schrodinger.ui.chooseligand module

class schrodinger.ui.chooseligand.ChooseLigandDialog(parent, complex_st, ligands_list, text=None)

Bases: PyQt5.QtWidgets.QDialog

accept(*args)

getSelectedLigand()

tableViewClicked(idx)

class schrodinger.ui.chooseligand.ChooseLigandModel(parent, allLigands)

Bases: PyQt5.QtCore.QAbstractTableModel

columnCount(parent=<PyQt5.QtCore.QModelIndex object>)

data(idx=<PyQt5.QtCore.QModelIndex object>, role=0)

headerData(section, orient, role=0)

rowCount(parent=<PyQt5.QtCore.QModelIndex object>)

class schrodinger.ui.chooseligand.TestApp

Bases: schrodinger.ui.qt.appframework.AppFramework

Class for testing this module.

command()

schrodinger.ui.chooseligand.choose_ligand(parent, complex_st, text=None)

Given a Structure object and a parent window, ask the user to select a ligand from the complex (if more than one is available).

If no ligands are present, ValueError is raised.

If only one ligand was present, the Ligand instance for it is returned.

If the user selected a ligand, the Ligand instance for that ligand is returned (See schrodinger.structutils.analyze.Ligand)

If the user cancelled the dialog, None is returned.

Parameters:

• parent (QWidget) – Parent for the dialog window.
• complex_st (structure.Structure object) – Receptor/ligand complex structure.
• text (str) – Label to show at the top of the ligands table.

schrodinger.ui.chooseligand.test()