handles missing velocity, still need to interpolate values

BradyAJohnston · Nov 25, 2024 · 7223bf7 · 7223bf7
1 parent 4d0b001
commit 7223bf7
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Showing 2 changed files with 10 additions and 4 deletions.
diff --git a/molecularnodes/entities/trajectory/dna.py b/molecularnodes/entities/trajectory/dna.py
@@ -66,9 +66,12 @@ def _update_positions(self, frame: int) -> None:
 
     def _update_timestep_values(self):
         for name in self._att_names:
-            self.store_named_attribute(
-                self.universe.trajectory.ts.data[name] * self.world_scale, name=name
-            )
+            try:
+                self.store_named_attribute(
+                    self.universe.trajectory.ts.data[name] * self.world_scale, name=name
+                )
+            except KeyError:
+                pass
 
 
 def load(top, traj, name="oxDNA", setup_nodes=True, world_scale=0.01):

diff --git a/molecularnodes/entities/trajectory/oxdna/OXDNAReader.py b/molecularnodes/entities/trajectory/oxdna/OXDNAReader.py
@@ -77,7 +77,10 @@ def _read_frame(self, frame):
         for i, name in enumerate(
             ("base_vector", "base_normal", "velocity", "angular_velocity")
         ):
-            cols = np.arange(3) + 3 * (i + 1)
+            starting_column = 3 * (i + 1)
+            if starting_column >= array.shape[1]:
+                continue
+            cols = np.arange(3) + starting_column
             self.ts.data[name] = array[:, cols]
         self.ts.frame = frame