pele.gui.graph_viewer#

class pele.gui.graph_viewer.ShowPathAction[source]

Source

class ShowPathAction(QtWidgets.QAction):

this action will show the minimum energy path to minimum1

class pele.gui.graph_viewer.ColorByCommittorAction[source]

Source

class ColorByCommittorAction(QtWidgets.QAction):

this action will color the graph by committor probabilities

GraphViewWidget.make_graph_from()[source]

Source

def make_graph_from(self, minima, cutoff=1):

rebuild the graph using only the passed minima and those in self.from_minima

GraphViewWidget.make_graph()[source]

Source

def make_graph(self, database=None, minima=None):

build an nx graph from the database

GraphViewWidget.show_graph()[source]

Source

def show_graph(self, fixed=False, show_ids=True):

draw the graph