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nglviewer · Dec 3, 2024 · 88e3d01 · 88e3d01
1 parent 0c963e1
commit 88e3d01
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Showing 3 changed files with 22 additions and 81 deletions.
diff --git a/nglview/widget.py b/nglview/widget.py
@@ -144,6 +144,7 @@ def __init__(self, **kwargs):
         self._handle_msg_thread = threading.Thread(target=self.on_msg, args=(self._handle_custom_widget_msg,))
         self._handle_msg_thread.daemon = True
         self._handle_msg_thread.start()
+        self._state = None
 
     def _handle_custom_widget_msg(self, _, msg, buffers):
         pass
@@ -164,6 +165,9 @@ def _get_remote_call_msg(self, method_name, target='Widget', args=None, kwargs=N
         msg.update(other_kwargs)
         return msg
 
+    def _js(self, code, **kwargs):
+        self._remote_call('executeCode', target='Widget', args=[code], **kwargs)
+
     @observe('loaded')
     def on_loaded(self, change):
         if change['new']:
@@ -184,6 +188,21 @@ def _thread_run(self, func, *args):
     def _wait_until_finished(self, timeout=0.0001):
         pass
 
+    @observe('frame')
+    def _on_frame_changed(self, change):
+        """set and send coordinates at current frame
+        """
+        self._set_coordinates(change['new'])
+
+    def render_image(self):
+        image = widgets.Image()
+        self._js(f"this.exportImage('{image.model_id}')")
+        # image.value will be updated in _handle_custom_widget_msg
+        return image
+
+    def handle_resize(self):
+        self._js("this.plugin.handleResize()")
+
 
 class NGLWidget(BaseWidget):
     _view_name = Unicode("NGLView").tag(sync=True)

diff --git a/nglview/widget_molstar.py b/nglview/widget_molstar.py
@@ -38,30 +38,6 @@ def __init__(self):
         self._trajlist = []
         self._callbacks_before_loaded = []
         self._event = threading.Event()
-        self._state = None
-
-    def render_image(self):
-        image = widgets.Image()
-        self._js(f"this.exportImage('{image.model_id}')")
-        # image.value will be updated in _handle_custom_widget_msg
-        return image
-
-    def handle_resize(self):
-        self._js("this.plugin.handleResize()")
-
-    @observe('loaded')
-    def on_loaded(self, change):
-        if change['new']:
-            self._fire_callbacks(self._callbacks_before_loaded)
-
-    def _wait_until_finished(self, timeout=0.0001):
-        # FIXME: dummy for now
-        pass
-
-    def _load_structure_data(self, data: str, format: str = 'pdb', preset="default"):
-        self._remote_call("loadStructureFromData",
-                          target="Widget",
-                          args=[data, format, preset])
 
     def _handle_custom_widget_msg(self, widget, msg, buffers):
         msg_type = msg.get("type")
@@ -81,60 +57,6 @@ def _handle_custom_widget_msg(self, widget, msg, buffers):
         elif msg_type == 'getCamera':
             self._molcamera = data
 
-    def render_image(self):
-        image = widgets.Image()
-        self._js(f"this.exportImage('{image.model_id}')")
-        # image.value will be updated in _molview_handle_message
-        return image
-
-    def _js(self, code, **kwargs):
-        # nglview code
-        self._remote_call('executeCode',
-                          target='Widget',
-                          args=[code],
-                          **kwargs)
-
-    def _remote_call(self,
-                     method_name,
-                     target='Widget',
-                     args=None,
-                     kwargs=None,
-                     **other_kwargs):
-
-        # adapted from nglview
-        msg = self._get_remote_call_msg(method_name,
-                                        target=target,
-                                        args=args,
-                                        kwargs=kwargs,
-                                        **other_kwargs)
-        def callback(widget, msg=msg):
-            widget.send(msg)
-
-        callback._method_name = method_name
-        callback._msg = msg
-
-        if self.loaded:
-            self._remote_call_thread.q.append(callback)
-        else:
-            # send later
-            # all callbacks will be called right after widget is loaded
-            self._callbacks_before_loaded.append(callback)
-
-    def _get_remote_call_msg(self,
-                             method_name,
-                             target='Widget',
-                             args=None,
-                             kwargs=None,
-                             **other_kwargs):
-        # adapted from nglview
-        msg = {}
-        msg['target'] = target
-        msg['type'] = 'call_method'
-        msg['methodName'] = method_name
-        msg['args'] = args
-        msg['kwargs'] = kwargs
-        return msg
-
     def add_trajectory(self, trajectory):
         self._load_structure_data(trajectory.get_structure_string(),
                                   'pdb')  # FIXME

diff --git a/notebooks/gui.ipynb b/notebooks/gui.ipynb
@@ -17,7 +17,7 @@
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "42bb11fe3851422d9dce75d8f5275a47",
+       "model_id": "12c6840cc52e496d8afec6191657f56a",
        "version_major": 2,
        "version_minor": 0
       },
@@ -29,7 +29,7 @@
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "bb3b67e8b81741ea8197aa725561be11",
+       "model_id": "c000b83609f540d68da5ad2e56d6e3ef",
        "version_major": 2,
        "version_minor": 0
       },
@@ -43,7 +43,7 @@
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "ed471be3289c41999a87041a7aa12fab",
+       "model_id": "8ca0393e225b4b99a74443dcae364368",
        "version_major": 2,
        "version_minor": 0
       },