From b11a14999bbcc2def839adfdbf5819d63c4dea37 Mon Sep 17 00:00:00 2001
From: Philip Eisenlohr <eisenlohr@egr.msu.edu>
Date: Thu, 30 Sep 2021 11:01:42 -0400
Subject: [PATCH] simplified lattice point data; added test

---
 python/damask/_crystal.py    | 10 +++-------
 python/tests/test_Crystal.py | 15 ++++++++++++++-
 2 files changed, 17 insertions(+), 8 deletions(-)

diff --git a/python/damask/_crystal.py b/python/damask/_crystal.py
index 5cfdad848..f36b28b4c 100644
--- a/python/damask/_crystal.py
+++ b/python/damask/_crystal.py
@@ -290,31 +290,27 @@ class Crystal():
         """Return lattice points."""
         _lattice_points = {
                 'P': [
-                      [0,0,0],
                      ],
                 'S': [
-                      [0,0,0],
                       [0.5,0.5,0],
                      ],
                 'I': [
-                      [0,0,0],
                       [0.5,0.5,0.5],
                      ],
                 'F': [
-                      [0,0,0],
                       [0.0,0.5,0.5],
                       [0.5,0.0,0.5],
                       [0.5,0.5,0.0],
                      ],
                 'hP': [
-                       [0,0,0],
                        [2./3.,1./3.,0.5],
                      ],
                 }
 
         if self.lattice is None: raise KeyError('no lattice type specified')
-        return np.array(_lattice_points.get(self.lattice if self.lattice == 'hP' else \
-                                            self.lattice[-1],None),dtype=float)
+        return np.array([[0,0,0]]
+                        + _lattice_points.get(self.lattice if self.lattice == 'hP' else \
+                                              self.lattice[-1],None),dtype=float)
 
     def to_lattice(self,*,direction=None,plane=None):
         """
diff --git a/python/tests/test_Crystal.py b/python/tests/test_Crystal.py
index 8b5217f63..90fbdce74 100644
--- a/python/tests/test_Crystal.py
+++ b/python/tests/test_Crystal.py
@@ -65,4 +65,17 @@ class TestCrystal:
                     alpha=alpha,beta=beta,gamma=gamma)
         assert np.allclose(vector,
                            c.to_frame(**{keyFrame:c.to_lattice(**{keyLattice:vector})}))
-    
+
+    @pytest.mark.parametrize('lattice,a,b,c,alpha,beta,gamma,points',
+                            [
+                             ('aP',0.5,2.0,3.0,0.8,0.5,1.2,[[0,0,0]]),
+                             ('mS',1.0,2.0,3.0,np.pi/2,0.5,np.pi/2,[[0,0,0],[0.5,0.5,0.0]]),
+                             ('oI',0.5,1.5,3.0,np.pi/2,np.pi/2,np.pi/2,[[0,0,0],[0.5,0.5,0.5]]),
+                             ('hP',1.0,1.0,1.6,np.pi/2,np.pi/2,2*np.pi/3,[[0,0,0],[2./3.,1./3.,0.5]]),
+                             ('cF',1.0,1.0,1.0,np.pi/2,np.pi/2,np.pi/2,[[0,0,0],[0.0,0.5,0.5],[0.5,0.0,0.5],[0.5,0.5,0.0]]),
+                            ])
+    def test_lattice_points(self,lattice,a,b,c,alpha,beta,gamma,points):
+        c = Crystal(lattice=lattice,
+                    a=a,b=b,c=c,
+                    alpha=alpha,beta=beta,gamma=gamma)
+        assert np.allclose(points,c.lattice_points)