schrodinger.application.jaguar.gui.tabs.optimization_tab module¶
-
class
schrodinger.application.jaguar.gui.tabs.optimization_tab.
OptimizationTab
(parent, input_selector=None)¶ Bases:
schrodinger.application.jaguar.gui.tabs.coordinates.CoordinateTab
-
NAME
= 'Optimization'¶
-
UI_MODULES
= (<module 'schrodinger.application.jaguar.gui.ui.optimization_tab_ui' from '/scr/buildbot/savedbuilds/2018-4/NB/build-145/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/optimization_tab_ui.py'>,)¶
-
HELP_TOPIC
= 'JAGUAR_TOPIC_OPTIMIZATION_FOLDER'¶
-
CONVERGENCE_CRITERIA
= {'Custom': 6, 'Default': 2, 'Loose': 3, 'Tight': 5}¶
-
INITIAL_HESSIAN
= {'Fischer-Almlof guess': -1, 'Quantum-mechanical': 4, 'Schlegel guess': 0, 'Unit Hessian': 1}¶
-
COORDINATE_OPTS
= {'Cartesian': 0, 'Redundant internal': 1, 'Z-matrix': 2}¶
-
ALL_CONSTRAINTS_BUTTON
= {0: (True, 'Add Selected Atoms'), 1: (True, 'Add Selected Atoms'), 2: (True, 'Add Selected Atoms'), 3: (True, 'Add Selected Atoms'), 4: (True, 'Add All Atom Pairs'), 5: (True, 'Add All Bond Angles'), 6: (True, 'Add All Torsions')}¶
-
setup
()¶ Perform tab specific initialization. This function should be defined in subclasses if initialization is needed.
-
getMmJagKeywords
()¶ This function returns dictionary of mmjag keywords for this tab. Since this tab does not set any keywords it returns an empty dictionary.
Returns: mmjag keywords dictionary Return type: dict
-
getConvergenceKeywords
()¶ Get keywords from convergence criteria widgets.
Returns: A dictionary of keywords Return type: dict
-
loadSettings
(jag_input)¶ Restore scan coordinates settings from Jaguar handle.
Parameters: jag_input ( schrodinger.application.jaguar.input.JaguarInput
) – The Jaguar settings to base the tab settings on
-
loadConvergenceKeywords
(jag_input)¶ Load the convergence criteria settings.
Parameters: jag_input ( schrodinger.application.jaguar.input.JaguarInput
) – The Jaguar settings to load.
-
loadConstraintCoordinates
(jag_input)¶ Load constraint coordinates from Jaguar handle.
Parameters: jag_input ( schrodinger.application.jaguar.input.JaguarInput
) – The Jaguar handle where tab settings are saved.
-
saveSettings
(jag_input, eid=None)¶ Save constraint coordinate settings in jaguar handle.
See parent class for argument documentation
-
deleteCurrentRow
()¶ This function is called to delete row which is currently selected from the coordinates table.
-
deleteAllRows
()¶ This function is called to delete all rows from the coordinates table.
-
addCoordinate
(st, atoms, coordinate_type, target_value=None)¶ Add new coordinate row.
Parameters: - st (
schrodinger.structure.Structure
) – structure - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
- target_value (float) – target coordinate value
- st (
-
convergenceTypeChanged
(index)¶ This function is called when convergence type is changed. If ‘Custom’ is selected extra options frame is shown. Otherwise, it is hidden.
Parameters: index (int) – convergence type combo box index
-
pickCompleted
(atoms)¶ This slot is called when required number of atoms for the current coordinate type has been picked.
Parameters: atoms (list) – list of atom indices
-
updateAllConstraintsPB
()¶ This function is called when coordinate type is changed to update text and visibility of the button that adds all constraints.
-
addConsButtonPressed
()¶ This function is called when ‘add all constraints/add selected atoms’ button is clicked. It determines current coordinate type and calls appropriate function to add all/selected constraints.
-
getAllAtomPairs
(st)¶ This function returns a list of all possible atom pairs in a given structure.
Parameters: st ( schrodinger.structure.Structure
) – structureReturns: list that contains pairs of atom indices Return type: list
-
getAllAngles
(st)¶ This function returns list that contains lists of atoms for each bond angle in a given structure.
Parameters: st ( schrodinger.structure.Structure
) – structureReturns: list that contains lists of atom indices for each bond angle Return type: list
-
getAllTorsions
(st)¶ This function returns list that contains lists of atoms for each torsion angle in a given structure.
Parameters: st ( schrodinger.structure.Structure
) – structureReturns: list that contains lists of atom indices for each torsion Return type: list
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
IgnoreMask
= 4¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
__abs__
¶ abs(self)
-
__add__
¶ Return self+value.
-
__and__
¶ Return self&value.
-
__bool__
¶ self != 0
-
__ceil__
()¶ Ceiling of an Integral returns itself.
-
__class__
¶ alias of
sip.enumtype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'PyQt5.QtGui', '__dict__': <attribute '__dict__' of 'PaintDeviceMetric' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'PaintDeviceMetric' objects>})¶
-
__dir__
() → list¶ default dir() implementation
-
__divmod__
¶ Return divmod(self, value).
-
__eq__
¶ Return self==value.
-
__float__
¶ float(self)
-
__floor__
()¶ Flooring an Integral returns itself.
-
__floordiv__
¶ Return self//value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getnewargs__
()¶
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__index__
¶ Return self converted to an integer, if self is suitable for use as an index into a list.
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__int__
¶ int(self)
-
__invert__
¶ ~self
-
__le__
¶ Return self<=value.
-
__lshift__
¶ Return self<<value.
-
__lt__
¶ Return self<value.
-
__mod__
¶ Return self%value.
-
__module__
= 'PyQt5.QtGui'¶
-
__mul__
¶ Return self*value.
-
__ne__
¶ Return self!=value.
-
__neg__
¶ -self
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__or__
¶ Return self|value.
-
__pos__
¶ +self
-
__pow__
¶ Return pow(self, value, mod).
-
__radd__
¶ Return value+self.
-
__rand__
¶ Return value&self.
-
__rdivmod__
¶ Return divmod(value, self).
-
__reduce__
()¶
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__rfloordiv__
¶ Return value//self.
-
__rlshift__
¶ Return value<<self.
-
__rmod__
¶ Return value%self.
-
__rmul__
¶ Return value*self.
-
__ror__
¶ Return value|self.
-
__round__
()¶ Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.
-
__rpow__
¶ Return pow(value, self, mod).
-
__rrshift__
¶ Return value>>self.
-
__rshift__
¶ Return self>>value.
-
__rsub__
¶ Return value-self.
-
__rtruediv__
¶ Return value/self.
-
__rxor__
¶ Return value^self.
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
()¶ Returns size in memory, in bytes
-
__str__
¶ Return str(self).
-
__sub__
¶ Return self-value.
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__truediv__
¶ Return self/value.
-
__trunc__
()¶ Truncating an Integral returns itself.
-
__xor__
¶ Return self^value.
-
bit_length
() → int¶ Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6
-
conjugate
()¶ Returns self, the complex conjugate of any int.
-
denominator
¶ the denominator of a rational number in lowest terms
-
from_bytes
(bytes, byteorder, *, signed=False) → int¶ Return the integer represented by the given array of bytes.
The bytes argument must be a bytes-like object (e.g. bytes or bytearray).
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument indicates whether two’s complement is used to represent the integer.
-
imag
¶ the imaginary part of a complex number
-
numerator
¶ the numerator of a rational number in lowest terms
-
real
¶ the real part of a complex number
-
to_bytes
(length, byteorder, *, signed=False) → bytes¶ Return an array of bytes representing an integer.
The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.
-
-
PdmDepth
= 6¶
-
PdmDevicePixelRatio
= 11¶
-
PdmDevicePixelRatioScaled
= 12¶
-
PdmDpiX
= 7¶
-
PdmDpiY
= 8¶
-
PdmHeight
= 2¶
-
PdmHeightMM
= 4¶
-
PdmNumColors
= 5¶
-
PdmPhysicalDpiX
= 9¶
-
PdmPhysicalDpiY
= 10¶
-
PdmWidth
= 1¶
-
PdmWidthMM
= 3¶
-
class
RenderFlag
¶ Bases:
int
-
__abs__
¶ abs(self)
-
__add__
¶ Return self+value.
-
__and__
¶ Return self&value.
-
__bool__
¶ self != 0
-
__ceil__
()¶ Ceiling of an Integral returns itself.
-
__class__
¶ alias of
sip.enumtype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'PyQt5.QtWidgets', '__or__': <slot wrapper '__or__' of 'RenderFlag' objects>, '__ror__': <slot wrapper '__ror__' of 'RenderFlag' objects>, '__dict__': <attribute '__dict__' of 'RenderFlag' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'RenderFlag' objects>})¶
-
__dir__
() → list¶ default dir() implementation
-
__divmod__
¶ Return divmod(self, value).
-
__eq__
¶ Return self==value.
-
__float__
¶ float(self)
-
__floor__
()¶ Flooring an Integral returns itself.
-
__floordiv__
¶ Return self//value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getnewargs__
()¶
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__index__
¶ Return self converted to an integer, if self is suitable for use as an index into a list.
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__int__
¶ int(self)
-
__invert__
¶ ~self
-
__le__
¶ Return self<=value.
-
__lshift__
¶ Return self<<value.
-
__lt__
¶ Return self<value.
-
__mod__
¶ Return self%value.
-
__module__
= 'PyQt5.QtWidgets'¶
-
__mul__
¶ Return self*value.
-
__ne__
¶ Return self!=value.
-
__neg__
¶ -self
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__or__
¶ Return self|value.
-
__pos__
¶ +self
-
__pow__
¶ Return pow(self, value, mod).
-
__radd__
¶ Return value+self.
-
__rand__
¶ Return value&self.
-
__rdivmod__
¶ Return divmod(value, self).
-
__reduce__
()¶
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__rfloordiv__
¶ Return value//self.
-
__rlshift__
¶ Return value<<self.
-
__rmod__
¶ Return value%self.
-
__rmul__
¶ Return value*self.
-
__ror__
¶ Return value|self.
-
__round__
()¶ Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.
-
__rpow__
¶ Return pow(value, self, mod).
-
__rrshift__
¶ Return value>>self.
-
__rshift__
¶ Return self>>value.
-
__rsub__
¶ Return value-self.
-
__rtruediv__
¶ Return value/self.
-
__rxor__
¶ Return value^self.
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
()¶ Returns size in memory, in bytes
-
__str__
¶ Return str(self).
-
__sub__
¶ Return self-value.
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__truediv__
¶ Return self/value.
-
__trunc__
()¶ Truncating an Integral returns itself.
-
__xor__
¶ Return self^value.
-
bit_length
() → int¶ Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6
-
conjugate
()¶ Returns self, the complex conjugate of any int.
-
denominator
¶ the denominator of a rational number in lowest terms
-
from_bytes
(bytes, byteorder, *, signed=False) → int¶ Return the integer represented by the given array of bytes.
The bytes argument must be a bytes-like object (e.g. bytes or bytearray).
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument indicates whether two’s complement is used to represent the integer.
-
imag
¶ the imaginary part of a complex number
-
numerator
¶ the numerator of a rational number in lowest terms
-
real
¶ the real part of a complex number
-
to_bytes
(length, byteorder, *, signed=False) → bytes¶ Return an array of bytes representing an integer.
The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.
-
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__and__
¶ Return self&value.
-
__bool__
¶ self != 0
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'PyQt5.QtWidgets', '__hash__': <slot wrapper '__hash__' of 'RenderFlags' objects>, '__lt__': <slot wrapper '__lt__' of 'RenderFlags' objects>, '__le__': <slot wrapper '__le__' of 'RenderFlags' objects>, '__eq__': <slot wrapper '__eq__' of 'RenderFlags' objects>, '__ne__': <slot wrapper '__ne__' of 'RenderFlags' objects>, '__gt__': <slot wrapper '__gt__' of 'RenderFlags' objects>, '__ge__': <slot wrapper '__ge__' of 'RenderFlags' objects>, '__bool__': <slot wrapper '__bool__' of 'RenderFlags' objects>, '__invert__': <slot wrapper '__invert__' of 'RenderFlags' objects>, '__and__': <slot wrapper '__and__' of 'RenderFlags' objects>, '__rand__': <slot wrapper '__rand__' of 'RenderFlags' objects>, '__xor__': <slot wrapper '__xor__' of 'RenderFlags' objects>, '__rxor__': <slot wrapper '__rxor__' of 'RenderFlags' objects>, '__or__': <slot wrapper '__or__' of 'RenderFlags' objects>, '__ror__': <slot wrapper '__ror__' of 'RenderFlags' objects>, '__int__': <slot wrapper '__int__' of 'RenderFlags' objects>, '__iand__': <slot wrapper '__iand__' of 'RenderFlags' objects>, '__ixor__': <slot wrapper '__ixor__' of 'RenderFlags' objects>, '__ior__': <slot wrapper '__ior__' of 'RenderFlags' objects>, '__weakref__': <attribute '__weakref__' of 'RenderFlags' objects>, '__doc__': 'QWidget.RenderFlags()\nQWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag])\nQWidget.RenderFlags(QWidget.RenderFlags)'})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__iand__
¶ Return self&=value.
