From 0c41e334341da15de6033709f05657474b7bf576 Mon Sep 17 00:00:00 2001
From: "f.basile" <f.basile@mpie.de>
Date: Thu, 4 Jun 2020 16:39:24 +0200
Subject: [PATCH] orientation.equivalent takes several rotations at the same
 time + small test"

"

""
---
 python/damask/_orientation.py | 18 ++++++++++++++++--
 python/damask/oritest.py      | 33 +++++++++++++++++++++++++++++++++
 2 files changed, 49 insertions(+), 2 deletions(-)
 create mode 100644 python/damask/oritest.py

diff --git a/python/damask/_orientation.py b/python/damask/_orientation.py
index e4dbc7d7c..6fa40c261 100644
--- a/python/damask/_orientation.py
+++ b/python/damask/_orientation.py
@@ -39,8 +39,8 @@ class Orientation:
         else:
             self.rotation = Rotation.from_quaternion(rotation)                                      # assume quaternion
 
-        if self.rotation.quaternion.shape != (4,):
-            raise NotImplementedError('Support for multiple rotations missing')
+#        if self.rotation.quaternion.shape != (4,):
+#            raise NotImplementedError('Support for multiple rotations missing')
 
     def disorientation(self,
                        other,
@@ -80,6 +80,20 @@ class Orientation:
     def inFZ(self):
         return self.lattice.symmetry.inFZ(self.rotation.as_Rodrigues(vector=True))
 
+    def equivalent(self):
+        """
+        List of orientations which are symmetrically equivalent.
+        Supported for multiple rotation with same lattice
+        Returns list [i] being i=range(24)
+        Returns list [i, num_rot] for multiple rotations
+        """
+        if not self.rotation.shape:
+            return [self.__class__(q*self.rotation,self.lattice) \
+                    for q in self.lattice.symmetry.symmetryOperations()]
+        else:
+            return np.reshape([self.__class__(q*Rotation.from_quaternion(self.rotation.as_quaternion()[l]),self.lattice) \
+                    for q in self.lattice.symmetry.symmetryOperations() for l in range(self.rotation.shape[0])], (24,self.rotation.shape[0]))
+
 
     def equivalentOrientations(self,members=[]):
         """List of orientations which are symmetrically equivalent."""
diff --git a/python/damask/oritest.py b/python/damask/oritest.py
new file mode 100644
index 000000000..43104a938
--- /dev/null
+++ b/python/damask/oritest.py
@@ -0,0 +1,33 @@
+import damask
+import numpy as np
+
+
+rot0= damask.Rotation.from_random()
+rot1= damask.Rotation.from_random()
+rot2= damask.Rotation.from_random()
+
+ori0=damask.Orientation(rot0,'fcc')
+ori1=damask.Orientation(rot1,'fcc')
+ori2=damask.Orientation(rot2,'fcc')
+
+
+
+
+quat=np.array([rot0.as_quaternion(),rot1.as_quaternion(),rot2.as_quaternion()])
+rot=damask.Rotation.from_quaternion(quat)
+
+ori=damask.Orientation(rot,'fcc')
+
+ori.equivalent()
+
+
+
+# doesn't work this way, don't know why
+#ori.equivalent()[:,0][0] == ori0.equivalentOrientations()[0]
+
+for s in range(24):
+    print(ori.equivalent()[s,0].rotation.as_Eulers() == ori0.equivalentOrientations()[s].rotation.as_Eulers())
+    print(ori.equivalent()[s,1].rotation.as_Eulers() == ori1.equivalentOrientations()[s].rotation.as_Eulers())
+    print(ori.equivalent()[s,2].rotation.as_Eulers() == ori2.equivalentOrientations()[s].rotation.as_Eulers())
+
+