Class ChargeConstraintRow

            object --+    
                     |    
base_widgets.SubTabRow --+
                         |
                        ChargeConstraintRow

Data about a charge constraint setting

Instance Methods

[hide private]

__init__(self, entry_id=None, title=None, charge=None, weights=None)
x.__init__(...) initializes x; see help(type(x)) for signature

updateAtomNames(self, names)
Change the atom names for this constraint

_updateChargeWeights(self, names)
Updates the atom weights dictionary when the atom names change.

_updateAtomNumbers(self, names)
Updates the atom index dictionary when the atom names change.

dict

weightsByNum(self)
Get a dictionary of {atom index: atom weight}.

Inherited from base_widgets.SubTabRow: getAtomNums, getAtoms, getStructure

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

Class Variables

[hide private]

float DEFAULT_WEIGHT = 1.0
default atom weight in charge constraint.

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, entry_id=None, title=None, charge=None, weights=None)
(Constructor)

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

Overrides: object.__init__: (inherited documentation)

updateAtomNames(self, names)

Change the atom names for this constraint

Parameters:

names (list) - The list of atom names

_updateChargeWeights(self, names)

Updates the atom weights dictionary when the atom names change.

Parameters:

names (list) - The list of atom names

_updateAtomNumbers(self, names)

Updates the atom index dictionary when the atom names change.

Parameters:

names (list) - The list of atom names

weightsByNum(self)

Get a dictionary of {atom index: atom weight}. (As opposed to weights, which is {atom name: atom weight})

Returns: dict: Dictionary of {atom index: atom weight}

Class ChargeConstraintRow

__init__(self, entry_id=None, title=None, charge=None, weights=None) (Constructor)

updateAtomNames(self, names)

_updateChargeWeights(self, names)

_updateAtomNumbers(self, names)

weightsByNum(self)

init(self, entry_id=None, title=None, charge=None, weights=None)
(Constructor)