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__int__
¶ int(self)
-
__invert__
¶ ~self
-
__ior__
¶ Return self|=value.
-
__ixor__
¶ Return self^=value.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'PyQt5.QtWidgets'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__or__
¶ Return self|value.
-
__rand__
¶ Return value&self.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__ror__
¶ Return value|self.
-
__rxor__
¶ Return value^self.
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
__xor__
¶ Return self^value.
-
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.application.jaguar.gui.tabs.optimization_tab', 'NAME': 'Optimization', 'UI_MODULES': (<module 'schrodinger.application.jaguar.gui.ui.optimization_tab_ui' from '/scr/buildbot/savedbuilds/2018-4/NB/build-145/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/optimization_tab_ui.py'>,), 'HELP_TOPIC': 'JAGUAR_TOPIC_OPTIMIZATION_FOLDER', 'CONVERGENCE_CRITERIA': OrderedDict([('Default', 2), ('Loose', 3), ('Tight', 5), ('Custom', 6)]), 'INITIAL_HESSIAN': OrderedDict([('Schlegel guess', 0), ('Fischer-Almlof guess', -1), ('Unit Hessian', 1), ('Quantum-mechanical', 4)]), 'COORDINATE_OPTS': OrderedDict([('Redundant internal', 1), ('Cartesian', 0), ('Z-matrix', 2)]), 'ALL_CONSTRAINTS_BUTTON': {0: (True, 'Add Selected Atoms'), 1: (True, 'Add Selected Atoms'), 2: (True, 'Add Selected Atoms'), 3: (True, 'Add Selected Atoms'), 4: (True, 'Add All Atom Pairs'), 5: (True, 'Add All Bond Angles'), 6: (True, 'Add All Torsions')}, 'setup': <function OptimizationTab.setup>, 'getMmJagKeywords': <function OptimizationTab.getMmJagKeywords>, 'getConvergenceKeywords': <function OptimizationTab.getConvergenceKeywords>, 'loadSettings': <function OptimizationTab.loadSettings>, 'loadConvergenceKeywords': <function OptimizationTab.loadConvergenceKeywords>, 'loadConstraintCoordinates': <function OptimizationTab.loadConstraintCoordinates>, 'saveSettings': <function OptimizationTab.saveSettings>, 'deleteCurrentRow': <function OptimizationTab.deleteCurrentRow>, 'deleteAllRows': <function OptimizationTab.deleteAllRows>, 'addCoordinate': <function OptimizationTab.addCoordinate>, 'convergenceTypeChanged': <function OptimizationTab.convergenceTypeChanged>, 'pickCompleted': <function OptimizationTab.pickCompleted>, 'updateAllConstraintsPB': <function OptimizationTab.updateAllConstraintsPB>, 'addConsButtonPressed': <function OptimizationTab.addConsButtonPressed>, 'getAllAtomPairs': <function OptimizationTab.getAllAtomPairs>, 'getAllAngles': <function OptimizationTab.getAllAngles>, 'getAllTorsions': <function OptimizationTab.getAllTorsions>, '__doc__': None})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattr__
(self, str) → object¶
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(parent, input_selector=None)¶ Perform common tab initialization. All tab specific initialization should go in setup().
Parameters: - parent (
PyQt5.QtWidgets.QWidget
) – The Qt parent widget - input_selector (
schrodinger.ui.qt.input_selector.InputSelector
) – The panel’s input selector widget, if available.
- parent (
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.application.jaguar.gui.tabs.optimization_tab'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
acceptDrops
(self) → bool¶
-
accessibleDescription
(self) → str¶
-
accessibleName
(self) → str¶
-
actionEvent
(self, QActionEvent)¶
-
actions
(self) → List[QAction]¶
-
activate
()¶ This function will be called whenever the user selects this tab. Subclasses can override it if necessary to, e.g., activate picking.
-
activateWindow
(self)¶
-
addAction
(self, QAction)¶
-
addActions
(self, object)¶
-
adjustSize
(self)¶
-
allCoordinatesDeleted
¶
-
autoFillBackground
(self) → bool¶
-
backgroundRole
(self) → QPalette.ColorRole¶
-
baseSize
(self) → QSize¶
-
blockSignals
(self, bool) → bool¶
-
changeEvent
(self, QEvent)¶
-
childAt
(self, QPoint) → QWidget¶ childAt(self, int, int) -> QWidget
-
childEvent
(self, QChildEvent)¶
-
children
(self) → object¶
-
childrenRect
(self) → QRect¶
-
childrenRegion
(self) → QRegion¶
-
clearFocus
(self)¶
-
clearMask
(self)¶
-
close
(self) → bool¶
-
closeEvent
(self, QCloseEvent)¶
-
colorCount
(self) → int¶
-
connectNotify
(self, QMetaMethod)¶
-
contentsMargins
(self) → QMargins¶
-
contentsRect
(self) → QRect¶
-
contextMenuEvent
(self, QContextMenuEvent)¶
-
contextMenuPolicy
(self) → Qt.ContextMenuPolicy¶
-
coordinateAdded
¶
-
coordinateDeleted
¶
-
coordinateDeselected
¶
-
coordinateSelected
¶
-
create
(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)¶
-
createWindowContainer
(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget¶
-
cursor
(self) → QCursor¶
-
customContextMenuRequested
¶ customContextMenuRequested(self, QPoint) [signal]
-
customEvent
(self, QEvent)¶
-
deactivate
()¶ This function will be called whenever the user selects a different tab. Subclasses can override it if necessary to, e.g., deactivate picking.
-
deleteLater
(self)¶
-
depth
(self) → int¶
-
destroy
(self, destroyWindow: bool = True, destroySubWindows: bool = True)¶
-
destroyed
¶ destroyed(self, QObject = None) [signal]
-
devType
(self) → int¶
-
devicePixelRatio
(self) → int¶
-
devicePixelRatioF
(self) → float¶
-
devicePixelRatioFScale
() → float¶
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
dragEnterEvent
(self, QDragEnterEvent)¶
-
dragLeaveEvent
(self, QDragLeaveEvent)¶
-
dragMoveEvent
(self, QDragMoveEvent)¶
-
dropEvent
(self, QDropEvent)¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → object¶
-
effectiveWinId
(self) → sip.voidptr¶
-
ensurePolished
(self)¶
-
enterEvent
(self, QEvent)¶
-
error
(msg)¶ Display an error dialog with the specified message
Parameters: msg (str) – The message to include in the error dialog
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
find
(sip.voidptr) → QWidget¶
-
findChild
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
focusInEvent
(self, QFocusEvent)¶
-
focusNextChild
(self) → bool¶
-
focusNextPrevChild
(self, bool) → bool¶
-
focusOutEvent
(self, QFocusEvent)¶
-
focusPolicy
(self) → Qt.FocusPolicy¶
-
focusPreviousChild
(self) → bool¶
-
focusProxy
(self) → QWidget¶
-
focusWidget
(self) → QWidget¶
-
font
(self) → QFont¶
-
fontInfo
(self) → QFontInfo¶
-
fontMetrics
(self) → QFontMetrics¶
-
foregroundRole
(self) → QPalette.ColorRole¶
-
frameGeometry
(self) → QRect¶
-
frameSize
(self) → QSize¶
-
geometry
(self) → QRect¶
-
getContentsMargins
(self) → Tuple[int, int, int, int]¶
-
getDefaultKeywords
()¶ Get the default keywords for this tab. Note that defaults that exist in mmjag should not be explicitly set here.
-
grab
(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap¶
-
grabGesture
(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())¶
-
grabKeyboard
(self)¶
-
grabMouse
(self)¶ grabMouse(self, Union[QCursor, Qt.CursorShape])
-
grabShortcut
(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int¶
-
graphicsEffect
(self) → QGraphicsEffect¶
-
graphicsProxyWidget
(self) → QGraphicsProxyWidget¶
-
hasFocus
(self) → bool¶
-
hasHeightForWidth
(self) → bool¶
-
hasMouseTracking
(self) → bool¶
-
hasTabletTracking
(self) → bool¶
-
height
(self) → int¶
-
heightForWidth
(self, int) → int¶
-
heightMM
(self) → int¶
-
hide
(self)¶
-
hideEvent
(self, QHideEvent)¶
-
inherits
(self, str) → bool¶
-
initPainter
(self, QPainter)¶
-
inputMethodEvent
(self, QInputMethodEvent)¶
-
inputMethodHints
(self) → Qt.InputMethodHints¶
-
inputMethodQuery
(self, Qt.InputMethodQuery) → Any¶
-
insertAction
(self, QAction, QAction)¶
-
insertActions
(self, QAction, Iterable[QAction])¶
-
installEventFilter
(self, QObject)¶
-
isActiveWindow
(self) → bool¶
-
isAncestorOf
(self, QWidget) → bool¶
-
isEnabled
(self) → bool¶
-
isEnabledTo
(self, QWidget) → bool¶
-
isFullScreen
(self) → bool¶
-
isHidden
(self) → bool¶
-
isLeftToRight
(self) → bool¶
-
isMaximized
(self) → bool¶
-
isMinimized
(self) → bool¶
-
isModal
(self) → bool¶
-
isRightToLeft
(self) → bool¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isVisible
(self) → bool¶
-
isVisibleTo
(self, QWidget) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindow
(self) → bool¶
-
isWindowModified
(self) → bool¶
-
isWindowType
(self) → bool¶
-
keyPressEvent
(self, QKeyEvent)¶
-
keyReleaseEvent
(self, QKeyEvent)¶
-
keyboardGrabber
() → QWidget¶
-
killTimer
(self, int)¶
-
layout
(self) → QLayout¶
-
layoutDirection
(self) → Qt.LayoutDirection¶
-
leaveEvent
(self, QEvent)¶
-
loadPerAtomSettings
(jag_input, eid=None, title=None)¶ Restore per-atom tab settings from mmjag keywords. This function should be defined in subclasses for any tabs that contain per-atom settings.
Parameters: - jag_input (
schrodinger.application.jaguar.input.JaguarInput
) – The Jaguar settings to base the tab settings on - eid (str) – The entry id of the structure in
jag_input
- title (str) – The title of the structure in
jag_input
- jag_input (
-
locale
(self) → QLocale¶
-
logicalDpiX
(self) → int¶
-
logicalDpiY
(self) → int¶
-
lower
(self)¶
-
mapFrom
(self, QWidget, QPoint) → QPoint¶
-
mapFromGlobal
(self, QPoint) → QPoint¶
-
mapFromParent
(self, QPoint) → QPoint¶
-
mapTo
(self, QWidget, QPoint) → QPoint¶
-
mapToGlobal
(self, QPoint) → QPoint¶
-
mapToParent
(self, QPoint) → QPoint¶
-
mask
(self) → QRegion¶
-
maximumHeight
(self) → int¶
-
maximumSize
(self) → QSize¶
-
maximumWidth
(self) → int¶
-
metaObject
(self) → QMetaObject¶
-
metric
(self, QPaintDevice.PaintDeviceMetric) → int¶
-
minimumHeight
(self) → int¶
-
minimumSize
(self) → QSize¶
-
minimumSizeHint
(self) → QSize¶
-
minimumWidth
(self) → int¶
-
mouseDoubleClickEvent
(self, QMouseEvent)¶
-
mouseGrabber
() → QWidget¶
-
mouseMoveEvent
(self, QMouseEvent)¶
-
mousePressEvent
(self, QMouseEvent)¶
-
mouseReleaseEvent
(self, QMouseEvent)¶
-
move
(self, QPoint)¶ move(self, int, int)
-
moveEvent
(self, QMoveEvent)¶
-
moveToThread
(self, QThread)¶
-
nativeEvent
(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]¶
-
nativeParentWidget
(self) → QWidget¶
-
nextInFocusChain
(self) → QWidget¶
-
normalGeometry
(self) → QRect¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
overrideWindowFlags
(self, Union[Qt.WindowFlags, Qt.WindowType])¶
-
overrideWindowState
(self, Union[Qt.WindowStates, Qt.WindowState])¶
-
paintEngine
(self) → QPaintEngine¶
-
paintEvent
(self, QPaintEvent)¶
-
paintingActive
(self) → bool¶
-
palette
(self) → QPalette¶
-
parent
(self) → QObject¶
-
parentWidget
(self) → QWidget¶
-
physicalDpiX
(self) → int¶
-
physicalDpiY
(self) → int¶
-
pos
(self) → QPoint¶
-
previousInFocusChain
(self) → QWidget¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
raise_
(self)¶
-
receivers
(self, PYQT_SIGNAL) → int¶
-
rect
(self) → QRect¶
-
refreshMarkers
¶
-
releaseKeyboard
(self)¶
-
releaseMouse
(self)¶
-
releaseShortcut
(self, int)¶
-
removeAction
(self, QAction)¶
-
removeEventFilter
(self, QObject)¶
-
render
(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))¶ render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))
-
repaint
(self)¶ repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)
-
reset
()¶ Reset the tab to its original state. Note that this function is only necessary for settings that are not stored in the mmjag handle. For mmjag settings, reset will be carried out using
loadSettings
with a defaultschrodinger.application.jaguar.input.JaguarInput
object. This function should only be defined in subclasses if there are any settings that cannot be reset vialoadSettings
.
