Package schrodinger :: Package application :: Package matsci :: Module reordergui :: Class ReferenceFrame

Class ReferenceFrame

PyQt4.QtGui.QFrame --+    
                     |    
        StructureFrame --+
                         |
                        ReferenceFrame

The StructureFrame for the Reference structure

Instance Methods

[hide private]

__init__(self, *args, **kwargs)
Create a ReferenceFrame object.

setStructure(self, struct)
Set the structure for this frame.

mapAtom(self, ref_index, advance=True, guess=False)
Map the given atom index in the comparison structure to the given atom index in the reference structure.

advanceSelection(self, index)
Move the selection to the next unmapped atom with a higher index.

int

selectedIndex(self)
Get the index of the currently selected atom

Inherited from StructureFrame: highlightAtom, isValidAtomIndex, reset, setLabel, unmapAtom

Method Details

[hide private]

init(self, *args, **kwargs)
(Constructor)

Create a ReferenceFrame object. Parameters are described in the StructureFrame class

Parameters:

master - The master Frame for this widget
structure_layout - The layout to add this widget to.
list_layout - The layout to add the associated ListWidget to.
struct - The structure for this frame
mytype - Either REFERENCE or COMPARISON, the type of structure this Frame applies to.

Overrides: StructureFrame.__init__

setStructure(self, struct)

Set the structure for this frame. Updates the image and the list widget

Parameters:

struct (schrodinger.structure.Structure) - The structure for this frame

Overrides: StructureFrame.setStructure

mapAtom(self, ref_index, advance=True, guess=False)

Map the given atom index in the comparison structure to the given atom index in the reference structure.

Parameters:

ref_index (int) - The atom index of the reference molecule
advance (bool) - Whether to advance the selected atom or not. The selection will automatically be advanced if ref_index is the currently selected atom regardless of this setting.

advanceSelection(self, index)

Move the selection to the next unmapped atom with a higher index. If none exist, start checking again at atom 1.

Parameters:

index (int) - Start search for unmapped atoms with indexes higher than this number

selectedIndex(self)

Get the index of the currently selected atom

Returns: int: The index of the selected Reference atom

Class ReferenceFrame

__init__(self, *args, **kwargs) (Constructor)

setStructure(self, struct)

mapAtom(self, ref_index, advance=True, guess=False)

advanceSelection(self, index)

selectedIndex(self)

init(self, *args, **kwargs)
(Constructor)