MsSpecSpectroscopyMasterclass/Activity01/myviewer.py

23 lines
597 B
Python

import sys
from ase.io import read
from msspec.msspecgui.msspec.gui.clusterviewer import ClusterViewer
import wx
def view(cluster):
cluster.info['absorber'] = cluster.emitter
app = wx.App(False)
win = wx.Frame(None, size=wx.Size(480, 340))
cluster_viewer = ClusterViewer(win, size=wx.Size(480,340))
cluster_viewer.set_atoms(cluster, rescale=True, center=True)
cluster_viewer.rotate_atoms(0.,180.)
cluster_viewer.rotate_atoms(-45., 45.)
win.Show()
app.MainLoop()
if __name__ == "__main__":
fname = sys.argv[1]
cluster = read(fname)
view(cluster)