-
resize
(self, QSize)¶ resize(self, int, int)
-
resizeEvent
(self, QResizeEvent)¶
-
restoreGeometry
(self, Union[QByteArray, bytes, bytearray]) → bool¶
-
saveGeometry
(self) → QByteArray¶
-
scroll
(self, int, int)¶ scroll(self, int, int, QRect)
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setAcceptDrops
(self, bool)¶
-
setAcceptableContraintEids
(eids, picking_err)¶ Set the constraint picking restrictions
Parameters: - eids (set) – The entry ids for which coordinate picking is acceptable.
- picking_err (str or NoneType) – If picking should not be allowed at all, this is the text of the error that will displayed to the user. If picking is allowed, should be None.
-
setAccessibleDescription
(self, str)¶
-
setAccessibleName
(self, str)¶
-
setAttribute
(self, Qt.WidgetAttribute, on: bool = True)¶
-
setAutoFillBackground
(self, bool)¶
-
setBackgroundRole
(self, QPalette.ColorRole)¶
-
setBaseSize
(self, int, int)¶ setBaseSize(self, QSize)
-
setContentsMargins
(self, int, int, int, int)¶ setContentsMargins(self, QMargins)
-
setContextMenuPolicy
(self, Qt.ContextMenuPolicy)¶
-
setCursor
(self, Union[QCursor, Qt.CursorShape])¶
-
setDisabled
(self, bool)¶
-
setEnabled
(self, bool)¶
-
setFixedHeight
(self, int)¶
-
setFixedSize
(self, QSize)¶ setFixedSize(self, int, int)
-
setFixedWidth
(self, int)¶
-
setFocus
(self)¶ setFocus(self, Qt.FocusReason)
-
setFocusPolicy
(self, Qt.FocusPolicy)¶
-
setFocusProxy
(self, QWidget)¶
-
setFont
(self, QFont)¶
-
setForegroundRole
(self, QPalette.ColorRole)¶
-
setGeometry
(self, QRect)¶ setGeometry(self, int, int, int, int)
-
setGraphicsEffect
(self, QGraphicsEffect)¶
-
setHidden
(self, bool)¶
-
setInputMethodHints
(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])¶
-
setLayout
(self, QLayout)¶
-
setLayoutDirection
(self, Qt.LayoutDirection)¶
-
setLocale
(self, QLocale)¶
-
setMask
(self, QBitmap)¶ setMask(self, QRegion)
-
setMaximumHeight
(self, int)¶
-
setMaximumSize
(self, int, int)¶ setMaximumSize(self, QSize)
-
setMaximumWidth
(self, int)¶
-
setMinimumHeight
(self, int)¶
-
setMinimumSize
(self, int, int)¶ setMinimumSize(self, QSize)
-
setMinimumWidth
(self, int)¶
-
setMouseTracking
(self, bool)¶
-
setObjectName
(self, str)¶
-
setPalette
(self, QPalette)¶
-
setParent
(self, QWidget)¶ setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])
-
setProperty
(self, str, Any) → bool¶
-
setShortcutAutoRepeat
(self, int, enabled: bool = True)¶
-
setShortcutEnabled
(self, int, enabled: bool = True)¶
-
setSizeIncrement
(self, int, int)¶ setSizeIncrement(self, QSize)
-
setSizePolicy
(self, QSizePolicy)¶ setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)
-
setStatusTip
(self, str)¶
-
setStyle
(self, QStyle)¶
-
setStyleSheet
(self, str)¶
-
setTabOrder
(QWidget, QWidget)¶
-
setTabletTracking
(self, bool)¶
-
setToolTip
(self, str)¶
-
setToolTipDuration
(self, int)¶
-
setUpdatesEnabled
(self, bool)¶
-
setVisible
(self, bool)¶
-
setWhatsThis
(self, str)¶
-
setWindowFilePath
(self, str)¶
-
setWindowFlag
(self, Qt.WindowType, on: bool = True)¶
-
setWindowFlags
(self, Union[Qt.WindowFlags, Qt.WindowType])¶
-
setWindowIcon
(self, QIcon)¶
-
setWindowIconText
(self, str)¶
-
setWindowModality
(self, Qt.WindowModality)¶
-
setWindowModified
(self, bool)¶
-
setWindowOpacity
(self, float)¶
-
setWindowRole
(self, str)¶
-
setWindowState
(self, Union[Qt.WindowStates, Qt.WindowState])¶
-
setWindowTitle
(self, str)¶
-
show
(self)¶
-
showEvent
(self, QShowEvent)¶
-
showFullScreen
(self)¶
-
showMaximized
(self)¶
-
showMinimized
(self)¶
-
showNormal
(self)¶
-
signalsBlocked
(self) → bool¶
-
size
(self) → QSize¶
-
sizeHint
(self) → QSize¶
-
sizeIncrement
(self) → QSize¶
-
sizePolicy
(self) → QSizePolicy¶
-
stackUnder
(self, QWidget)¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
statusTip
(self) → str¶
-
stopPicking
()¶ Stop constraint picking
-
style
(self) → QStyle¶
-
styleSheet
(self) → str¶
-
tabletEvent
(self, QTabletEvent)¶
-
testAttribute
(self, Qt.WidgetAttribute) → bool¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
toolTip
(self) → str¶
-
toolTipDuration
(self) → int¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
underMouse
(self) → bool¶
-
ungrabGesture
(self, Qt.GestureType)¶
-
unsetCursor
(self)¶
-
unsetLayoutDirection
(self)¶
-
unsetLocale
(self)¶
-
update
(self)¶ update(self, QRect) update(self, QRegion) update(self, int, int, int, int)
-
updateGeometry
(self)¶
-
updateMicroFocus
(self)¶
-
updatesEnabled
(self) → bool¶
-
validate
()¶ Make sure that the tab settings will allow a job to be run successfully. Note that this validation should not be redundant with that performed in
getMmJagKeywords
. Any tab setting that prevents valid mmjag keywords from being generated should causegetMmJagKeywords
to raise a JaguarSettingError. Any tab setting that allows mmjag keywords to be successfully generated but will result in a job failure should cause avalidate
fail. This function should be defined in subclasses if validation is needed.Returns: If the validation passes, None is returned. If the validation fails, a string that describes the error is returned. Return type: str or NoneType
-
visibleRegion
(self) → QRegion¶
-
warning
(msg)¶ Display a warning dialog with the specified message
Parameters: msg (str) – The message to include in the warning dialog
-
whatsThis
(self) → str¶
-
wheelEvent
(self, QWheelEvent)¶
-
width
(self) → int¶
-
widthMM
(self) → int¶
-
winId
(self) → sip.voidptr¶
-
window
(self) → QWidget¶
-
windowFilePath
(self) → str¶
-
windowFlags
(self) → Qt.WindowFlags¶
-
windowHandle
(self) → QWindow¶
-
windowIcon
(self) → QIcon¶
-
windowIconChanged
¶ windowIconChanged(self, QIcon) [signal]
-
windowIconText
(self) → str¶
-
windowIconTextChanged
¶ windowIconTextChanged(self, str) [signal]
-
windowModality
(self) → Qt.WindowModality¶
-
windowOpacity
(self) → float¶
-
windowRole
(self) → str¶
-
windowState
(self) → Qt.WindowStates¶
-
windowTitle
(self) → str¶
-
windowTitleChanged
¶ windowTitleChanged(self, str) [signal]
-
windowType
(self) → Qt.WindowType¶
-
x
(self) → int¶
-
y
(self) → int¶
-
-
class
schrodinger.application.jaguar.gui.tabs.optimization_tab.
ConstraintCoordinateColumns
¶ Bases:
object
Constants for table columns.
-
NAMES
= ('Atom Indices', 'Coordinate', 'Type', 'Target Value')¶
-
NUM_COLS
= 4¶
-
INDICES
= 0¶
-
COORD_NAME
= 1¶
-
COORD_TYPE
= 2¶
-
TARGET_VAL
= 3¶
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.application.jaguar.gui.tabs.optimization_tab', '__doc__': '\n Constants for table columns.\n ', 'NAMES': ('Atom Indices', 'Coordinate', 'Type', 'Target Value'), 'NUM_COLS': 4, 'INDICES': 0, 'COORD_NAME': 1, 'COORD_TYPE': 2, 'TARGET_VAL': 3, '__dict__': <attribute '__dict__' of 'ConstraintCoordinateColumns' objects>, '__weakref__': <attribute '__weakref__' of 'ConstraintCoordinateColumns' objects>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.application.jaguar.gui.tabs.optimization_tab'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
-
class
schrodinger.application.jaguar.gui.tabs.optimization_tab.
ConstraintCoordinateData
(st, atoms, coordinate_type, target_value=None)¶ Bases:
schrodinger.application.jaguar.gui.tabs.coordinates.CoordinateData
This class stores all data for a single constraint coordinate.
Variables: - st (
schrodinger.structure.Structure
) – ct structure for which coordinates are defined - atom_indices (list) – indices of atoms, which define this coordinate
- coordinate_name (str) – name of this coordinate based on atom indices
- coordinate_type (int) – coordinate type
- target_value (float) – target value of this coordinate
-
__init__
(st, atoms, coordinate_type, target_value=None)¶ Initialize coordinates data given a structure, set of atom indices and coordinate type.
Parameters: - st (
schrodinger.structure.Structure
) – structure - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
- target_value (float) – target coordinate value
- st (
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.application.jaguar.gui.tabs.optimization_tab', '__doc__': '\n This class stores all data for a single constraint coordinate.\n\n :ivar st: ct structure for which coordinates are defined\n :vartype st: `schrodinger.structure.Structure`\n\n :ivar atom_indices: indices of atoms, which define this coordinate\n :vartype atom_indices: list\n\n :ivar coordinate_name: name of this coordinate based on atom indices\n :vartype coordinate_name: str\n\n :ivar coordinate_type: coordinate type\n :vartype coordinate_type: int\n\n :ivar target_value: target value of this coordinate\n :vartype target_value: float\n ', '__init__': <function ConstraintCoordinateData.__init__>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.application.jaguar.gui.tabs.optimization_tab'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
validate
()¶ This function checks that atom indices contain correct number of elements for a given coordinate type. If thats not the case ValueError exception is raised.
- st (
-
class
schrodinger.application.jaguar.gui.tabs.optimization_tab.
ConstraintCoordinatesDelegate
¶ Bases:
PyQt5.QtWidgets.QItemDelegate
This delegate is used to validate values entered in ‘target value’ column.
-
COLUMN
= <schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinateColumns object>¶
-
createEditor
(parent, option, index)¶ This function returns an editor widget (QLineEdit) for ‘target value’ column.
Parameters: - parent (
QtWidgets.QWidget
) – parent widget - option (
QtWidgets.QStyleOptionViewItem
) – not used, but kept for compatibility - index (
QtCore.QModelIndex
) – model index
Returns: QLineEdit editor widget
Return type: QtWidgets.QLineEdit
- parent (
-
setEditorData
(editor, index)¶ This function read data from model, converts it to text and sets it in the editor widget.
