From 9694767997933e55f8ae41e08b5282ac838a6677 Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Wed, 20 May 2020 09:01:38 +0200
Subject: [PATCH] all seems to work now

---
 python/damask/_rotation.py          | 8 ++++----
 python/tests/rotation_conversion.py | 6 +++---
 2 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/python/damask/_rotation.py b/python/damask/_rotation.py
index d2698fd52..baa008391 100644
--- a/python/damask/_rotation.py
+++ b/python/damask/_rotation.py
@@ -694,7 +694,7 @@ class Rotation:
     @staticmethod
     def om2ax(om):
         """Rotation matrix to axis angle pair."""
-        return Rotation.qu2ax(Rotation.om2qu(om)) # HOTFIX
+        #return Rotation.qu2ax(Rotation.om2qu(om)) # HOTFIX
         diag_delta = -_P*np.block([om[...,1,2:3]-om[...,2,1:2],
                                    om[...,2,0:1]-om[...,0,2:3],
                                    om[...,0,1:2]-om[...,1,0:1]
@@ -878,14 +878,14 @@ class Rotation:
             ax = np.where(np.isfinite(ro[...,3:4]),
                  np.block([ro[...,0:3]*np.linalg.norm(ro[...,0:3],axis=-1,keepdims=True),2.*np.arctan(ro[...,3:4])]),
                  np.block([ro[...,0:3],np.broadcast_to(np.pi,ro[...,3:4].shape)]))
-        ax[np.abs(ro[...,3]) < 1.e-6]  = np.array([ 0.0, 0.0, 1.0, 0.0 ])
+        ax[np.abs(ro[...,3]) < 1.e-8]  = np.array([ 0.0, 0.0, 1.0, 0.0 ])
         return ax
 
     @staticmethod
     def ro2ho(ro):
         """Rodrigues-Frank vector to homochoric vector."""
         f = np.where(np.isfinite(ro[...,3:4]),2.0*np.arctan(ro[...,3:4]) -np.sin(2.0*np.arctan(ro[...,3:4])),np.pi)
-        ho = np.where(np.broadcast_to(np.sum(ro[...,0:3]**2.0,axis=-1,keepdims=True) < 1.e-6,ro[...,0:3].shape),
+        ho = np.where(np.broadcast_to(np.sum(ro[...,0:3]**2.0,axis=-1,keepdims=True) < 1.e-8,ro[...,0:3].shape),
                       np.zeros(3), ro[...,0:3]* (0.75*f)**(1.0/3.0))
         return ho
 
@@ -929,7 +929,7 @@ class Rotation:
             hm *= hmag_squared
             s  += tfit[i] * hm
         with np.errstate(invalid='ignore'):
-            ax = np.where(np.broadcast_to(np.abs(hmag_squared)<1.e-6,ho.shape[:-1]+(4,)),
+            ax = np.where(np.broadcast_to(np.abs(hmag_squared)<1.e-8,ho.shape[:-1]+(4,)),
                           [ 0.0, 0.0, 1.0, 0.0 ],
                           np.block([ho/np.sqrt(hmag_squared),2.0*np.arccos(np.clip(s,-1.0,1.0))]))
         return ax
diff --git a/python/tests/rotation_conversion.py b/python/tests/rotation_conversion.py
index 3aca1a212..58ac9329f 100644
--- a/python/tests/rotation_conversion.py
+++ b/python/tests/rotation_conversion.py
@@ -147,7 +147,7 @@ def om2eu(om):
 
 def om2ax(om):
     """Rotation matrix to axis angle pair."""
-    return qu2ax(om2qu(om)) # HOTFIX
+    #return qu2ax(om2qu(om)) # HOTFIX
     ax=np.empty(4)
 
     # first get the rotation angle
@@ -262,7 +262,7 @@ def ax2ho(ax):
 #---------- Rodrigues-Frank vector ----------
 def ro2ax(ro):
     """Rodrigues-Frank vector to axis angle pair."""
-    if np.abs(ro[3]) < 1.e-6:
+    if np.abs(ro[3]) < 1.e-8:
         ax = np.array([ 0.0, 0.0, 1.0, 0.0 ])
     elif not np.isfinite(ro[3]):
         ax = np.array([ ro[0], ro[1], ro[2], np.pi ])
@@ -274,7 +274,7 @@ def ro2ax(ro):
 
 def ro2ho(ro):
     """Rodrigues-Frank vector to homochoric vector."""
-    if np.sum(ro[0:3]**2.0) < 1.e-6:
+    if np.sum(ro[0:3]**2.0) < 1.e-8:
         ho = np.zeros(3)
     else:
         f = 2.0*np.arctan(ro[3]) -np.sin(2.0*np.arctan(ro[3])) if np.isfinite(ro[3]) else np.pi