keep data close to where it is used

python/damask/_crystal.py

@@ -172,6 +172,8 @@ class Crystal():
         """
         Corners of the standard triangle.
 
+        Notes
+        -----
         Not yet defined for monoclinic.
 
 
@@ -322,70 +324,6 @@ class Crystal():
 
 
     def kinematics(self,mode):
-        master = self._kinematics[self.lattice][mode]
-        if self.lattice == 'hP':
-            return {'direction':util.Bravais_to_Miller(uvtw=master[:,0:4]),
-                    'plane':    util.Bravais_to_Miller(hkil=master[:,4:8])}
-        else:
-            return {'direction':master[:,0:3],
-                    'plane':    master[:,3:6]}
-
-
-    def relation_operations(self,model):
-        """
-        Crystallographic orientation relationships for phase transformations.
-
-        Parameters
-        ----------
-        model : str
-            Name of orientation relationship.
-
-        Returns
-        -------
-        operations : (string, damask.Rotation)
-            Rotations characterizing the orientation relationship.
-
-        References
-        ----------
-        S. Morito et al., Journal of Alloys and Compounds 577:s587-s592, 2013
-        https://doi.org/10.1016/j.jallcom.2012.02.004
-
-        K. Kitahara et al., Acta Materialia 54(5):1279-1288, 2006
-        https://doi.org/10.1016/j.actamat.2005.11.001
-
-        Y. He et al., Journal of Applied Crystallography 39:72-81, 2006
-        https://doi.org/10.1107/S0021889805038276
-
-        H. Kitahara et al., Materials Characterization 54(4-5):378-386, 2005
-        https://doi.org/10.1016/j.matchar.2004.12.015
-
-        Y. He et al., Acta Materialia 53(4):1179-1190, 2005
-        https://doi.org/10.1016/j.actamat.2004.11.021
-
-        """
-        if model not in self.orientation_relationships:
-            raise KeyError(f'unknown orientation relationship "{model}"')
-        r = self.orientation_relationships[model]
-
-        sl = self.lattice
-        ol = (set(r)-{sl}).pop()
-        m = r[sl]
-        o = r[ol]
-
-        p_,_p = np.zeros(m.shape[:-1]+(3,)),np.zeros(o.shape[:-1]+(3,))
-        p_[...,0,:] = m[...,0,:] if m.shape[-1] == 3 else util.Bravais_to_Miller(uvtw=m[...,0,0:4])
-        p_[...,1,:] = m[...,1,:] if m.shape[-1] == 3 else util.Bravais_to_Miller(hkil=m[...,1,0:4])
-        _p[...,0,:] = o[...,0,:] if o.shape[-1] == 3 else util.Bravais_to_Miller(uvtw=o[...,0,0:4])
-        _p[...,1,:] = o[...,1,:] if o.shape[-1] == 3 else util.Bravais_to_Miller(hkil=o[...,1,0:4])
-
-        return (ol,Rotation.from_parallel(p_,_p))
-
-
-    @property
-    def orientation_relationships(self):
-        return {k:v for k,v in self._orientation_relationships.items() if self.lattice in v}
-
-
         _kinematics = {
             'cF': {
                 'slip' : np.array([
@@ -407,7 +345,7 @@ class Crystal():
                         [+1,+0,-1, +1,+0,+1],
                         [+0,+1,+1, +0,+1,-1],
                         [+0,+1,-1, +0,+1,+1],
-                   ],'d'),
+                       ],dtype=float),
                 'twin' : np.array([
                         [-2, 1, 1,  1, 1, 1],
                         [ 1,-2, 1,  1, 1, 1],
@@ -473,7 +411,7 @@ class Crystal():
                         [+1,+1,+1, -3,+2,+1],
                         [+1,+1,-1, +3,-2,+1],
                         [+1,-1,+1, +3,+2,-1],
-                   ],'d'),
+                       ],dtype=float),
                 'twin' : np.array([
                         [-1, 1, 1,  2, 1, 1],
                         [ 1, 1, 1, -2, 1, 1],
@@ -524,7 +462,7 @@ class Crystal():
                         [+1,+1,-2,+3, -1,-1,+2,+2],
                         [-1,+2,-1,+3, +1,-2,+1,+2],
                         [-2,+1,+1,+3, +2,-1,-1,+2],
-                   ],'d'),
+                       ],dtype=float),
                 'twin' : np.array([
                         [-1, 0, 1, 1,  1, 0,-1, 2],   # shear = (3-(c/a)^2)/(sqrt(3) c/a) <-10.1>{10.2}
                         [ 0,-1, 1, 1,  0, 1,-1, 2],
@@ -553,8 +491,47 @@ class Crystal():
                         ],dtype=float),
                 },
         }
+        master = _kinematics[self.lattice][mode]
+        if self.lattice == 'hP':
+            return {'direction':util.Bravais_to_Miller(uvtw=master[:,0:4]),
+                    'plane':    util.Bravais_to_Miller(hkil=master[:,4:8])}
+        else:
+            return {'direction':master[:,0:3],
+                    'plane':    master[:,3:6]}
 
 
+    def relation_operations(self,model):
+        """
+        Crystallographic orientation relationships for phase transformations.
+
+        Parameters
+        ----------
+        model : str
+            Name of orientation relationship.
+
+        Returns
+        -------
+        operations : (string, damask.Rotation)
+            Rotations characterizing the orientation relationship.
+
+        References
+        ----------
+        S. Morito et al., Journal of Alloys and Compounds 577:s587-s592, 2013
+        https://doi.org/10.1016/j.jallcom.2012.02.004
+
+        K. Kitahara et al., Acta Materialia 54(5):1279-1288, 2006
+        https://doi.org/10.1016/j.actamat.2005.11.001
+
+        Y. He et al., Journal of Applied Crystallography 39:72-81, 2006
+        https://doi.org/10.1107/S0021889805038276
+
+        H. Kitahara et al., Materials Characterization 54(4-5):378-386, 2005
+        https://doi.org/10.1016/j.matchar.2004.12.015
+
+        Y. He et al., Acta Materialia 53(4):1179-1190, 2005
+        https://doi.org/10.1016/j.actamat.2004.11.021
+
+        """
         _orientation_relationships = {
           'KS': {
             'cF' : np.array([
@@ -825,5 +802,20 @@ class Crystal():
               ],dtype=float),
           },
         }
+        orientation_relationships = {k:v for k,v in _orientation_relationships.items() if self.lattice in v}
+        if model not in orientation_relationships:
+            raise KeyError(f'unknown orientation relationship "{model}"')
+        r = orientation_relationships[model]
 
+        sl = self.lattice
+        ol = (set(r)-{sl}).pop()
+        m = r[sl]
+        o = r[ol]
 
+        p_,_p = np.zeros(m.shape[:-1]+(3,)),np.zeros(o.shape[:-1]+(3,))
+        p_[...,0,:] = m[...,0,:] if m.shape[-1] == 3 else util.Bravais_to_Miller(uvtw=m[...,0,0:4])
+        p_[...,1,:] = m[...,1,:] if m.shape[-1] == 3 else util.Bravais_to_Miller(hkil=m[...,1,0:4])
+        _p[...,0,:] = o[...,0,:] if o.shape[-1] == 3 else util.Bravais_to_Miller(uvtw=o[...,0,0:4])
+        _p[...,1,:] = o[...,1,:] if o.shape[-1] == 3 else util.Bravais_to_Miller(hkil=o[...,1,0:4])
+
+        return (ol,Rotation.from_parallel(p_,_p))