jupyter_utils.py 文件源码

def enable_chimera_inline():
    """
    Enable IPython magic commands to run some Chimera actions

    Currently supported:
    - %chimera_export_3D [<model>]: 
        Depicts the Chimera 3D canvas in a WebGL iframe. Requires
        a headless Chimera build and a Notebook instance. SLOW.
    - %chimera_run <command>:
        Runs Chimera commands meant to be input in the GUI command line
    """

    from IPython.display import IFrame
    from IPython.core.magic import register_line_magic
    import chimera
    import Midas

    @register_line_magic
    def chimera_export_3D(line):
        if chimera.viewer.__class__.__name__ == 'NoGuiViewer':
            print('This magic requires a headless Chimera build. '
                  'Check http://www.cgl.ucsf.edu/chimera/download.html#unsupported.',
                  file=sys.stderr)
            return
        models = eval(line) if line else []

        def html(*models):
            if models:
                for m in chimera.openModels.list():
                    m.display = False
                chimera.selection.clearCurrent()
                for model in models:
                    model.display = True
                    chimera.selection.addCurrent(model)
                    chimera.runCommand('focus sel')
            chimera.viewer.windowSize = 800, 600
            path = 'chimera_scene_export.html'
            Midas.export(filename=path, format='WebGL')
            return IFrame(path, *[x + 20 for x in chimera.viewer.windowSize])
        return html(*models)
    del chimera_export_3D

    @register_line_magic
    def chimera_run(line):
        if not line:
            print("Usage: %chimera_run <chimera command>", file=sys.stderr)
            return
        chimera.runCommand(line)
    del chimera_run