Parameters: - editor (
QtWidgets.QLineEdit
) – editor widget - index (
QtCore.QModelIndex
) – model index
- editor (
-
setModelData
(editor, model, index)¶ This function reads text from QLineEdit and writes it to the model
Parameters: - editor (
QtWidgets.QLineEdit
) – editor widget - model (
QtCore.QAbstractItemModel
) – data model - index (
QtCore.QModelIndex
) – model index
- editor (
-
EditNextItem
= 1¶
-
EditPreviousItem
= 2¶
-
class
EndEditHint
¶ Bases:
int
-
__abs__
¶ abs(self)
-
__add__
¶ Return self+value.
-
__and__
¶ Return self&value.
-
__bool__
¶ self != 0
-
__ceil__
()¶ Ceiling of an Integral returns itself.
-
__class__
¶ alias of
sip.enumtype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'PyQt5.QtWidgets', '__dict__': <attribute '__dict__' of 'EndEditHint' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'EndEditHint' objects>})¶
-
__dir__
() → list¶ default dir() implementation
-
__divmod__
¶ Return divmod(self, value).
-
__eq__
¶ Return self==value.
-
__float__
¶ float(self)
-
__floor__
()¶ Flooring an Integral returns itself.
-
__floordiv__
¶ Return self//value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getnewargs__
()¶
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__index__
¶ Return self converted to an integer, if self is suitable for use as an index into a list.
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__int__
¶ int(self)
-
__invert__
¶ ~self
-
__le__
¶ Return self<=value.
-
__lshift__
¶ Return self<<value.
-
__lt__
¶ Return self<value.
-
__mod__
¶ Return self%value.
-
__module__
= 'PyQt5.QtWidgets'¶
-
__mul__
¶ Return self*value.
-
__ne__
¶ Return self!=value.
-
__neg__
¶ -self
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__or__
¶ Return self|value.
-
__pos__
¶ +self
-
__pow__
¶ Return pow(self, value, mod).
-
__radd__
¶ Return value+self.
-
__rand__
¶ Return value&self.
-
__rdivmod__
¶ Return divmod(value, self).
-
__reduce__
()¶
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__rfloordiv__
¶ Return value//self.
-
__rlshift__
¶ Return value<<self.
-
__rmod__
¶ Return value%self.
-
__rmul__
¶ Return value*self.
-
__ror__
¶ Return value|self.
-
__round__
()¶ Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.
-
__rpow__
¶ Return pow(value, self, mod).
-
__rrshift__
¶ Return value>>self.
-
__rshift__
¶ Return self>>value.
-
__rsub__
¶ Return value-self.
-
__rtruediv__
¶ Return value/self.
-
__rxor__
¶ Return value^self.
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
()¶ Returns size in memory, in bytes
-
__str__
¶ Return str(self).
-
__sub__
¶ Return self-value.
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__truediv__
¶ Return self/value.
-
__trunc__
()¶ Truncating an Integral returns itself.
-
__xor__
¶ Return self^value.
-
bit_length
() → int¶ Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6
-
conjugate
()¶ Returns self, the complex conjugate of any int.
-
denominator
¶ the denominator of a rational number in lowest terms
-
from_bytes
(bytes, byteorder, *, signed=False) → int¶ Return the integer represented by the given array of bytes.
The bytes argument must be a bytes-like object (e.g. bytes or bytearray).
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument indicates whether two’s complement is used to represent the integer.
-
imag
¶ the imaginary part of a complex number
-
numerator
¶ the numerator of a rational number in lowest terms
-
real
¶ the real part of a complex number
-
to_bytes
(length, byteorder, *, signed=False) → bytes¶ Return an array of bytes representing an integer.
The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.
-
-
NoHint
= 0¶
-
RevertModelCache
= 4¶
-
SubmitModelCache
= 3¶
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.application.jaguar.gui.tabs.optimization_tab', '__doc__': "\n This delegate is used to validate values entered in 'target value'\n column.\n ", 'COLUMN': <schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinateColumns object>, 'createEditor': <function ConstraintCoordinatesDelegate.createEditor>, 'setEditorData': <function ConstraintCoordinatesDelegate.setEditorData>, 'setModelData': <function ConstraintCoordinatesDelegate.setModelData>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattr__
(self, str) → object¶
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.application.jaguar.gui.tabs.optimization_tab'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
blockSignals
(self, bool) → bool¶
-
childEvent
(self, QChildEvent)¶
-
children
(self) → object¶
-
closeEditor
¶ closeEditor(self, QWidget, QAbstractItemDelegate.EndEditHint = QAbstractItemDelegate.NoHint) [signal]
-
commitData
¶ commitData(self, QWidget) [signal]
-
connectNotify
(self, QMetaMethod)¶
-
customEvent
(self, QEvent)¶
-
deleteLater
(self)¶
-
destroyEditor
(self, QWidget, QModelIndex)¶
-
destroyed
¶ destroyed(self, QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
drawBackground
(self, QPainter, QStyleOptionViewItem, QModelIndex)¶
-
drawCheck
(self, QPainter, QStyleOptionViewItem, QRect, Qt.CheckState)¶
-
drawDecoration
(self, QPainter, QStyleOptionViewItem, QRect, QPixmap)¶
-
drawDisplay
(self, QPainter, QStyleOptionViewItem, QRect, str)¶
-
drawFocus
(self, QPainter, QStyleOptionViewItem, QRect)¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → object¶
-
editorEvent
(self, QEvent, QAbstractItemModel, QStyleOptionViewItem, QModelIndex) → bool¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
findChild
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
hasClipping
(self) → bool¶
-
helpEvent
(self, QHelpEvent, QAbstractItemView, QStyleOptionViewItem, QModelIndex) → bool¶
-
inherits
(self, str) → bool¶
-
installEventFilter
(self, QObject)¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
itemEditorFactory
(self) → QItemEditorFactory¶
-
killTimer
(self, int)¶
-
metaObject
(self) → QMetaObject¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
paint
(self, QPainter, QStyleOptionViewItem, QModelIndex)¶
-
parent
(self) → QObject¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeEventFilter
(self, QObject)¶
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setClipping
(self, bool)¶
-
setItemEditorFactory
(self, QItemEditorFactory)¶
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
signalsBlocked
(self) → bool¶
-
sizeHint
(self, QStyleOptionViewItem, QModelIndex) → QSize¶
-
sizeHintChanged
¶ sizeHintChanged(self, QModelIndex) [signal]
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
updateEditorGeometry
(self, QWidget, QStyleOptionViewItem, QModelIndex)¶
-
-
class
schrodinger.application.jaguar.gui.tabs.optimization_tab.
ConstraintCoordinatesProxyModel
(parent)¶ Bases:
PyQt5.QtCore.QSortFilterProxyModel
A proxy model that allows to hide columns.
-
COLUMN
= <schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinateColumns object>¶
-
__init__
(parent)¶ Initialize self. See help(type(self)) for accurate signature.
-
filterAcceptsColumn
(column, index)¶ Modified from the parent class to define columns that should be visible.
Parameters: - column (int) – the column index
- index (
QModelIndex
) – Unused, but kept for PyQt compatibility
-
HorizontalSortHint
= 2¶
-
class
LayoutChangeHint
¶ Bases:
int
-
__abs__
¶ abs(self)
-
__add__
¶ Return self+value.
-
__and__
¶ Return self&value.
-
__bool__
¶ self != 0
-
__ceil__
()¶ Ceiling of an Integral returns itself.
-
__class__
¶ alias of
sip.enumtype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'PyQt5.QtCore', '__dict__': <attribute '__dict__' of 'LayoutChangeHint' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'LayoutChangeHint' objects>})¶
-
__dir__
() → list¶ default dir() implementation
-
__divmod__
¶ Return divmod(self, value).
-
__eq__
¶ Return self==value.
-
__float__
¶ float(self)
-
__floor__
()¶ Flooring an Integral returns itself.
-
__floordiv__
¶ Return self//value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getnewargs__
()¶
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__index__
¶ Return self converted to an integer, if self is suitable for use as an index into a list.
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__int__
¶ int(self)
-
__invert__
¶ ~self
-
__le__
¶ Return self<=value.
-
__lshift__
¶ Return self<<value.
-
__lt__
¶ Return self<value.
-
__mod__
¶ Return self%value.
-
__module__
= 'PyQt5.QtCore'¶
-
__mul__
¶ Return self*value.
-
__ne__
¶ Return self!=value.
-
__neg__
¶ -self
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__or__
¶ Return self|value.
-
__pos__
¶ +self
-
__pow__
¶ Return pow(self, value, mod).
-
__radd__
¶ Return value+self.
-
__rand__
¶ Return value&self.
-
__rdivmod__
¶ Return divmod(value, self).
-
__reduce__
()¶
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__rfloordiv__
¶ Return value//self.
-
__rlshift__
¶ Return value<<self.
-
__rmod__
¶ Return value%self.
-
__rmul__
¶ Return value*self.
-
__ror__
¶ Return value|self.
-
__round__
()¶ Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.
-
__rpow__
¶ Return pow(value, self, mod).
-
__rrshift__
¶ Return value>>self.
-
__rshift__
¶ Return self>>value.
-
__rsub__
¶ Return value-self.
-
__rtruediv__
¶ Return value/self.
-
__rxor__
¶ Return value^self.
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
()¶ Returns size in memory, in bytes
-
__str__
¶ Return str(self).
-
__sub__
¶ Return self-value.
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__truediv__
¶ Return self/value.
-
__trunc__
()¶ Truncating an Integral returns itself.
-
__xor__
¶ Return self^value.
-
bit_length
() → int¶ Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6
-
conjugate
()¶ Returns self, the complex conjugate of any int.
-
denominator
¶ the denominator of a rational number in lowest terms
-
from_bytes
(bytes, byteorder, *, signed=False) → int¶ Return the integer represented by the given array of bytes.
The bytes argument must be a bytes-like object (e.g. bytes or bytearray).
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument indicates whether two’s complement is used to represent the integer.
-
imag
¶ the imaginary part of a complex number
-
numerator
¶ the numerator of a rational number in lowest terms
-
real
¶ the real part of a complex number
-
to_bytes
(length, byteorder, *, signed=False) → bytes¶ Return an array of bytes representing an integer.
The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.
