schrodinger.application.desmond.cwidget module

Widgets used mainly in Desmond and MCPRO+ panels.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.desmond.cwidget.AdvLabel(text, parent, max_height=None)

Bases: PyQt5.QtWidgets.QLabel

A mutli-line label with small, bold text.

class schrodinger.application.desmond.cwidget.CpuValidator(parent)

Bases: PyQt5.QtGui.QIntValidator

validate(value, pos)

See PyQt documentation for argument and return value documentation.

class schrodinger.application.desmond.cwidget.EntryField(parent, label_text, initial_text='')

Bases: PyQt5.QtWidgets.QWidget

A special composite widget which contains a labeled line edit field.

hasAcceptableInput()
setText(text)

Set the text for the QLineEdit part of the entry field

setValidator(validator)
text()

Returns the text for the QLineEdit part of the entry field

class schrodinger.application.desmond.cwidget.FileEntry(parent, label_text, fdlg_title, fdlg_ftypes, initial_dir='', command=None)

Bases: PyQt5.QtWidgets.QWidget

Class combining a QLabel, QLineEdit, and a QPushButton (Browse…).

browse()

Called when the user clicks on the Browse button

pathModified()

Called when the selected file path is modified.

setText(value)

Set the value of the entry field.

text()

Get the value of the entry field.

class schrodinger.application.desmond.cwidget.StartDialog1(master, has_detail=True, title='', jobname='', cpu_top=[1, 1, 1], set_detail=None, n_replica=1)

Bases: schrodinger.application.desmond.cwidget.StartDialogBase

enableCpu(should_enable)
getCpus()
getHost(should_be_stripped=True)
getJobname()
getMasterjobHost()
getMaxjob()
getSubjobHost()
setInfo(text)
setJobname(jobname)
setReplica(n)
class schrodinger.application.desmond.cwidget.StartDialog2(master, has_detail=True, title='', jobname='', cpu_top=[1, 1, 1], set_detail=None, n_replica=1)

Bases: schrodinger.application.desmond.cwidget.StartDialogBase

enableCpu(should_enable=True)
getCpus()
getHost(should_be_stripped=True)
getJobname()
getMasterjobHost()
getMaxjob()
getSubjobHost(should_be_stripped=True)
setInfo(text)
setJobname(jobname)
setReplica(n)
class schrodinger.application.desmond.cwidget.StartDialogBase(master, title)

Bases: PyQt5.QtWidgets.QDialog

activate()

Display the dialog and return the dialog parameters as as StartDialogParam object. If the dialog was cancelled then return None

setup(widgets)