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

Class StructureFrame

PyQt4.QtGui.QFrame --+
                     |
                    StructureFrame

A QFrame that contains a 2D image of a structure. This also creates a QListWidget that is coordinated with the 2D image. This is the base class for both the Reference and Comparison structures.

Instance Methods

[hide private]

__init__(self, master, structure_layout, list_layout, struct=None, mytype=COMPARISON)
Create a StructureFrame instance

setLabel(self, guessing=False)
Set the label that describes what the user should do

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

highlightAtom(self, index, guess=False)
Highlight the given atom

unmapAtom(self, index)
Mark an atom as unmapped

reset(self, reset_structure=True)
Reset to a blank frame, or remove any mapping but keep the structure

bool

isValidAtomIndex(self, index)
Check if this index is a valid atom index for the loaded structure

Method Details

[hide private]

init(self, master, structure_layout, list_layout, struct=None, mytype=COMPARISON)
(Constructor)

Create a StructureFrame instance

Parameters:

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

setLabel(self, guessing=False)

Set the label that describes what the user should do

Parameters:

guessing (bool) - True if there is currently a guess in place, False if not.

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

highlightAtom(self, index, guess=False)

Highlight the given atom

Parameters:

index (int) - The atom index to highlight
guess (bool) - True if this atom is marked by a guess, False if it was marked by the user. The background color used depends on this parameter.

unmapAtom(self, index)

Mark an atom as unmapped

Parameters:

index (int) - The atom index to mark

reset(self, reset_structure=True)

Reset to a blank frame, or remove any mapping but keep the structure

Parameters:

reset_structure - True if the structure should be reset, False if it should be kept
reset_structures (bool)

isValidAtomIndex(self, index)

Check if this index is a valid atom index for the loaded structure

Parameters:

index (int) - The atom index to check

Returns: bool

True 0 < index <= atom_total, False otherwise

Class StructureFrame

__init__(self, master, structure_layout, list_layout, struct=None, mytype=COMPARISON) (Constructor)

setLabel(self, guessing=False)

setStructure(self, struct)

highlightAtom(self, index, guess=False)

unmapAtom(self, index)

reset(self, reset_structure=True)

isValidAtomIndex(self, index)

init(self, master, structure_layout, list_layout, struct=None, mytype=COMPARISON)
(Constructor)