-
-
NoLayoutChangeHint
= 0¶
-
VerticalSortHint
= 1¶
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.application.jaguar.gui.tabs.optimization_tab', '__doc__': '\n A proxy model that allows to hide columns.\n ', 'COLUMN': <schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinateColumns object>, '__init__': <function ConstraintCoordinatesProxyModel.__init__>, 'filterAcceptsColumn': <function ConstraintCoordinatesProxyModel.filterAcceptsColumn>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattr__
(self, str) → object¶
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.application.jaguar.gui.tabs.optimization_tab'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
beginInsertColumns
(self, QModelIndex, int, int)¶
-
beginInsertRows
(self, QModelIndex, int, int)¶
-
beginMoveColumns
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
beginMoveRows
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
beginRemoveColumns
(self, QModelIndex, int, int)¶
-
beginRemoveRows
(self, QModelIndex, int, int)¶
-
beginResetModel
(self)¶
-
blockSignals
(self, bool) → bool¶
-
buddy
(self, QModelIndex) → QModelIndex¶
-
canDropMimeData
(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool¶
-
canFetchMore
(self, QModelIndex) → bool¶
-
changePersistentIndex
(self, QModelIndex, QModelIndex)¶
-
changePersistentIndexList
(self, object, object)¶
-
childEvent
(self, QChildEvent)¶
-
children
(self) → object¶
-
columnCount
(self, parent: QModelIndex = QModelIndex()) → int¶
-
columnsAboutToBeInserted
¶ columnsAboutToBeInserted(self, QModelIndex, int, int) [signal]
-
columnsAboutToBeMoved
¶ columnsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
columnsAboutToBeRemoved
¶ columnsAboutToBeRemoved(self, QModelIndex, int, int) [signal]
-
columnsInserted
¶ columnsInserted(self, QModelIndex, int, int) [signal]
-
columnsMoved
¶ columnsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
columnsRemoved
¶ columnsRemoved(self, QModelIndex, int, int) [signal]
-
connectNotify
(self, QMetaMethod)¶
-
createIndex
(self, int, int, object: object = 0) → QModelIndex¶
-
customEvent
(self, QEvent)¶
-
data
(self, QModelIndex, role: int = Qt.DisplayRole) → Any¶
-
dataChanged
¶ dataChanged(self, QModelIndex, QModelIndex, Iterable[int] = []) [signal]
-
decodeData
(self, int, int, QModelIndex, QDataStream) → bool¶
-
deleteLater
(self)¶
-
destroyed
¶ destroyed(self, QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
dropMimeData
(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → object¶
-
dynamicSortFilter
(self) → bool¶
-
encodeData
(self, object, QDataStream)¶
-
endInsertColumns
(self)¶
-
endInsertRows
(self)¶
-
endMoveColumns
(self)¶
-
endMoveRows
(self)¶
-
endRemoveColumns
(self)¶
-
endRemoveRows
(self)¶
-
endResetModel
(self)¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
fetchMore
(self, QModelIndex)¶
-
filterAcceptsRow
(self, int, QModelIndex) → bool¶
-
filterCaseSensitivity
(self) → Qt.CaseSensitivity¶
-
filterKeyColumn
(self) → int¶
-
filterRegExp
(self) → QRegExp¶
-
filterRole
(self) → int¶
-
findChild
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
flags
(self, QModelIndex) → Qt.ItemFlags¶
-
hasChildren
(self, parent: QModelIndex = QModelIndex()) → bool¶
-
hasIndex
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
headerData
(self, int, Qt.Orientation, role: int = Qt.DisplayRole) → Any¶
-
index
(self, int, int, parent: QModelIndex = QModelIndex()) → QModelIndex¶
-
inherits
(self, str) → bool¶
-
insertColumn
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertColumns
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertRow
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertRows
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
installEventFilter
(self, QObject)¶
-
invalidate
(self)¶
-
invalidateFilter
(self)¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isSortLocaleAware
(self) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
itemData
(self, QModelIndex) → Dict[int, Any]¶
-
killTimer
(self, int)¶
-
layoutAboutToBeChanged
¶ layoutAboutToBeChanged(self, object = QList<QPersistentModelIndex>(), QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]
-
layoutChanged
¶ layoutChanged(self, Iterable[QPersistentModelIndex] = [], QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]
-
lessThan
(self, QModelIndex, QModelIndex) → bool¶
-
mapFromSource
(self, QModelIndex) → QModelIndex¶
-
mapSelectionFromSource
(self, QItemSelection) → QItemSelection¶
-
mapSelectionToSource
(self, QItemSelection) → QItemSelection¶
-
mapToSource
(self, QModelIndex) → QModelIndex¶
-
match
(self, QModelIndex, int, Any, hits: int = 1, flags: Union[Qt.MatchFlags, Qt.MatchFlag] = Qt.MatchStartsWith|Qt.MatchWrap) → object¶
-
metaObject
(self) → QMetaObject¶
-
mimeData
(self, object) → QMimeData¶
-
mimeTypes
(self) → List[str]¶
-
modelAboutToBeReset
¶ modelAboutToBeReset(self) [signal]
-
modelReset
¶ modelReset(self) [signal]
-
moveColumn
(self, QModelIndex, int, QModelIndex, int) → bool¶
-
moveColumns
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
moveRow
(self, QModelIndex, int, QModelIndex, int) → bool¶
-
moveRows
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
parent
(self, QModelIndex) → QModelIndex¶ parent(self) -> QObject
-
persistentIndexList
(self) → object¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeColumn
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
removeColumns
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
removeEventFilter
(self, QObject)¶
-
removeRow
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
removeRows
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
resetInternalData
(self)¶
-
revert
(self)¶
-
roleNames
(self) → object¶
-
rowCount
(self, parent: QModelIndex = QModelIndex()) → int¶
-
rowsAboutToBeInserted
¶ rowsAboutToBeInserted(self, QModelIndex, int, int) [signal]
-
rowsAboutToBeMoved
¶ rowsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
rowsAboutToBeRemoved
¶ rowsAboutToBeRemoved(self, QModelIndex, int, int) [signal]
-
rowsInserted
¶ rowsInserted(self, QModelIndex, int, int) [signal]
-
rowsMoved
¶ rowsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
rowsRemoved
¶ rowsRemoved(self, QModelIndex, int, int) [signal]
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setData
(self, QModelIndex, Any, role: int = Qt.EditRole) → bool¶
-
setDynamicSortFilter
(self, bool)¶
-
setFilterCaseSensitivity
(self, Qt.CaseSensitivity)¶
-
setFilterFixedString
(self, str)¶
-
setFilterKeyColumn
(self, int)¶
-
setFilterRegExp
(self, QRegExp)¶ setFilterRegExp(self, str)
-
setFilterRole
(self, int)¶
-
setFilterWildcard
(self, str)¶
-
setHeaderData
(self, int, Qt.Orientation, Any, role: int = Qt.EditRole) → bool¶
-
setItemData
(self, QModelIndex, Dict[int, Any]) → bool¶
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
setSortCaseSensitivity
(self, Qt.CaseSensitivity)¶
-
setSortLocaleAware
(self, bool)¶
-
setSortRole
(self, int)¶
-
setSourceModel
(self, QAbstractItemModel)¶
-
sibling
(self, int, int, QModelIndex) → QModelIndex¶
-
signalsBlocked
(self) → bool¶
-
sort
(self, int, order: Qt.SortOrder = Qt.AscendingOrder)¶
-
sortCaseSensitivity
(self) → Qt.CaseSensitivity¶
-
sortColumn
(self) → int¶
-
sortOrder
(self) → Qt.SortOrder¶
-
sortRole
(self) → int¶
-
sourceModel
(self) → QAbstractItemModel¶
-
sourceModelChanged
¶ sourceModelChanged(self) [signal]
-
span
(self, QModelIndex) → QSize¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
submit
(self) → bool¶
-
supportedDragActions
(self) → Qt.DropActions¶
-
supportedDropActions
(self) → Qt.DropActions¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
-
class
schrodinger.application.jaguar.gui.tabs.optimization_tab.
ConstraintCoordinatesModel
(parent=None)¶ Bases:
schrodinger.application.jaguar.gui.tabs.coordinates.CoordinatesModel
A model to store scan tab coordinates data.
-
COLUMN
= <schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinateColumns object>¶
-
addCoordinate
(st, atoms, coordinate_type, target_value=None)¶ Add new coordinate row.
Parameters: - st (
schrodinger.structure.Structure
) – structure - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
- target_value (float) – target coordinate value
- st (
-
appendFromModel
(model)¶ Append the rows in the given model to this model
Type: ConstraintCoordinatesModel
Param: The model to append rows from
-
flags
(index)¶ Returns flags for the specified cell. Whether it is editable or not.
Parameters: index ( PyQt5.QtCore.QModelIndex
) – The index to retrieve flags for.
-
data
(index, role=0)¶ Retrieve the requested data
Parameters: - index (
PyQt5.QtCore.QModelIndex
) – The index to retrieve data for - role (int) – The role to retrieve data for
Returns: The requested data
- index (
-
setData
(index, value, role=2)¶ Modify coordinate values.
Parameters: - index (
QtCore.QModelIndex
) – the index of table cell - value (str) – new value
- role (int) – The role to set data for.
- index (
-
HorizontalSortHint
= 2¶
-
class
LayoutChangeHint
¶ Bases:
int
-
__abs__
¶ abs(self)
-
__add__
¶ Return self+value.
-
__and__
¶ Return self&value.
-
__bool__
¶ self != 0
-
__ceil__
()¶ Ceiling of an Integral returns itself.
-
__class__
¶ alias of
sip.enumtype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'PyQt5.QtCore', '__dict__': <attribute '__dict__' of 'LayoutChangeHint' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'LayoutChangeHint' objects>})¶
-
__dir__
() → list¶ default dir() implementation
-
__divmod__
¶ Return divmod(self, value).
-
__eq__
¶ Return self==value.
-
__float__
¶ float(self)
-
__floor__
()¶ Flooring an Integral returns itself.
-
__floordiv__
¶ Return self//value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getnewargs__
()¶
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__index__
¶ Return self converted to an integer, if self is suitable for use as an index into a list.
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__int__
¶ int(self)
-
__invert__
¶ ~self
-
__le__
¶ Return self<=value.
-
__lshift__
¶ Return self<<value.
-
__lt__
¶ Return self<value.
-
__mod__
¶ Return self%value.
-
__module__
= 'PyQt5.QtCore'¶
-
__mul__
¶ Return self*value.
-
__ne__
¶ Return self!=value.
-
__neg__
¶ -self
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__or__
¶ Return self|value.
-
__pos__
¶ +self
-
__pow__
¶ Return pow(self, value, mod).
-
__radd__
¶ Return value+self.
-
__rand__
¶ Return value&self.
-
__rdivmod__
¶ Return divmod(value, self).
-
__reduce__
()¶
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__rfloordiv__
¶ Return value//self.
-
__rlshift__
¶ Return value<<self.
-
__rmod__
¶ Return value%self.
-
__rmul__
¶ Return value*self.
-
__ror__
¶ Return value|self.
-
__round__
()¶ Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.
-
__rpow__
¶ Return pow(value, self, mod).
-
__rrshift__
¶ Return value>>self.
-
__rshift__
¶ Return self>>value.
-
__rsub__
¶ Return value-self.
-
__rtruediv__
¶ Return value/self.
-
__rxor__
¶ Return value^self.
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
()¶ Returns size in memory, in bytes
-
__str__
¶ Return str(self).
-
__sub__
¶ Return self-value.
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__truediv__
¶ Return self/value.
-
__trunc__
()¶ Truncating an Integral returns itself.
-
__xor__
¶ Return self^value.
-
bit_length
() → int¶ Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6
-
conjugate
()¶ Returns self, the complex conjugate of any int.
-
denominator
¶ the denominator of a rational number in lowest terms
-
from_bytes
(bytes, byteorder, *, signed=False) → int¶ Return the integer represented by the given array of bytes.
The bytes argument must be a bytes-like object (e.g. bytes or bytearray).
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument indicates whether two’s complement is used to represent the integer.
-
imag
¶ the imaginary part of a complex number
-
numerator
¶ the numerator of a rational number in lowest terms
-
real
¶ the real part of a complex number
-
to_bytes
(length, byteorder, *, signed=False) → bytes¶ Return an array of bytes representing an integer.
The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.
-
-
NoLayoutChangeHint
= 0¶
-
VerticalSortHint
= 1¶
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.application.jaguar.gui.tabs.optimization_tab', '__doc__': '\n A model to store scan tab coordinates data.\n ', 'COLUMN': <schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinateColumns object>, 'addCoordinate': <function ConstraintCoordinatesModel.addCoordinate>, 'appendFromModel': <function ConstraintCoordinatesModel.appendFromModel>, 'flags': <function ConstraintCoordinatesModel.flags>, 'data': <function ConstraintCoordinatesModel.data>, 'setData': <function ConstraintCoordinatesModel.setData>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattr__
(self, str) → object¶
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(parent=None)¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.application.jaguar.gui.tabs.optimization_tab'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
beginInsertColumns
(self, QModelIndex, int, int)¶
-
beginInsertRows
(self, QModelIndex, int, int)¶
-
beginMoveColumns
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
beginMoveRows
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
beginRemoveColumns
(self, QModelIndex, int, int)¶
-
beginRemoveRows
(self, QModelIndex, int, int)¶
-
beginResetModel
(self)¶
-
blockSignals
(self, bool) → bool¶
-
buddy
(self, QModelIndex) → QModelIndex¶
-
canDropMimeData
(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool¶
-
canFetchMore
(self, QModelIndex) → bool¶
-
changePersistentIndex
(self, QModelIndex, QModelIndex)¶
-
changePersistentIndexList
(self, object, object)¶
-
checkNewCoordinate
(atoms, coordinate_type)¶ This function check whether this coordinate is already present in this model.
Parameters: - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
Returns: True if this coordinate has not been found and False otherwise.
Return type: bool
-
childEvent
(self, QChildEvent)¶
-
children
(self) → object¶
-
columnCount
(parent=None)¶ Return the number of columns in the model
Parameters: parent – Unused, but preset for PyQt compatibility Returns: The number of columns in the model. Return type: int
-
columnsAboutToBeInserted
¶ columnsAboutToBeInserted(self, QModelIndex, int, int) [signal]
-
columnsAboutToBeMoved
¶ columnsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
columnsAboutToBeRemoved
¶ columnsAboutToBeRemoved(self, QModelIndex, int, int) [signal]
-
columnsInserted
¶ columnsInserted(self, QModelIndex, int, int) [signal]
-
columnsMoved
¶ columnsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
columnsRemoved
¶ columnsRemoved(self, QModelIndex, int, int) [signal]
-
connectNotify
(self, QMetaMethod)¶
-
createIndex
(self, int, int, object: object = 0) → QModelIndex¶
-
customEvent
(self, QEvent)¶
-
dataChanged
¶ dataChanged(self, QModelIndex, QModelIndex, Iterable[int] = []) [signal]
-
decodeData
(self, int, int, QModelIndex, QDataStream) → bool¶
-
deleteLater
(self)¶
-
destroyed
¶ destroyed(self, QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
dropMimeData
(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → object¶
-
encodeData
(self, object, QDataStream)¶
-
endInsertColumns
(self)¶
-
endInsertRows
(self)¶
-
endMoveColumns
(self)¶
-
endMoveRows
(self)¶
-
endRemoveColumns
(self)¶
-
endRemoveRows
(self)¶
-
endResetModel
(self)¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
fetchMore
(self, QModelIndex)¶
-
findChild
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
findCoordinate
(atoms, coordinate_type)¶ This function searches for coordinate defined by atoms list and coordinate type. If match is found this function returns row index and None otherwise.
