schrodinger.application.jaguar.gui.tabs.reaction_tab module

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.

DELETE_TXT = 'Delete structure'
DRAW_TXT = 'Sketch...'
FILE_IMPORT_TXT = 'Import from file...'
PT_IMPORT_TXT = 'Import from Project Table...'
addToWorkspace()

This includes the entry for this participant, leaving other current entries in the workspace as well (used with tiling).

deleteParticipant
error
mousePressEvent(event)

Override default Qt function to show context menu

processContextAction(action)

This loads data from the context menu, if requested

Parameters:action (QAction) – The action clicked on from the menu
setAsWorkspace()

This replaces the current workspace with only the entry for this participant.

structureChanged
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.

addToWorkspace()

Convenience wrapper

getStructure()

Get the structure for this participant

Returns:The structure
Return type:schrodinger.structure.Structure
pt_entry_id
regeneratePicture()

This regenerates the 2D picture if the underlying structure has been edited inside the workspace.

structureChanged
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

HELP_TOPIC = 'JAGUAR_REACTION_TAB'
NAME = 'Reaction'
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'>,)
addProduct()
addReactant()
error(err)
getStructureTitleForJobname()
participants
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.

reactionParticipantAdded
reactionParticipantRemoved
reactionParticipantStructChanged
removeParticipant(participant)

This removes a participant from the GUI

reset()
setup()
tileParticipants()

This places all current participants in the workspace in tiles

validate()
workspaceChanged(change, pt)

This function is called when changes are made to the workspace.

Parameters: