From db2cc623373bc5aa67582a4ee2cbed69abd599b6 Mon Sep 17 00:00:00 2001
From: AndresOrtegaGuerrero <oandresg15@gmail.com>
Date: Tue, 29 Oct 2024 12:58:35 +0000
Subject: [PATCH] upgrade weas_widget version

---
 pyproject.toml                                |  2 +-
 .../utils/raman/result.py                     | 30 +++++++++++--------
 2 files changed, 19 insertions(+), 13 deletions(-)

diff --git a/pyproject.toml b/pyproject.toml
index cf92895..dfde138 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -25,7 +25,7 @@ dependencies = [
     "pre-commit",
     "euphonic",
     "kaleido",
-    "weas-widget==0.1.5",
+    "weas-widget==0.1.12",
 ]
 
 [tool.ruff.lint]
diff --git a/src/aiidalab_qe_vibroscopy/utils/raman/result.py b/src/aiidalab_qe_vibroscopy/utils/raman/result.py
index fd036e7..832de02 100644
--- a/src/aiidalab_qe_vibroscopy/utils/raman/result.py
+++ b/src/aiidalab_qe_vibroscopy/utils/raman/result.py
@@ -10,7 +10,6 @@
 import json
 
 from weas_widget import WeasWidget
-from weas_widget.utils import generate_phonon_trajectory
 
 from aiida_vibroscopy.utils.broadenings import multilorentz
 
@@ -520,19 +519,26 @@ def _animation_widget(self):
         # Get the structure of the selected mode
         structure = self.structure_ase
 
-        trajectory = generate_phonon_trajectory(
-            atoms=structure,
-            eigenvectors=eigenvector,
-            amplitude=amplitude,
-            repeat=[
+        self.weas = WeasWidget(guiConfig=self.guiConfig)
+        self.weas.from_ase(structure)
+
+        phonon_setting = {
+            "eigenvectors": np.array(
+                [[[real_part, 0] for real_part in row] for row in eigenvector]
+            ),
+            "kpoint": [0, 0, 0],  # optional
+            "amplitude": amplitude,
+            "nframes": 20,
+            "repeat": [
                 self._supercell[0].value,
                 self._supercell[1].value,
                 self._supercell[2].value,
             ],
-        )
-        self.weas = WeasWidget(guiConfig=self.guiConfig)
-        self.weas.from_ase(trajectory)
-        self.weas.avr.vf.settings = [
-            {"origins": "positions", "vectors": "movement", "radius": 0.1}
-        ]
+            "color": "black",
+            "radius": 0.1,
+        }
+        self.weas.avr.phonon_setting = phonon_setting
+
+        self.weas.avr.model_style = 1
+        self.weas.avr.color_type = "JMOL"
         self.weas.avr.vf.show = True