schrodinger.maestro_utils.maestro_sync module

class schrodinger.maestro_utils.maestro_sync.BaseMaestroSync(*args, **kwargs)

Bases: object

Basic Maestro synchronization class that can be used as infrastructure for responding to specific events with the Maestro project and Workspace.

Variables:

  • _cb_type_callback_map (set[str, set[Callable]]) – a dictionary mapping callback types to the set of callback functions associated with that type

  • _callbacks_active (bool) – whether the stored callbacks should be registered at this time

__init__(*args, **kwargs)
addProjectUpdateCallback(callback_fn)

Add function to list of “project updated” callbacks.

Parameters:

callback_fn (Callable) – the function to add

addProjectCloseCallback(callback_fn)

Add function to list of “project closed” callbacks.

Parameters:

callback_fn (Callable) – the function to add

addWorkspaceChangeCallback(callback_fn)

Add function to list of “workspace changed” callbacks.

Parameters:

callback_fn (Callable) – the function to add

addHoverCallback(callback_fn)

Add function to list of “hover” callbacks.

Parameters:

callback_fn (Callable) – the function to add. This function should expect to receive a single parameter of type int. The parameter represents the number of the atom which the mouse is currently resting over (or an invalid index if 0—see mm.mmct_valid_atom)

setCallbacksActive(active)

Register or deregister all callbacks. When activating, call all “project updated” callbacks.

Parameters:

active (bool) – whether to register or deregister callbacks with Maestro

suspendCallbacks()

Context manager to temporarily disable Maestro callbacks.

onProjectUpdated()

Callback method for project update events. Should be overridden in concrete subclasses to add functionality.

onProjectClosed()

Callback method for project close events. Should be overridden in concrete subclasses to add functionality.

onWorkspaceChanged(what_changed)

Callback method for workspace change events. Should be overridden in concrete subclasses to add functionality.

Parameters:

what_changed (str) – the kind of change that occurred in the Workspace; will be one of the WORKSPACE_CHANGED_ constants in maestro.py

schrodinger.maestro_utils.maestro_sync.requires_structure_getter(method, self, *args, **kwargs)

Decorator for ProjectEntryMaestroSync methods that raises an exception if the decorated method is called when the structure getter is undefined.

class schrodinger.maestro_utils.maestro_sync.ProjectEntryMaestroSync(parent=None, group_name=None, parent_group_name=None)

Bases: BaseMaestroSync, QObject

Maestro sync class that acts as an interface with project entries.

If the user has a ParamListParam (PLP) or multiple PLPs that they wish to have correspond with entries in the project, they can assign them as the models for one or more of the targets associated with this class:

  1. entry_plp_target: creates and tracks entries associated with

    items in the model PLP. If the user wishes to use any of the subsequent targets, they must first assign a model for this target.

  2. group_plp_target: moves associated entries into an entry group

  3. select_plp_target: selects associated entries

  4. include_plp_target: includes associated entries

In addition to assigning model PLPs to the above targets, the user must also assign a function that can return a structure from a PLP item using the setStructureGetter() method. A simple example would just be:

mae_sync = ProjectEntryMaestroSync()
mae_sync.setStructureGetter(lambda item: item.structure)

Finally, the user may also assign a str model that tracks the title for the entry group created for the group_plp_target model.

Variables:

  • _structure_getter (callable) – the function used to access structure objects from PLP items

  • _st_eid_map (dict[structure.Structure, str]) – a dictionary mapping structures to their corresponding entry IDs

__init__(parent=None, group_name=None, parent_group_name=None)
Parameters:

  • parent (QtCore.QObject) – the parent for this object

  • group_name (str or NoneType) – a custom name for the entry group tracked by group_plp_target

  • parent_group_name (str) – the parent group name for the entry group tracked by group_plp_target, if it is meant to be a subgroup

setStructureGetter(getter)

Assign the function that can be used by the PLP targets on this class to retrieve structure objects from items on the PLP, e.g.

plp = self.entry_plp_target.getPLP()
for item in plp:
    st = self._structure_getter(item)

This getter must be set in order for this class to function.

Parameters:

getter (callable) – a function that will return a structure object from a PLP item

groupName()
Returns:

the entry group name associated with this class

Return type:

str

onProjectUpdated()

Respond to the project updating by searching for entries associated with the project entry PLP. If any have been deleted from the project, remove the associated model PLP items.

class schrodinger.maestro_utils.maestro_sync.PLPTarget(parent=None)

Bases: TargetMixin, QObject

A generic target for a PLP model.

Variables:

PLPMutated (QtCore.pyqtSignal) – a signal that propagates the ParamListParam.mutated signal from the model PLP

PLPMutated

A pyqtSignal emitted by instances of the class.

__init__(parent=None)
targetGetValue()
targetSetValue(value)
getPLP()
Returns:

the PLP model for this target, if one has been defined

Return type:

parameters.ParamListParam or NoneType

setPLP(plp)

Assign a new PLP model.

Raises:

TypeError – if an invalid parameter is supplied

Parameters:

plp (parameters.ParamListParam or NoneType) – a PLP containing structures, or None

class schrodinger.maestro_utils.maestro_sync.TitleTarget(group_manager, parent=None)

Bases: TargetMixin, QObject

Target for managing the title of an entry group via a group manager.

__init__(group_manager, parent=None)
targetGetValue()

See mappers.TargetMixin for full documentation.

Returns:

the current group title

Return type:

str

targetSetValue(value)

See mappers.TargetMixin for full documentation.

Parameters:

value (str) – a new group title