics(self,mode):
+        """
+        Return kinematic sytems.
+
+        Parameters
+        ----------
+        mode : {'slip','twin'}
+            Deformation mode.
+
+        Returns
+        -------
+        direction_plane : dictionary
+            Direction and plane of deformation mode.
+
+        """
         _kinematics = {
             'cF': {
                 'slip' : np.array([

python/damask/_orientation.py

@@ -107,7 +107,8 @@ class Orientation(Rotation,Crystal):
     --------
     An array of 3 x 5 random orientations reduced to the fundamental zone of tetragonal symmetry:
 
-    >>> damask.Orientation.from_random(shape=(3,5),lattice='tetragonal').reduced
+    >>> import damask
+    >>> o=damask.Orientation.from_random(shape=(3,5),lattice='tetragonal').reduced
 
     """
 
@@ -712,6 +713,7 @@ class Orientation(Rotation,Crystal):
         --------
         Inverse pole figure color of the e_3 direction for a crystal in "Cube" orientation with cubic symmetry:
 
+        >>> import damask
         >>> o = damask.Orientation(lattice='cubic')
         >>> o.IPF_color([0,0,1])
         array([1., 0., 0.])
@@ -859,7 +861,7 @@ class Orientation(Rotation,Crystal):
         Parameters
         ----------
         mode : {'slip', 'twin'}
-            Type of kinematics.
+            Deformation mode.
 
         Returns
         -------
@@ -868,7 +870,7 @@ class Orientation(Rotation,Crystal):
 
         Examples
         --------
-        Schmid matrix (in lab frame) of slip systems of a face-centered
+        Schmid matrix (in lab frame) of first slip system of a face-centered
         cubic crystal in "Goss" orientation.
 
         >>> import damask
@@ -880,13 +882,10 @@ class Orientation(Rotation,Crystal):
                [ 0.000,  0.000,  0.000]])
 
         """
-        try:
+        d = self.to_frame(uvw=self.kinematics(mode)['direction'])
-            d = self.to_frame(uvw=self.kinematics(mode)['direction'])
+        p = self.to_frame(hkl=self.kinematics(mode)['plane'])
-            p = self.to_frame(hkl=self.kinematics(mode)['plane'])
+        P = np.einsum('...i,...j',d/np.linalg.norm(d,axis=1,keepdims=True),
-        except KeyError:
+                                  p/np.linalg.norm(p,axis=1,keepdims=True))
-            raise (f'"{mode}" not defined for lattice "{self.lattice}"')
-        P = np.einsum('...i,...j',d/np.linalg.norm(d,axis=-1,keepdims=True),
-                                  p/np.linalg.norm(p,axis=-1,keepdims=True))
 
         return ~self.broadcast_to( self.shape+P.shape[:-2],mode='right') \
                @ np.broadcast_to(P,self.shape+P.shape)

python/damask/util.py

@@ -287,6 +287,8 @@ def project_stereographic(vector,direction='z',normalize=True,keepdims=False):
 
     Examples
     --------
+    >>> import damask
+    >>> import numpy as np
     >>> project_stereographic(np.ones(3))
         [0.3660254, 0.3660254]
     >>> project_stereographic(np.ones(3),direction='x',normalize=False,keepdims=True)
@@ -339,7 +341,7 @@ def hybrid_IA(dist,N,rng_seed=None):
 
 def shapeshifter(fro,to,mode='left',keep_ones=False):
     """
-    Return a tuple that reshapes 'fro' to become broadcastable to 'to'.
+    Return dimensions that reshape 'fro' to become broadcastable to 'to'.
 
     Parameters
     ----------
@@ -356,6 +358,22 @@ def shapeshifter(fro,to,mode='left',keep_ones=False):
         Treat '1' in fro as literal value instead of dimensional placeholder.
         Defaults to False.
 
+    Returns
+    -------
+    new_dims : tuple
+        Dimensions for reshape.
+
+    Example
+    -------
+    >>> 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)
+
+
     """
     beg = dict(left ='(^.*\\b)',
                right='(^.*?\\b)')