Package schrodinger :: Package application :: Package desmond :: Module fep_scholar_util :: Class ScholarStructureItem

Class ScholarStructureItem

   PyQt4.QtGui.QGraphicsItem --+    
                               |    
ui.qt.structure2d.structure_item --+
                                   |
                                  ScholarStructureItem

This class adds new function to the base structure_item class that allows to show some atoms and bonds with highlighting.

Instance Methods

[hide private]

generatePictureHighlight(self, atoms, bonds, color, gen_coord)
Generates a QPicture of the structure.

Inherited from ui.qt.structure2d.structure_item: __init__, add_annotator, add_annotator_function_return, boundingRect, clear, clear_annotators, generate_picture, getBondAtLocation, mousePressEvent, paint, set_colormap, set_rect, set_structure, set_text

Method Details

[hide private]

generatePictureHighlight(self, atoms, bonds, color, gen_coord)

Generates a QPicture of the structure. This should be called after setting the structure and the accompaning annotators.

Parameters:

atoms (list) - list atom indices that should be highlighted.
bonds (list) - list of bond indices that should be highlighted
color (QtGui.QColor) - highlighting color
gen_coord (bool) - argument indicating whether molecule coordinates should be generated.