Package schrodinger :: Package application :: Package canvas :: Module fingerprintgui :: Class CanvasFingerprintGeneratorGUI

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Class CanvasFingerprintGeneratorGUI

                            object --+    
                                     |    
fingerprint.CanvasFingerprintGenerator --+
                                         |
                                        CanvasFingerprintGeneratorGUI

A subclass of the canvas fingerprint generator which is to be used from a program with a TKInter interface. This class has methods for creating a component which displays all the fingerprint generation options and takes care of managing the internal state

Instance Methods

__init__(self, logger, default_type='Linear')
x.__init__(...) initializes x; see help(type(x)) for signature

getGUI(self)
Returns a GUI component which displays the fingerprint generation options

bitCB(self, value)
A callback function for the Bitsize radio buttons

atomTypingCB(self, row)
Called when the atom typing selection changes

FPTypeCB(self, fp_type)
A callback for the fingerprint type.

resetfp(self)
Allow reset of the fingerprint generator between cluster calculations.

Inherited from fingerprint.CanvasFingerprintGenerator: __del__, close, debug, generate, getCurrentAtomBondTyping, getCurrentType, getDefaultAtomTypingScheme, getDescription, getPrecision, open, setAtomBondTyping, setPrecision, setType, write

Inherited from fingerprint.CanvasFingerprintGenerator (private): _getFingerprinter

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables

Inherited from fingerprint.CanvasFingerprintGenerator: ATOM_TYPING_SCHEMES, DEFAULT_ATOM_TYPING_SCHEMES, FINGERPRINT_TYPES, PRECISION, SHORT_FINGERPRINT_TYPES

Properties

Inherited from object: __class__

Method Details

init(self, logger, default_type=`'Linear'`)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__: (inherited documentation)

bitCB(self, value)

A callback function for the Bitsize radio buttons

Parameters:

value (unused) - unused

atomTypingCB(self, row)

Called when the atom typing selection changes

Parameters:

row (int) - the row of the listwidget that was selected

FPTypeCB(self, fp_type)

A callback for the fingerprint type. Sets the default option in the list of atom typing schemes based on the fingerprint type

Parameters:

fp_type (str) - the text selected in the combobox

resetfp(self)

Allow reset of the fingerprint generator between cluster calculations.

See EV:91489 and 101763