schrodinger.ui.qt.forcefield.metals_forcefield_gui_dir.tasks module

class schrodinger.ui.qt.forcefield.metals_forcefield_gui_dir.tasks.MetalsForcefieldTask(*args, _param_type=<object object>, **kwargs)

Bases: SubprocessCmdTask

Task to analyze input structures and determine if the Metals force field can be applied.

DEFAULT_TASKDIR_SETTING = 2
class Input(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

fpath: TaskFile

A parameter of the class.

custom_opls_dir: TaskFolder

A parameter of the class.

custom_opls_dirChanged

A pyqtSignal emitted by instances of the class.

custom_opls_dirReplaced

A pyqtSignal emitted by instances of the class.

fpathChanged

A pyqtSignal emitted by instances of the class.

fpathReplaced

A pyqtSignal emitted by instances of the class.

class Output(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

fpath: TaskFile

A parameter of the class.

fpathChanged

A pyqtSignal emitted by instances of the class.

fpathReplaced

A pyqtSignal emitted by instances of the class.

makeCmd()
calling_contextChanged

A pyqtSignal emitted by instances of the class.

calling_contextReplaced

A pyqtSignal emitted by instances of the class.

failure_infoChanged

A pyqtSignal emitted by instances of the class.

failure_infoReplaced

A pyqtSignal emitted by instances of the class.

input: CompoundParam

A parameter of the class.

inputChanged

A pyqtSignal emitted by instances of the class.

inputReplaced

A pyqtSignal emitted by instances of the class.

max_progressChanged

A pyqtSignal emitted by instances of the class.

max_progressReplaced

A pyqtSignal emitted by instances of the class.

nameChanged

A pyqtSignal emitted by instances of the class.

nameReplaced

A pyqtSignal emitted by instances of the class.

output: CompoundParam

A parameter of the class.

outputChanged

A pyqtSignal emitted by instances of the class.

outputReplaced

A pyqtSignal emitted by instances of the class.

progressChanged

A pyqtSignal emitted by instances of the class.

progressReplaced

A pyqtSignal emitted by instances of the class.

progress_stringChanged

A pyqtSignal emitted by instances of the class.

progress_stringReplaced

A pyqtSignal emitted by instances of the class.

statusChanged

A pyqtSignal emitted by instances of the class.

statusReplaced

A pyqtSignal emitted by instances of the class.