schrodinger.models.presets module

class schrodinger.models.presets.Direction(value, names=None, *, module=None, qualname=None, type=None, start=1, boundary=None)

Bases: enum.Enum

UP = -1

DOWN = 1

class schrodinger.models.presets.PanelPreset(*args, _param_type=<object object>, **kwargs)

Bases: schrodinger.models.parameters.CompoundParam

serialized_panel: str

Base class for all Param classes. A Param is a descriptor for storing data, which means that a single Param instance will manage the data values for multiple instances of the class that owns it. Example:

class Coord(CompoundParam):
    x: int
    y: int

An instance of the Coord class can be created normally, and Params can be accessed as normal attributes:

coord = Coord()
coord.x = 4

When a Param value is set, the valueChanged signal is emitted. Params can be serialized and deserialized to and from JSON. Params can also be nested:

class Atom(CompoundParam):
    coord: Coord
    element: str

serialized_panelChanged

pyqtSignal(*types, name: str = …, revision: int = …, arguments: Sequence = …) -> PYQT_SIGNAL

types is normally a sequence of individual types. Each type is either a type object or a string that is the name of a C++ type. Alternatively each type could itself be a sequence of types each describing a different overloaded signal. name is the optional C++ name of the signal. If it is not specified then the name of the class attribute that is bound to the signal is used. revision is the optional revision of the signal that is exported to QML. If it is not specified then 0 is used. arguments is the optional sequence of the names of the signal’s arguments.

serialized_panelReplaced

pyqtSignal(*types, name: str = …, revision: int = …, arguments: Sequence = …) -> PYQT_SIGNAL

types is normally a sequence of individual types. Each type is either a type object or a string that is the name of a C++ type. Alternatively each type could itself be a sequence of types each describing a different overloaded signal. name is the optional C++ name of the signal. If it is not specified then the name of the class attribute that is bound to the signal is used. revision is the optional revision of the signal that is exported to QML. If it is not specified then 0 is used. arguments is the optional sequence of the names of the signal’s arguments.

class schrodinger.models.presets.PresetManager(panel_name, model_class=None)

Bases: object

__init__(panel_name, model_class=None)

model_class = None

defineInputParams()

defineIgnoredParams()

savePreset(name: str, model: schrodinger.models.parameters.CompoundParam)

savePresetToFile(fname: str, model: schrodinger.models.parameters.CompoundParam)

exportPresets(export_fname: str)

Exports all presets to an option file at export_fname.

importPresets(import_fname: str, model: schrodinger.models.parameters.CompoundParam)

Imports presets from an option file at import_fname. :raises JSONDecodeError: the opts file is not valid JSON or correct class data

loadPreset(name: str, model: schrodinger.models.parameters.CompoundParam)

loadPresetFromFile(fname: str, model: schrodinger.models.parameters.CompoundParam)

deletePreset(name)

setDefaultPreset(name)

loadDefaultPreset(model)

getAvailablePresets()

getDefaultPreset()

clearDefaultPreset()

movePreset(name, direction)

class schrodinger.models.presets.TaskPanelPresetManager(panel_name, model_class, panel_tasks)

Bases: schrodinger.models.presets.PresetManager

A subclass of PresetManager that ignores the name and job config for tasks. The tasks are specified with the panel_tasks constructor argument which expects a list of abstract params of tasks on model_class.

__init__(panel_name, model_class, panel_tasks)

defineIgnoredParams()