Parameters: - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
Returns: row index if this coordinate has been found and None otherwise.
Return type: int or None
-
hasChildren
()¶
-
hasIndex
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
headerData
(section, orientation, role)¶ Retrieve the requested header data. This data is used to show Qt view column/row headers.
Parameters: - section (int) – The row/column number to retrieve header data for
- orientation (int) – The orientation of the header (Qt.Horizontal or Qt.Vertical) to retrieve data for
- role (int) – The role to retrieve header data for
-
index
(self, int, int, parent: QModelIndex = QModelIndex()) → QModelIndex¶
-
inherits
(self, str) → bool¶
-
insertColumn
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertColumns
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertRow
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertRows
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
installEventFilter
(self, QObject)¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
itemData
(self, QModelIndex) → object¶
-
killTimer
(self, int)¶
-
layoutAboutToBeChanged
¶ layoutAboutToBeChanged(self, object = QList<QPersistentModelIndex>(), QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]
-
layoutChanged
¶ layoutChanged(self, Iterable[QPersistentModelIndex] = [], QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]
-
match
(self, QModelIndex, int, Any, hits: int = 1, flags: Union[Qt.MatchFlags, Qt.MatchFlag] = Qt.MatchStartsWith|Qt.MatchWrap) → object¶
-
metaObject
(self) → QMetaObject¶
-
mimeData
(self, object) → QMimeData¶
-
mimeTypes
(self) → List[str]¶
-
modelAboutToBeReset
¶ modelAboutToBeReset(self) [signal]
-
modelReset
¶ modelReset(self) [signal]
-
moveColumn
(self, QModelIndex, int, QModelIndex, int) → bool¶
-
moveColumns
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
moveRow
(self, QModelIndex, int, QModelIndex, int) → bool¶
-
moveRows
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
parent
(self) → QObject¶
-
persistentIndexList
(self) → object¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeColumn
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
removeColumns
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
removeCoordinate
(atoms, coordinate_type)¶ This function searches for a given coordinate. If match is found coordinate is removed.
Parameters: - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
Returns: True if this coordinate was found and removed, False otherwise.
Return type: bool
-
removeEventFilter
(self, QObject)¶
-
removeRow
(row, parent=<PyQt5.QtCore.QModelIndex object>)¶ Removes the given row from the child items of the parent specified. Returns true if the row is removed; otherwise returns false.
Parameters: - row (int) – row index
- index (
QtCore.QModelIndex
) – parent index
Returns: True or False
Return type: bool
-
removeRows
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
reset
()¶ Remove any existing data
-
resetInternalData
(self)¶
-
revert
(self)¶
-
roleNames
(self) → object¶
-
rowCount
(parent=None)¶ Return the number of rows in the model
Parameters: parent – Unused, but preset for PyQt compatibility Returns: The number of rows in the model. Return type: int
-
rowsAboutToBeInserted
¶ rowsAboutToBeInserted(self, QModelIndex, int, int) [signal]
-
rowsAboutToBeMoved
¶ rowsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
rowsAboutToBeRemoved
¶ rowsAboutToBeRemoved(self, QModelIndex, int, int) [signal]
-
rowsInserted
¶ rowsInserted(self, QModelIndex, int, int) [signal]
-
rowsMoved
¶ rowsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
rowsRemoved
¶ rowsRemoved(self, QModelIndex, int, int) [signal]
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setHeaderData
(self, int, Qt.Orientation, Any, role: int = Qt.EditRole) → bool¶
-
setItemData
(self, QModelIndex, Dict[int, Any]) → bool¶
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
sibling
(self, int, int, QModelIndex) → QModelIndex¶
-
signalsBlocked
(self) → bool¶
-
sort
(self, int, order: Qt.SortOrder = Qt.AscendingOrder)¶
-
span
(self, QModelIndex) → QSize¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
submit
(self) → bool¶
-
supportedDragActions
(self) → Qt.DropActions¶
-
supportedDropActions
(self) → Qt.DropActions¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
-
class
schrodinger.application.jaguar.gui.tabs.optimization_tab.
ActiveOptimizationTab
(parent, input_selector=None)¶ Bases:
schrodinger.application.jaguar.gui.tabs.optimization_tab.OptimizationTab
Tab used in place of optimization tab in Transition State Search panel
Variables: activeConstraintsToggled ( PyQt5.QtCore.pyqtSignal
) – A signal emitted when the active constraints check box is toggled-
activeConstraintsToggled
¶
-
setup
()¶ Setup UI elements
-
saveSettings
(jag_input, eid=None)¶ Save per-atom settings to Jaguar input.
Parameters: - jag_input (
schrodinger.application.jaguar.input.JaguarInput
) – A JaguarInput object to save settings to - eid (str or None) – the eid to save settings for, always None because Transition State Search panel uses a MultiStructureTab
- jag_input (
-
loadConstraintCoordinates
(jag_input)¶ Load constraint coordinates from Jaguar handle.
Parameters: jag_input ( schrodinger.application.jaguar.input.JaguarInput
) – The Jaguar handle where tab settings are saved.
-
enableActiveChkIfConstraintsAdded
()¶ Enable the active constraints check box if there are constraints added to the list or disable it if there are not.
-
addCoordinate
(st, atoms, coordinate_type, target_value=None)¶ Add a coordinate and enable active checkbox if successfully added
-
deleteAllRows
()¶ Delete all constraint rows and disable active checkbox
-
deleteCurrentRow
()¶ Delete current row and disable active checkbox if no more rows remain
-
ALL_CONSTRAINTS_BUTTON
= {0: (True, 'Add Selected Atoms'), 1: (True, 'Add Selected Atoms'), 2: (True, 'Add Selected Atoms'), 3: (True, 'Add Selected Atoms'), 4: (True, 'Add All Atom Pairs'), 5: (True, 'Add All Bond Angles'), 6: (True, 'Add All Torsions')}¶
-
CONVERGENCE_CRITERIA
= {'Custom': 6, 'Default': 2, 'Loose': 3, 'Tight': 5}¶
-
COORDINATE_OPTS
= {'Cartesian': 0, 'Redundant internal': 1, 'Z-matrix': 2}¶
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
HELP_TOPIC
= 'JAGUAR_TOPIC_OPTIMIZATION_FOLDER'¶
-
INITIAL_HESSIAN
= {'Fischer-Almlof guess': -1, 'Quantum-mechanical': 4, 'Schlegel guess': 0, 'Unit Hessian': 1}¶
-
IgnoreMask
= 4¶
-
NAME
= 'Optimization'¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
__abs__
¶ abs(self)
-
__add__
¶ Return self+value.
-
__and__
¶ Return self&value.
-
__bool__
¶ self != 0
-
__ceil__
()¶ Ceiling of an Integral returns itself.
-
__class__
¶ alias of
sip.enumtype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'PyQt5.QtGui', '__dict__': <attribute '__dict__' of 'PaintDeviceMetric' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'PaintDeviceMetric' objects>})¶
-
__dir__
() → list¶ default dir() implementation
-
__divmod__
¶ Return divmod(self, value).
-
__eq__
¶ Return self==value.
-
__float__
¶ float(self)
-
__floor__
()¶ Flooring an Integral returns itself.
-
__floordiv__
¶ Return self//value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getnewargs__
()¶
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__index__
¶ Return self converted to an integer, if self is suitable for use as an index into a list.
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__int__
¶ int(self)
-
__invert__
¶ ~self
-
__le__
¶ Return self<=value.
-
__lshift__
¶ Return self<<value.
-
__lt__
¶ Return self<value.
-
__mod__
¶ Return self%value.
-
__module__
= 'PyQt5.QtGui'¶
-
__mul__
¶ Return self*value.
-
__ne__
¶ Return self!=value.
-
__neg__
¶ -self
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__or__
¶ Return self|value.
-
__pos__
¶ +self
-
__pow__
¶ Return pow(self, value, mod).
-
__radd__
¶ Return value+self.
-
__rand__
¶ Return value&self.
-
__rdivmod__
¶ Return divmod(value, self).
-
__reduce__
()¶
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__rfloordiv__
¶ Return value//self.
-
__rlshift__
¶ Return value<<self.
-
__rmod__
¶ Return value%self.
-
__rmul__
¶ Return value*self.
-
__ror__
¶ Return value|self.
-
__round__
()¶ Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.
-
__rpow__
¶ Return pow(value, self, mod).
-
__rrshift__
¶ Return value>>self.
-
__rshift__
¶ Return self>>value.
-
__rsub__
¶ Return value-self.
-
__rtruediv__
¶ Return value/self.
-
__rxor__
¶ Return value^self.
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
()¶ Returns size in memory, in bytes
-
__str__
¶ Return str(self).
-
__sub__
¶ Return self-value.
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__truediv__
¶ Return self/value.
-
__trunc__
()¶ Truncating an Integral returns itself.
-
__xor__
¶ Return self^value.
-
bit_length
() → int¶ Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6
-
conjugate
()¶ Returns self, the complex conjugate of any int.
-
denominator
¶ the denominator of a rational number in lowest terms
-
from_bytes
(bytes, byteorder, *, signed=False) → int¶ Return the integer represented by the given array of bytes.
The bytes argument must be a bytes-like object (e.g. bytes or bytearray).
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument indicates whether two’s complement is used to represent the integer.
-
imag
¶ the imaginary part of a complex number
-
numerator
¶ the numerator of a rational number in lowest terms
-
real
¶ the real part of a complex number
-
to_bytes
(length, byteorder, *, signed=False) → bytes¶ Return an array of bytes representing an integer.
The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.
-
-
PdmDepth
= 6¶
-
PdmDevicePixelRatio
= 11¶
-
PdmDevicePixelRatioScaled
= 12¶
-
PdmDpiX
= 7¶
-
PdmDpiY
= 8¶
-
PdmHeight
= 2¶
-
PdmHeightMM
= 4¶
-
PdmNumColors
= 5¶
-
PdmPhysicalDpiX
= 9¶
-
PdmPhysicalDpiY
= 10¶
-
PdmWidth
= 1¶
-
PdmWidthMM
= 3¶
-
class
RenderFlag
¶ Bases:
int
-
__abs__
¶ abs(self)
-
__add__
¶ Return self+value.
-
__and__
¶ Return self&value.
-
__bool__
¶ self != 0
-
__ceil__
()¶ Ceiling of an Integral returns itself.
-
__class__
¶ alias of
sip.enumtype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'PyQt5.QtWidgets', '__or__': <slot wrapper '__or__' of 'RenderFlag' objects>, '__ror__': <slot wrapper '__ror__' of 'RenderFlag' objects>, '__dict__': <attribute '__dict__' of 'RenderFlag' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'RenderFlag' objects>})¶
-
__dir__
() → list¶ default dir() implementation
-
__divmod__
¶ Return divmod(self, value).
-
__eq__
¶ Return self==value.
-
__float__
¶ float(self)
-
__floor__
()¶ Flooring an Integral returns itself.
-
__floordiv__
¶ Return self//value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getnewargs__
()¶
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__index__
¶ Return self converted to an integer, if self is suitable for use as an index into a list.
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__int__
¶ int(self)
-
__invert__
¶ ~self
-
__le__
¶ Return self<=value.
-
__lshift__
¶ Return self<<value.
-
__lt__
¶ Return self<value.
-
__mod__
¶ Return self%value.
-
__module__
= 'PyQt5.QtWidgets'¶
-
__mul__
¶ Return self*value.
-
__ne__
¶ Return self!=value.
-
__neg__
¶ -self
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__or__
¶ Return self|value.
-
__pos__
¶ +self
-
__pow__
¶ Return pow(self, value, mod).
-
__radd__
¶ Return value+self.
