Hotfixes (espressomd#3846)

jngrad · Aug 18, 2020 · 6d8642a · 6d8642a
1 parent 374ead4
commit 6d8642a
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Showing 2 changed files with 16 additions and 21 deletions.
diff --git a/samples/billiard.py b/samples/billiard.py
@@ -264,10 +264,10 @@ def mix_sig(sig1, sig2, rule='LB'):
                         p.pos = ball_start_pos
                         p.v = [0, 0, 0]
                     elif p.id == 5:
-                        for p in system.part:
-                            p.pos = spawnpos[p.id]
-                            p.v = [0, 0, 0]
-                            p.fix = [0, 1, 0]
+                        for p2 in system.part:
+                            p2.pos = spawnpos[p2.id]
+                            p2.v = [0, 0, 0]
+                            p2.fix = [0, 1, 0]
                         ball.fix = [1, 1, 1]
                         ball.ext_force = impulse * \
                             np.array([math.sin(angle), 0, math.cos(angle)])

diff --git a/src/python/object_in_fluid/oif_classes.py b/src/python/object_in_fluid/oif_classes.py
@@ -107,7 +107,8 @@ class Edge:
     def __init__(self, A, B):
         if not (isinstance(A, PartPoint) or (isinstance(A, FixedPoint))) and (
                 isinstance(B, PartPoint) or (isinstance(B, FixedPoint))):
-            TypeError("Arguments to Edge must be FixedPoint or PartPoint.")
+            raise TypeError(
+                "Arguments to Edge must be FixedPoint or PartPoint.")
         self.A = A
         self.B = B
 
@@ -125,7 +126,8 @@ class Triangle:
     def __init__(self, A, B, C):
         if not (isinstance(A, PartPoint) or (isinstance(A, FixedPoint))) and (isinstance(B, PartPoint) or (
                 isinstance(B, FixedPoint))) and (isinstance(C, PartPoint) or (isinstance(C, FixedPoint))):
-            TypeError("Arguments to Triangle must be FixedPoint or PartPoint.")
+            raise TypeError(
+                "Arguments to Triangle must be FixedPoint or PartPoint.")
         self.A = A
         self.B = B
         self.C = C
@@ -148,7 +150,8 @@ def __init__(self, A, B, C, D):
                 and (isinstance(B, PartPoint) or (isinstance(B, FixedPoint))) \
                 and (isinstance(C, PartPoint) or (isinstance(C, FixedPoint))) \
                 and (isinstance(D, PartPoint) or (isinstance(D, FixedPoint))):
-            TypeError("Arguments to Angle must be FixedPoint or PartPoint.")
+            raise TypeError(
+                "Arguments to Angle must be FixedPoint or PartPoint.")
         self.A = A
         self.B = B
         self.C = C
@@ -171,7 +174,7 @@ def __init__(self, A, B, C):
         if not (isinstance(A, PartPoint) or (isinstance(A, FixedPoint))) \
                 and (isinstance(B, PartPoint) or (isinstance(B, FixedPoint))) \
                 and (isinstance(C, PartPoint) or (isinstance(C, FixedPoint))):
-            TypeError(
+            raise TypeError(
                 "Arguments to ThreeNeighbors must be FixedPoint or PartPoint.")
         self.A = A
         self.B = B
@@ -1163,9 +1166,7 @@ def elastic_forces(
         if (el_forces[0] == 1) or (el_forces[5] == 1) or (
                 f_metric[0] == 1) or (f_metric[5] == 1):
             # initialize list
-            stretching_forces_list = []
-            for p in self.mesh.points:
-                stretching_forces_list.append([0.0, 0.0, 0.0])
+            stretching_forces_list = np.zeros((self.mesh.points, 3))
             # calculation uses edges, but results are stored for nodes
             for e in self.mesh.edges:
                 a_current_pos = e.A.get_pos()
@@ -1189,9 +1190,7 @@ def elastic_forces(
         if (el_forces[1] == 1) or (el_forces[5] == 1) or (
                 f_metric[1] == 1) or (f_metric[5] == 1):
             # initialize list
-            bending_forces_list = []
-            for p in self.mesh.points:
-                bending_forces_list.append([0.0, 0.0, 0.0])
+            bending_forces_list = np.zeros((self.mesh.points, 3))
             # calculation uses bending incidences, but results are stored for
             # nodes
             for angle in self.mesh.angles:
@@ -1229,9 +1228,7 @@ def elastic_forces(
         if (el_forces[2] == 1) or (el_forces[5] == 1) or (
                 f_metric[2] == 1) or (f_metric[5] == 1):
             # initialize list
-            local_area_forces_list = []
-            for p in self.mesh.points:
-                local_area_forces_list.append([0.0, 0.0, 0.0])
+            local_area_forces_list = np.zeros((self.mesh.points, 3))
             # calculation uses triangles, but results are stored for nodes
             for t in self.mesh.triangles:
                 a_current_pos = t.A.get_pos()
@@ -1266,7 +1263,7 @@ def elastic_forces(
                 f_metric[3] == 1) or (f_metric[5] == 1):
             # initialize list
             global_area_forces_list = []
-            for p in self.mesh.points:
+            for _ in self.mesh.points:
                 global_area_forces_list.append([0.0, 0.0, 0.0])
             # calculation uses triangles, but results are stored for nodes
             for t in self.mesh.triangles:
@@ -1297,9 +1294,7 @@ def elastic_forces(
         if (el_forces[4] == 1) or (el_forces[5] == 1) or (
                 f_metric[4] == 1) or (f_metric[5] == 1):
             # initialize list
-            volume_forces_list = []
-            for p in self.mesh.points:
-                volume_forces_list.append([0.0, 0.0, 0.0])
+            volume_forces_list = np.zeros((self.mesh.points, 3))
             # calculation uses triangles, but results are stored for nodes
             for t in self.mesh.triangles:
                 a_current_pos = t.A.get_pos()