schrodinger.application.jaguar.gui.tabs.reaction_tab module¶
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class
schrodinger.application.jaguar.gui.tabs.reaction_tab.
ParticipantView
(parent, scene, item)¶ Bases:
schrodinger.ui.qt.structure2d.structure_view
This class is a subclass of a QGraphicsView that holds a single structure_item, to display a single 2D structure. This handles all interactions with the widget displayed in the panel.
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DELETE_TXT
= 'Delete structure'¶
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DRAW_TXT
= 'Sketch...'¶
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FILE_IMPORT_TXT
= 'Import from file...'¶
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PT_IMPORT_TXT
= 'Import from Project Table...'¶
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addToWorkspace
()¶ This includes the entry for this participant, leaving other current entries in the workspace as well (used with tiling).
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deleteParticipant
¶
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error
¶
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mousePressEvent
(event)¶ Override default Qt function to show context menu
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processContextAction
(action)¶ This loads data from the context menu, if requested
Parameters: action (QAction) – The action clicked on from the menu
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setAsWorkspace
()¶ This replaces the current workspace with only the entry for this participant.
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structureChanged
¶
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class
schrodinger.application.jaguar.gui.tabs.reaction_tab.
ReactionParticipant
(parent, name, plus_item=None)¶ Bases:
PyQt5.QtCore.QObject
This class holds all the information for each participant in the reaction, be it reactant or product. It also contains the drawing objects.
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addToWorkspace
()¶ Convenience wrapper
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getStructure
()¶ Get the structure for this participant
Returns: The structure Return type: schrodinger.structure.Structure
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pt_entry_id
¶
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regeneratePicture
()¶ This regenerates the 2D picture if the underlying structure has been edited inside the workspace.
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structureChanged
¶
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class
schrodinger.application.jaguar.gui.tabs.reaction_tab.
ReactionTab
(parent, input_selector=None)¶ Bases:
schrodinger.application.jaguar.gui.tabs.base_tab.ProvidesStructuresMixin
,schrodinger.application.jaguar.gui.tabs.base_tab.BaseTab
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HELP_TOPIC
= 'JAGUAR_REACTION_TAB'¶
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NAME
= 'Reaction'¶
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UI_MODULES
= (<module 'schrodinger.application.jaguar.gui.ui.reaction_tab_ui' from '/scr/buildbot/savedbuilds/2017-4/NB/build-152/internal/lib/python2.7/site-packages/schrodinger/application/jaguar/gui/ui/reaction_tab_ui.pyc'>,)¶
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addProduct
()¶
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addReactant
()¶
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error
(err)¶
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getStructureTitleForJobname
()¶
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participants
¶
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projectClosed
()¶ This function is called when the project is closed. In this case we reset tab since we don’t know whether participants came from the project table or were imported from file.
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reactionParticipantAdded
¶
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reactionParticipantRemoved
¶
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reactionParticipantStructChanged
¶
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removeParticipant
(participant)¶ This removes a participant from the GUI
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reset
()¶
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setup
()¶
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tileParticipants
()¶ This places all current participants in the workspace in tiles
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validate
()¶
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workspaceChanged
(change, pt)¶ This function is called when changes are made to the workspace.
Parameters: - change (str) – what changed in workspace
- pt (
schrodinger.project.Project
) – currently active project table
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