-
__rand__
¶ Return value&self.
-
__rdivmod__
¶ Return divmod(value, self).
-
__reduce__
()¶
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__rfloordiv__
¶ Return value//self.
-
__rlshift__
¶ Return value<<self.
-
__rmod__
¶ Return value%self.
-
__rmul__
¶ Return value*self.
-
__ror__
¶ Return value|self.
-
__round__
()¶ Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.
-
__rpow__
¶ Return pow(value, self, mod).
-
__rrshift__
¶ Return value>>self.
-
__rshift__
¶ Return self>>value.
-
__rsub__
¶ Return value-self.
-
__rtruediv__
¶ Return value/self.
-
__rxor__
¶ Return value^self.
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
()¶ Returns size in memory, in bytes
-
__str__
¶ Return str(self).
-
__sub__
¶ Return self-value.
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__truediv__
¶ Return self/value.
-
__trunc__
()¶ Truncating an Integral returns itself.
-
__xor__
¶ Return self^value.
-
bit_length
() → int¶ Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6
-
conjugate
()¶ Returns self, the complex conjugate of any int.
-
denominator
¶ the denominator of a rational number in lowest terms
-
from_bytes
(bytes, byteorder, *, signed=False) → int¶ Return the integer represented by the given array of bytes.
The bytes argument must be a bytes-like object (e.g. bytes or bytearray).
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument indicates whether two’s complement is used to represent the integer.
-
imag
¶ the imaginary part of a complex number
-
numerator
¶ the numerator of a rational number in lowest terms
-
real
¶ the real part of a complex number
-
to_bytes
(length, byteorder, *, signed=False) → bytes¶ Return an array of bytes representing an integer.
The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.
The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.
The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.
-
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__and__
¶ Return self&value.
-
__bool__
¶ self != 0
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'PyQt5.QtWidgets', '__hash__': <slot wrapper '__hash__' of 'RenderFlags' objects>, '__lt__': <slot wrapper '__lt__' of 'RenderFlags' objects>, '__le__': <slot wrapper '__le__' of 'RenderFlags' objects>, '__eq__': <slot wrapper '__eq__' of 'RenderFlags' objects>, '__ne__': <slot wrapper '__ne__' of 'RenderFlags' objects>, '__gt__': <slot wrapper '__gt__' of 'RenderFlags' objects>, '__ge__': <slot wrapper '__ge__' of 'RenderFlags' objects>, '__bool__': <slot wrapper '__bool__' of 'RenderFlags' objects>, '__invert__': <slot wrapper '__invert__' of 'RenderFlags' objects>, '__and__': <slot wrapper '__and__' of 'RenderFlags' objects>, '__rand__': <slot wrapper '__rand__' of 'RenderFlags' objects>, '__xor__': <slot wrapper '__xor__' of 'RenderFlags' objects>, '__rxor__': <slot wrapper '__rxor__' of 'RenderFlags' objects>, '__or__': <slot wrapper '__or__' of 'RenderFlags' objects>, '__ror__': <slot wrapper '__ror__' of 'RenderFlags' objects>, '__int__': <slot wrapper '__int__' of 'RenderFlags' objects>, '__iand__': <slot wrapper '__iand__' of 'RenderFlags' objects>, '__ixor__': <slot wrapper '__ixor__' of 'RenderFlags' objects>, '__ior__': <slot wrapper '__ior__' of 'RenderFlags' objects>, '__weakref__': <attribute '__weakref__' of 'RenderFlags' objects>, '__doc__': 'QWidget.RenderFlags()\nQWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag])\nQWidget.RenderFlags(QWidget.RenderFlags)'})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__iand__
¶ Return self&=value.
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__int__
¶ int(self)
-
__invert__
¶ ~self
-
__ior__
¶ Return self|=value.
-
__ixor__
¶ Return self^=value.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'PyQt5.QtWidgets'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__or__
¶ Return self|value.
-
__rand__
¶ Return value&self.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__ror__
¶ Return value|self.
-
__rxor__
¶ Return value^self.
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
__xor__
¶ Return self^value.
-
-
UI_MODULES
= (<module 'schrodinger.application.jaguar.gui.ui.optimization_tab_ui' from '/scr/buildbot/savedbuilds/2018-4/NB/build-145/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/optimization_tab_ui.py'>,)¶
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.application.jaguar.gui.tabs.optimization_tab', '__doc__': '\n Tab used in place of optimization tab in Transition State Search panel\n\n :cvar activeConstraintsToggled: A signal emitted when the active constraints check\n box is toggled\n :vartype activeConstraintsToggled: `PyQt5.QtCore.pyqtSignal`\n ', 'activeConstraintsToggled': <unbound PYQT_SIGNAL ActiveOptimizationTab.activeConstraintsToggled[bool]>, 'setup': <function ActiveOptimizationTab.setup>, 'saveSettings': <function ActiveOptimizationTab.saveSettings>, 'loadConstraintCoordinates': <function ActiveOptimizationTab.loadConstraintCoordinates>, 'enableActiveChkIfConstraintsAdded': <function ActiveOptimizationTab.enableActiveChkIfConstraintsAdded>, 'addCoordinate': <function ActiveOptimizationTab.addCoordinate>, 'deleteAllRows': <function ActiveOptimizationTab.deleteAllRows>, 'deleteCurrentRow': <function ActiveOptimizationTab.deleteCurrentRow>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattr__
(self, str) → object¶
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(parent, input_selector=None)¶ Perform common tab initialization. All tab specific initialization should go in setup().
Parameters: - parent (
PyQt5.QtWidgets.QWidget
) – The Qt parent widget - input_selector (
schrodinger.ui.qt.input_selector.InputSelector
) – The panel’s input selector widget, if available.
- parent (
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.application.jaguar.gui.tabs.optimization_tab'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
acceptDrops
(self) → bool¶
-
accessibleDescription
(self) → str¶
-
accessibleName
(self) → str¶
-
actionEvent
(self, QActionEvent)¶
-
actions
(self) → List[QAction]¶
-
activate
()¶ This function will be called whenever the user selects this tab. Subclasses can override it if necessary to, e.g., activate picking.
-
activateWindow
(self)¶
-
addAction
(self, QAction)¶
-
addActions
(self, object)¶
-
addConsButtonPressed
()¶ This function is called when ‘add all constraints/add selected atoms’ button is clicked. It determines current coordinate type and calls appropriate function to add all/selected constraints.
-
adjustSize
(self)¶
-
allCoordinatesDeleted
¶
-
autoFillBackground
(self) → bool¶
-
backgroundRole
(self) → QPalette.ColorRole¶
-
baseSize
(self) → QSize¶
-
blockSignals
(self, bool) → bool¶
-
changeEvent
(self, QEvent)¶
-
childAt
(self, QPoint) → QWidget¶ childAt(self, int, int) -> QWidget
-
childEvent
(self, QChildEvent)¶
-
children
(self) → object¶
-
childrenRect
(self) → QRect¶
-
childrenRegion
(self) → QRegion¶
-
clearFocus
(self)¶
-
clearMask
(self)¶
-
close
(self) → bool¶
-
closeEvent
(self, QCloseEvent)¶
-
colorCount
(self) → int¶
-
connectNotify
(self, QMetaMethod)¶
-
contentsMargins
(self) → QMargins¶
-
contentsRect
(self) → QRect¶
-
contextMenuEvent
(self, QContextMenuEvent)¶
-
contextMenuPolicy
(self) → Qt.ContextMenuPolicy¶
-
convergenceTypeChanged
(index)¶ This function is called when convergence type is changed. If ‘Custom’ is selected extra options frame is shown. Otherwise, it is hidden.
Parameters: index (int) – convergence type combo box index
-
coordinateAdded
¶
-
coordinateDeleted
¶
-
coordinateDeselected
¶
-
coordinateSelected
¶
-
create
(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)¶
-
createWindowContainer
(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget¶
-
cursor
(self) → QCursor¶
-
customContextMenuRequested
¶ customContextMenuRequested(self, QPoint) [signal]
-
customEvent
(self, QEvent)¶
-
deactivate
()¶ This function will be called whenever the user selects a different tab. Subclasses can override it if necessary to, e.g., deactivate picking.
-
deleteLater
(self)¶
-
depth
(self) → int¶
-
destroy
(self, destroyWindow: bool = True, destroySubWindows: bool = True)¶
-
destroyed
¶ destroyed(self, QObject = None) [signal]
-
devType
(self) → int¶
-
devicePixelRatio
(self) → int¶
-
devicePixelRatioF
(self) → float¶
-
devicePixelRatioFScale
() → float¶
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
dragEnterEvent
(self, QDragEnterEvent)¶
-
dragLeaveEvent
(self, QDragLeaveEvent)¶
-
dragMoveEvent
(self, QDragMoveEvent)¶
-
dropEvent
(self, QDropEvent)¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → object¶
-
effectiveWinId
(self) → sip.voidptr¶
-
ensurePolished
(self)¶
-
enterEvent
(self, QEvent)¶
-
error
(msg)¶ Display an error dialog with the specified message
Parameters: msg (str) – The message to include in the error dialog
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
find
(sip.voidptr) → QWidget¶
-
findChild
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
focusInEvent
(self, QFocusEvent)¶
-
focusNextChild
(self) → bool¶
-
focusNextPrevChild
(self, bool) → bool¶
-
focusOutEvent
(self, QFocusEvent)¶
-
focusPolicy
(self) → Qt.FocusPolicy¶
-
focusPreviousChild
(self) → bool¶
-
focusProxy
(self) → QWidget¶
-
focusWidget
(self) → QWidget¶
-
font
(self) → QFont¶
-
fontInfo
(self) → QFontInfo¶
-
fontMetrics
(self) → QFontMetrics¶
-
foregroundRole
(self) → QPalette.ColorRole¶
-
frameGeometry
(self) → QRect¶
-
frameSize
(self) → QSize¶
-
geometry
(self) → QRect¶
-
getAllAngles
(st)¶ This function returns list that contains lists of atoms for each bond angle in a given structure.
Parameters: st ( schrodinger.structure.Structure
) – structureReturns: list that contains lists of atom indices for each bond angle Return type: list
-
getAllAtomPairs
(st)¶ This function returns a list of all possible atom pairs in a given structure.
Parameters: st ( schrodinger.structure.Structure
) – structureReturns: list that contains pairs of atom indices Return type: list
-
getAllTorsions
(st)¶ This function returns list that contains lists of atoms for each torsion angle in a given structure.
Parameters: st ( schrodinger.structure.Structure
) – structureReturns: list that contains lists of atom indices for each torsion Return type: list
-
getContentsMargins
(self) → Tuple[int, int, int, int]¶
-
getConvergenceKeywords
()¶ Get keywords from convergence criteria widgets.
Returns: A dictionary of keywords Return type: dict
-
getDefaultKeywords
()¶ Get the default keywords for this tab. Note that defaults that exist in mmjag should not be explicitly set here.
-
getMmJagKeywords
()¶ This function returns dictionary of mmjag keywords for this tab. Since this tab does not set any keywords it returns an empty dictionary.
Returns: mmjag keywords dictionary Return type: dict
-
grab
(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap¶
-
grabGesture
(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())¶
-
grabKeyboard
(self)¶
-
grabMouse
(self)¶ grabMouse(self, Union[QCursor, Qt.CursorShape])
-
grabShortcut
(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int¶
-
graphicsEffect
(self) → QGraphicsEffect¶
-
graphicsProxyWidget
(self) → QGraphicsProxyWidget¶
-
hasFocus
(self) → bool¶
-
hasHeightForWidth
(self) → bool¶
-
hasMouseTracking
(self) → bool¶
-
hasTabletTracking
(self) → bool¶
-
height
(self) → int¶
-
heightForWidth
(self, int) → int¶
-
heightMM
(self) → int¶
-
hide
(self)¶
-
hideEvent
(self, QHideEvent)¶
-
inherits
(self, str) → bool¶
-
initPainter
(self, QPainter)¶
-
inputMethodEvent
(self, QInputMethodEvent)¶
-
inputMethodHints
(self) → Qt.InputMethodHints¶
-
inputMethodQuery
(self, Qt.InputMethodQuery) → Any¶
-
insertAction
(self, QAction, QAction)¶
-
insertActions
(self, QAction, Iterable[QAction])¶
-
installEventFilter
(self, QObject)¶
-
isActiveWindow
(self) → bool¶
-
isAncestorOf
(self, QWidget) → bool¶
-
isEnabled
(self) → bool¶
-
isEnabledTo
(self, QWidget) → bool¶
-
isFullScreen
(self) → bool¶
-
isHidden
(self) → bool¶
-
isLeftToRight
(self) → bool¶
-
isMaximized
(self) → bool¶
-
isMinimized
(self) → bool¶
-
isModal
(self) → bool¶
-
isRightToLeft
(self) → bool¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isVisible
(self) → bool¶
-
isVisibleTo
(self, QWidget) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindow
(self) → bool¶
-
isWindowModified
(self) → bool¶
-
isWindowType
(self) → bool¶
-
keyPressEvent
(self, QKeyEvent)¶
-
keyReleaseEvent
(self, QKeyEvent)¶
-
keyboardGrabber
() → QWidget¶
-
killTimer
(self, int)¶
-
layout
(self) → QLayout¶
-
layoutDirection
(self) → Qt.LayoutDirection¶
-
leaveEvent
(self, QEvent)¶
-
loadConvergenceKeywords
(jag_input)¶ Load the convergence criteria settings.
