def get_save_permission(message,
file_path=None,
title='Permission',
parent=None):
"""
Shows a save path message box
:param message: str, message to show to the user
:param file_path: str, path you want to save
:param title: str, title of the window
:param parent: QWidget
:return: bool
"""
message_box = QMessageBox()
message_box.setWindowTitle(title)
flags = message_box.windowFlags(
) ^ Qt.WindowContextHelpButtonHint | Qt.WindowStaysOnTopHint
if file_path:
path_message = 'Path: {}'.format(file_path)
message_box.setInformativeText(path_message)
message_box.setWindowFlags(flags)
save = message_box.addButton('Save', QMessageBox.YesRole)
no_save = message_box.addButton('Do not save', QMessageBox.NoRole)
cancel = message_box.addButton('Cancel', QMessageBox.RejectRole)
message_box.exec_()
if message_box.clickedButton() == save:
return True
elif message_box.clickedButton() == no_save:
return False
elif message_box.clickedButton() == cancel:
return None
return None
def failed_template_warning(residue):
'''
Warning dialog handling the case where a template is not recognised by
OpenMM when attempting to start a simulation.
'''
from Qt.QtWidgets import QMessageBox, QPushButton
msg = QMessageBox()
msg.setIcon(QMessageBox.Warning)
msgtext = 'Residue {} {} of chain {} (shown) does not match any template'\
+ ' in the molecular dynamics database. It may be missing atoms (have'\
+ ' you added hydrogens?) or be an unusual residue that has not been'\
+ ' parameterised. Choose what you wish to do with it from the options'\
+ ' below.'
msg.setText(msgtext.format(residue.name, residue.number, residue.chain_id))
addh = QPushButton('Add hydrogens and retry')
msg.addButton(addh, QMessageBox.AcceptRole)
exclude = QPushButton('Exclude residue from simulations and retry')
msg.addButton(exclude, QMessageBox.RejectRole)
abort = QPushButton('Abort')
msg.addButton(abort, QMessageBox.NoRole)
msg.exec_()
btn = msg.clickedButton()
# print("Button: {}".format(btn))
if btn == addh:
return "addh"
if btn == exclude:
return "exclude"
return "abort"
