pele.gui.connect_all

class pele.gui.connect_all.ConnectAllDialog

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class ConnectAllDialog(ConnectViewer):

define the Connect All dialog

This class manages connecting minima in the database. It selects which minima to connect and submits the job in a separate process. It deals with any messages (such as new minima and transition states) sent from that process. When the process ends it starts a new one.

ConnectAllDialog.do_one_connection()

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def do_one_connection(self, min1, min2):

start one connect job with the given minima

ConnectAllDialog.do_next_connect()

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def do_next_connect(self):

do another connect job

ConnectAllDialog.start()

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def start(self):

this is called to start submitting jobs again

ConnectAllDialog.update_energy_view()

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def update_energy_view(self):

plot the energies

ConnectAllDialog.update_graph_view()

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def update_graph_view(self):

show the graph view

ConnectAllDialog.update_3D_view()

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def update_3D_view(self):

show the smoothed path in the ogl viewer

ConnectAllDialog.update_dgraph_view()

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def update_dgraph_view(self):

update the disconnectivity graph

ConnectAllDialog.update_summary_view()

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def update_summary_view(self):

update the summary text