Parameters: jag_input ( schrodinger.application.jaguar.input.JaguarInput
) – The Jaguar settings to load.
-
loadPerAtomSettings
(jag_input, eid=None, title=None)¶ Restore per-atom tab settings from mmjag keywords. This function should be defined in subclasses for any tabs that contain per-atom settings.
Parameters: - jag_input (
schrodinger.application.jaguar.input.JaguarInput
) – The Jaguar settings to base the tab settings on - eid (str) – The entry id of the structure in
jag_input
- title (str) – The title of the structure in
jag_input
- jag_input (
-
loadSettings
(jag_input)¶ Restore scan coordinates settings from Jaguar handle.
Parameters: jag_input ( schrodinger.application.jaguar.input.JaguarInput
) – The Jaguar settings to base the tab settings on
-
locale
(self) → QLocale¶
-
logicalDpiX
(self) → int¶
-
logicalDpiY
(self) → int¶
-
lower
(self)¶
-
mapFrom
(self, QWidget, QPoint) → QPoint¶
-
mapFromGlobal
(self, QPoint) → QPoint¶
-
mapFromParent
(self, QPoint) → QPoint¶
-
mapTo
(self, QWidget, QPoint) → QPoint¶
-
mapToGlobal
(self, QPoint) → QPoint¶
-
mapToParent
(self, QPoint) → QPoint¶
-
mask
(self) → QRegion¶
-
maximumHeight
(self) → int¶
-
maximumSize
(self) → QSize¶
-
maximumWidth
(self) → int¶
-
metaObject
(self) → QMetaObject¶
-
metric
(self, QPaintDevice.PaintDeviceMetric) → int¶
-
minimumHeight
(self) → int¶
-
minimumSize
(self) → QSize¶
-
minimumSizeHint
(self) → QSize¶
-
minimumWidth
(self) → int¶
-
mouseDoubleClickEvent
(self, QMouseEvent)¶
-
mouseGrabber
() → QWidget¶
-
mouseMoveEvent
(self, QMouseEvent)¶
-
mousePressEvent
(self, QMouseEvent)¶
-
mouseReleaseEvent
(self, QMouseEvent)¶
-
move
(self, QPoint)¶ move(self, int, int)
-
moveEvent
(self, QMoveEvent)¶
-
moveToThread
(self, QThread)¶
-
nativeEvent
(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]¶
-
nativeParentWidget
(self) → QWidget¶
-
nextInFocusChain
(self) → QWidget¶
-
normalGeometry
(self) → QRect¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
overrideWindowFlags
(self, Union[Qt.WindowFlags, Qt.WindowType])¶
-
overrideWindowState
(self, Union[Qt.WindowStates, Qt.WindowState])¶
-
paintEngine
(self) → QPaintEngine¶
-
paintEvent
(self, QPaintEvent)¶
-
paintingActive
(self) → bool¶
-
palette
(self) → QPalette¶
-
parent
(self) → QObject¶
-
parentWidget
(self) → QWidget¶
-
physicalDpiX
(self) → int¶
-
physicalDpiY
(self) → int¶
-
pickCompleted
(atoms)¶ This slot is called when required number of atoms for the current coordinate type has been picked.
Parameters: atoms (list) – list of atom indices
-
pos
(self) → QPoint¶
-
previousInFocusChain
(self) → QWidget¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
raise_
(self)¶
-
receivers
(self, PYQT_SIGNAL) → int¶
-
rect
(self) → QRect¶
-
refreshMarkers
¶
-
releaseKeyboard
(self)¶
-
releaseMouse
(self)¶
-
releaseShortcut
(self, int)¶
-
removeAction
(self, QAction)¶
-
removeEventFilter
(self, QObject)¶
-
render
(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))¶ render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))
-
repaint
(self)¶ repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)
-
reset
()¶ Reset the tab to its original state. Note that this function is only necessary for settings that are not stored in the mmjag handle. For mmjag settings, reset will be carried out using
loadSettings
with a defaultschrodinger.application.jaguar.input.JaguarInput
object. This function should only be defined in subclasses if there are any settings that cannot be reset vialoadSettings
.
-
resize
(self, QSize)¶ resize(self, int, int)
-
resizeEvent
(self, QResizeEvent)¶
-
restoreGeometry
(self, Union[QByteArray, bytes, bytearray]) → bool¶
-
saveGeometry
(self) → QByteArray¶
-
scroll
(self, int, int)¶ scroll(self, int, int, QRect)
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setAcceptDrops
(self, bool)¶
-
setAcceptableContraintEids
(eids, picking_err)¶ Set the constraint picking restrictions
Parameters: - eids (set) – The entry ids for which coordinate picking is acceptable.
- picking_err (str or NoneType) – If picking should not be allowed at all, this is the text of the error that will displayed to the user. If picking is allowed, should be None.
-
setAccessibleDescription
(self, str)¶
-
setAccessibleName
(self, str)¶
-
setAttribute
(self, Qt.WidgetAttribute, on: bool = True)¶
-
setAutoFillBackground
(self, bool)¶
-
setBackgroundRole
(self, QPalette.ColorRole)¶
-
setBaseSize
(self, int, int)¶ setBaseSize(self, QSize)
-
setContentsMargins
(self, int, int, int, int)¶ setContentsMargins(self, QMargins)
-
setContextMenuPolicy
(self, Qt.ContextMenuPolicy)¶
-
setCursor
(self, Union[QCursor, Qt.CursorShape])¶
-
setDisabled
(self, bool)¶
-
setEnabled
(self, bool)¶
-
setFixedHeight
(self, int)¶
-
setFixedSize
(self, QSize)¶ setFixedSize(self, int, int)
-
setFixedWidth
(self, int)¶
-
setFocus
(self)¶ setFocus(self, Qt.FocusReason)
-
setFocusPolicy
(self, Qt.FocusPolicy)¶
-
setFocusProxy
(self, QWidget)¶
-
setFont
(self, QFont)¶
-
setForegroundRole
(self, QPalette.ColorRole)¶
-
setGeometry
(self, QRect)¶ setGeometry(self, int, int, int, int)
-
setGraphicsEffect
(self, QGraphicsEffect)¶
-
setHidden
(self, bool)¶
-
setInputMethodHints
(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])¶
-
setLayout
(self, QLayout)¶
-
setLayoutDirection
(self, Qt.LayoutDirection)¶
-
setLocale
(self, QLocale)¶
-
setMask
(self, QBitmap)¶ setMask(self, QRegion)
-
setMaximumHeight
(self, int)¶
-
setMaximumSize
(self, int, int)¶ setMaximumSize(self, QSize)
-
setMaximumWidth
(self, int)¶
-
setMinimumHeight
(self, int)¶
-
setMinimumSize
(self, int, int)¶ setMinimumSize(self, QSize)
-
setMinimumWidth
(self, int)¶
-
setMouseTracking
(self, bool)¶
-
setObjectName
(self, str)¶
-
setPalette
(self, QPalette)¶
-
setParent
(self, QWidget)¶ setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])
-
setProperty
(self, str, Any) → bool¶
-
setShortcutAutoRepeat
(self, int, enabled: bool = True)¶
-
setShortcutEnabled
(self, int, enabled: bool = True)¶
-
setSizeIncrement
(self, int, int)¶ setSizeIncrement(self, QSize)
-
setSizePolicy
(self, QSizePolicy)¶ setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)
-
setStatusTip
(self, str)¶
-
setStyle
(self, QStyle)¶
-
setStyleSheet
(self, str)¶
-
setTabOrder
(QWidget, QWidget)¶
-
setTabletTracking
(self, bool)¶
-
setToolTip
(self, str)¶
-
setToolTipDuration
(self, int)¶
-
setUpdatesEnabled
(self, bool)¶
-
setVisible
(self, bool)¶
-
setWhatsThis
(self, str)¶
-
setWindowFilePath
(self, str)¶
-
setWindowFlag
(self, Qt.WindowType, on: bool = True)¶
-
setWindowFlags
(self, Union[Qt.WindowFlags, Qt.WindowType])¶
-
setWindowIcon
(self, QIcon)¶
-
setWindowIconText
(self, str)¶
-
setWindowModality
(self, Qt.WindowModality)¶
-
setWindowModified
(self, bool)¶
-
setWindowOpacity
(self, float)¶
-
setWindowRole
(self, str)¶
-
setWindowState
(self, Union[Qt.WindowStates, Qt.WindowState])¶
-
setWindowTitle
(self, str)¶
-
show
(self)¶
-
showEvent
(self, QShowEvent)¶
-
showFullScreen
(self)¶
-
showMaximized
(self)¶
-
showMinimized
(self)¶
-
showNormal
(self)¶
-
signalsBlocked
(self) → bool¶
-
size
(self) → QSize¶
-
sizeHint
(self) → QSize¶
-
sizeIncrement
(self) → QSize¶
-
sizePolicy
(self) → QSizePolicy¶
-
stackUnder
(self, QWidget)¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
statusTip
(self) → str¶
-
stopPicking
()¶ Stop constraint picking
-
style
(self) → QStyle¶
-
styleSheet
(self) → str¶
-
tabletEvent
(self, QTabletEvent)¶
-
testAttribute
(self, Qt.WidgetAttribute) → bool¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
toolTip
(self) → str¶
-
toolTipDuration
(self) → int¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
underMouse
(self) → bool¶
-
ungrabGesture
(self, Qt.GestureType)¶
-
unsetCursor
(self)¶
-
unsetLayoutDirection
(self)¶
-
unsetLocale
(self)¶
-
update
(self)¶ update(self, QRect) update(self, QRegion) update(self, int, int, int, int)
-
updateAllConstraintsPB
()¶ This function is called when coordinate type is changed to update text and visibility of the button that adds all constraints.
-
updateGeometry
(self)¶
-
updateMicroFocus
(self)¶
-
updatesEnabled
(self) → bool¶
-
validate
()¶ Make sure that the tab settings will allow a job to be run successfully. Note that this validation should not be redundant with that performed in
getMmJagKeywords
. Any tab setting that prevents valid mmjag keywords from being generated should causegetMmJagKeywords
to raise a JaguarSettingError. Any tab setting that allows mmjag keywords to be successfully generated but will result in a job failure should cause avalidate
fail. This function should be defined in subclasses if validation is needed.Returns: If the validation passes, None is returned. If the validation fails, a string that describes the error is returned. Return type: str or NoneType
-
visibleRegion
(self) → QRegion¶
-
warning
(msg)¶ Display a warning dialog with the specified message
Parameters: msg (str) – The message to include in the warning dialog
-
whatsThis
(self) → str¶
-
wheelEvent
(self, QWheelEvent)¶
-
width
(self) → int¶
-
widthMM
(self) → int¶
-
winId
(self) → sip.voidptr¶
-
window
(self) → QWidget¶
-
windowFilePath
(self) → str¶
-
windowFlags
(self) → Qt.WindowFlags¶
-
windowHandle
(self) → QWindow¶
-
windowIcon
(self) → QIcon¶
-
windowIconChanged
¶ windowIconChanged(self, QIcon) [signal]
-
windowIconText
(self) → str¶
-
windowIconTextChanged
¶ windowIconTextChanged(self, str) [signal]
-
windowModality
(self) → Qt.WindowModality¶
-
windowOpacity
(self) → float¶
-
windowRole
(self) → str¶
-
windowState
(self) → Qt.WindowStates¶
-
windowTitle
(self) → str¶
-
windowTitleChanged
¶ windowTitleChanged(self, str) [signal]
-
windowType
(self) → Qt.WindowType¶
-
x
(self) → int¶
-
y
(self) → int¶
-