schrodinger.application.desmond.gui.InputGroup

Class InputGroup

object --+ | InputGroup

Group Frame for showing the widgets for loading the system model.

Used by the `GuiApp' class for all panels.

Instance Methods

__init__(self, master, model_changed_callback, allow_checkpoint_files=True, check_infinite=False, reset_parent_on_load=True)
See class docstring.

_analyse_model(self)
Called when a new system is analyzed (from file or Workspace)

_sync_workspace_atom_props(self)
The model associated with this class is always untethered from the WS structure, even if it was loaded from the workspace.

_postprocess_after_importing(self)
Used by all panels to import results.

bool

isInfiniteModel(self)
Is the current model marked as an infinitely bonded model?

_model_source_changed(self, index=None)
Used by all panels to update the model source.

_import_from_workspace(self)
Used by all panels to import from the workspace

_import_from_workspace_impl(self)

browseSystemFile(self, fname)

_import_from_file_impl(self, fname)

_import_cpt(self, fname)

reset(self)
Resets the input frame to defaults

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

init(self, master, model_changed_callback, allow_checkpoint_files=True, check_infinite=False, reset_parent_on_load=True)
(Constructor)

See class docstring.

Parameters:

master (af2.JobApp object.) - The root or master application
check_infinite (bool) - If a checkbox for infinite systems should be included and if the system should be checked for infinite bonding when loaded
reset_parent_on_load (bool) - Whether or not the InputGroup should call it's parent widget's setDefaults() function when loading a new model system.

Overrides: object.__init__

_sync_workspace_atom_props(self)

The model associated with this class is always untethered from the WS structure, even if it was loaded from the workspace. This function attempts to assign the Desmond "scratch" atom-level properties to the workspace structure based on their values in the model's component CTs.

isInfiniteModel(self)

Is the current model marked as an infinitely bonded model?

Returns: bool: Whether the model is marked as infinitely bonded

Class InputGroup

__init__(self, master, model_changed_callback, allow_checkpoint_files=True, check_infinite=False, reset_parent_on_load=True) (Constructor)

_sync_workspace_atom_props(self)

isInfiniteModel(self)

init(self, master, model_changed_callback, allow_checkpoint_files=True, check_infinite=False, reset_parent_on_load=True)
(Constructor)