Package schrodinger :: Package application :: Package matsci :: Module mswidgets

Module mswidgets

Contains widgets that are useful in MatSci panels.

Classes

CompactSolventSelector
A single line of widgets that displays the currently chosen solvent and a button that will open a dialog allowing a new solvent model/solvent choice.

SolventDialog
A Dialog that allows the user to pick a solvent model, solvent and parameters.

EmbeddedSolventWidget
A master widget that contains the widgets from the Jaguar Solvation tab and is convenient to use outside the Jaguar gui environment.

WheelEventFilterer
An event filter that turns off wheel events for the affected widget

StageFrame
The base frame for a stage in a MultiStageArea

MultiStageArea
A scrollable frame meant to hold multiple stages.

StageControlButton
The QToolButtons on the right of each StageFrame

Divider
A raised divider line

SaveDesmondFilesWidget
Standardized checkbox with combo to provide options for saving intermediate Desmond job files.

Functions

[hide private]

add_desmond_ms_logo(layout)
Add a Desmond D.

str

sub_formula(formula)
Add <sub></sub> tags around numbers.

turn_off_unwanted_wheel_events(widget, combobox=True, spinbox=True, others=None)
Turns off the mouse wheel event for any of the specified widget types that are a child of widget

Variables

[hide private]

__doc__ = ...

NO_SOLVENT = 'None'

SOLVENT_KEY = 'solvent'

MODEL_KEY = 'isolv'

DOWN = 'down'

UP = 'up'

CLOSE = 'close'

OPEN = 'open'

DELETE = 'delete'

COPY = 'copy'

SAVE_COMBO_OPTIONS = OrderedDict([('CMS files', 'cms'), ('CMS ...

NUM_RE = re.compile(r'(\d+)')

__package__ = 'schrodinger.application.matsci'

Function Details

[hide private]

add_desmond_ms_logo(layout)

Add a Desmond D. E. Shaw logo on the left and a MatSci logo on the right

Parameters:

layout (QBoxLayout) - The layout to add the logos to

sub_formula(formula)

Add <sub></sub> tags around numbers. Can be used to prettify unit cell formula.

Parameters:

formula (str) - Formula to add tags around numbers

Returns: str

Formula with tags added

turn_off_unwanted_wheel_events(widget, combobox=True, spinbox=True, others=None)

Turns off the mouse wheel event for any of the specified widget types that are a child of widget

Note: The mouse wheel will still scroll an open pop-up options list for a combobox if the list opens too large for the screen. Only mouse wheel events when the combobox is closed are ignored.

Parameters:

widget (QtWidgets.QWidget) - The widget to search for child widgets
combobox (bool) - True if comboboxes should be affected
spinbox (bool) - True if spinboxes (int and double) should be affected
others (list) - A list of other widget classes that should be affected

Variables Details

[hide private]

doc

Value:

"""
Contains widgets that are useful in MatSci panels.

Copyright Schrodinger, LLC. All rights reserved.
"""

SAVE_COMBO_OPTIONS

Value:

OrderedDict([('CMS files', 'cms'), ('CMS and trajectory archive', 'trj
')])