fix mda import problems

Chain number was off by 1 when imported from MDA, also removed addition of animate frames node when number of frames was == 1 through MDA import which was showing up as nothing.
BradyAJohnston · Jul 17, 2022 · a061a96 · a061a96
1 parent c40c5b5
commit a061a96
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Showing 4 changed files with 7 additions and 2 deletions.
diff --git a/release/molecular_nodes_0.10.2.zip b/release/molecular_nodes_0.10.2.zip
diff --git a/serpens_plugin_file.blend b/serpens_plugin_file.blend
diff --git a/src/CustomNodes.py b/src/CustomNodes.py
@@ -211,7 +211,11 @@ def create_node_group(node_name, input_list, label_prefix = "Chain "):
 node_name = "MOL_" + str(output_name) + "_selection_chain"
 
 # finally make the selection node!
-create_node_group(node_name, chain_list)
+create_node_group(
+    node_name = node_name, 
+    input_list = chain_list, 
+    label_prefix = "Chain"
+    )
 
 # node = bpy.context.selected_nodes[0]
 # bpy.ops.transform.translate('INVOKE_DEFAULT')
diff --git a/src/mda_test.py b/src/mda_test.py
@@ -269,7 +269,7 @@ def create_prop_AtomicNum_ChainNum_NameNum(univ, name, collection):
         name=name,
         collection=collection,
         prop_x=prop_elem_num,
-        prop_y=prop_chain_num,
+        prop_y=prop_chain_num + 1, # to have the first chain be index from 1
         prop_z=prop_name_num,
         n_atoms=n
     )
@@ -410,6 +410,7 @@ def create_frames(universe, collection, start=1, end=50000, time_step=100, name=
             )
         counter += 1
 
+n_frames = len(u.trajectory)
 
 # create the frames from the given universe, only along the given timesteps
 create_frames(