schrodinger.application.jaguar.gui.edit_dialog module

class schrodinger.application.jaguar.gui.edit_dialog.EditDialog(parent, jag_input=None)

Bases: PyQt5.QtWidgets.QMainWindow

A dialog that allows JaguarInput objects to be directly edited.

Variables:

• accepted (PyQt5.QtCore.pyqtSignal) –

  A signal emitted when the user clicks OK. It is emitted with two arguments:

  • A schrodinger.application.jaguar.input.JaguarInput object representing the current dialog contents.
  • An integer flag indicating whether the structure in the schrodinger.application.jaguar.input.JaguarInput object is new. The flag is one of:
  • SAME_STRUCTURE: If neither the structure nor the workspace contents have changed
  • NEW_STRUCTURE: If the structure has changed.
  • RELOAD_STRUCTURE: If the structure has not changed, but the workspace contents have been changed via a preview. In these cases, the workspace contents should be reset.

• run_requested (PyQt5.QtCore.pyqtSignal) – A signal emitted when the user selects Run from the File menu. This signal is emitted with one argument, a schrodinger.application.jaguar.input.JaguarInput object to run. Actually running the job is the responsibility of the parent widget.
• restore_workspace (PyQt5.QtCore.pyqtSignal) – A signal emitted when the user clicks Cancel after modifying the workspace via a preview. The parent widget is responsible for setting the workspace back to its previous state.
• _orig_text (str) – The text to revert back to if the user clicks Revert
• _full_text (str) – The full text of the input file being edited. Note that this variable is not kept fully up to date. The full text should always be retrieved via _getFullText.
• _orig_struc (schrodinger.structure.Structure) – The structure that was originally read into the dialog. Used to determine if the user has changed the structure.
• _cur_mode (int) – Whether the dialog is in “Input File” mode (WHOLE_FILE) or “Structure” mode SINGLE_STRUC
• _preview_ran (bool) – Whether or not the user has replaced the workspace via a Preview since the dialog was created.

accepted

run_requested

restore_workspace

WHOLE_FILE = 0

SINGLE_STRUC = 1

RELOAD_STRUCTURE = -1

SAME_STRUCTURE = 0

NEW_STRUCTURE = 1

__init__(parent, jag_input=None)

Create the dialog and load the specified JaguarInput object, if any.

Parameters:

• parent (PyQt5.QtWidgets.QWidget) – The Qt parent widget
• jag_input (schrodinger.application.jaguar.input.JaguarInput) – The JaguarInput object to edit. If not given, no text will be displayed.

loadMmJag(jag_input)

Load the specified JaguarInput object.

Parameters:jag_input (schrodinger.application.jaguar.input.JaguarInput) – The JaguarInput object to edit.

modeChanged()

Respond to the user switching between “Input file” and “Structure” via the radio buttons

accept()

Accept the edits and update the Jaguar panel.

Note:This function must not close this dialog, since we have to wait on the Jaguar panel to validate the emitted schrodinger.application.jaguar.input.JaguarInput object first. If the object passes validation, it is the responsibility of the Jaguar panel to close this dialog. Note:This function doesn’t run a preflight check before emiting the schrodinger.application.jaguar.input.JaguarInput object, since the user may still change options before running the job.

close()

Close the dialog without saving it’s contents. If the user has changed the workspace, the restore_workspace signal will be emitted.

preview()

Display the current structure in the workspace

help()

Launch help for this dialog

write()

Write the input file to disk

revert()

Revert the input script to its original state

convertToZMatrix()

Convert the structure currently in the text edit to internal coordinates (i.e. a Z-matrix).

convertToCartesian()

Convert the structure currently in the text edit to Coordinates coordinates

runJob()

Emit the run_requested signal with the current job settings.

viewAtomLabels(enabled)

Toggle showing atom labels.

Parameters:enabled (bool) – Whether atom labels should be turned on or off

error(msg)

Display the specified error. This function is required for the schrodinger.application.jaguar.gui.utils.catch_jag_errors decorator.

Parameters:msg (str) – The error to display

AllowNestedDocks = 2

AllowTabbedDocks = 4

AnimatedDocks = 1

class DockOption

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 'DockOption' objects>, '__ror__': <slot wrapper '__ror__' of 'DockOption' objects>, '__dict__': <attribute '__dict__' of 'DockOption' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'DockOption' 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 DockOptions

Bases: sip.simplewrapper

QMainWindow.DockOptions(Union[QMainWindow.DockOptions, QMainWindow.DockOption]) QMainWindow.DockOptions(QMainWindow.DockOptions)

__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 'DockOptions' objects>, '__lt__': <slot wrapper '__lt__' of 'DockOptions' objects>, '__le__': <slot wrapper '__le__' of 'DockOptions' objects>, '__eq__': <slot wrapper '__eq__' of 'DockOptions' objects>, '__ne__': <slot wrapper '__ne__' of 'DockOptions' objects>, '__gt__': <slot wrapper '__gt__' of 'DockOptions' objects>, '__ge__': <slot wrapper '__ge__' of 'DockOptions' objects>, '__bool__': <slot wrapper '__bool__' of 'DockOptions' objects>, '__invert__': <slot wrapper '__invert__' of 'DockOptions' objects>, '__and__': <slot wrapper '__and__' of 'DockOptions' objects>, '__rand__': <slot wrapper '__rand__' of 'DockOptions' objects>, '__xor__': <slot wrapper '__xor__' of 'DockOptions' objects>, '__rxor__': <slot wrapper '__rxor__' of 'DockOptions' objects>, '__or__': <slot wrapper '__or__' of 'DockOptions' objects>, '__ror__': <slot wrapper '__ror__' of 'DockOptions' objects>, '__int__': <slot wrapper '__int__' of 'DockOptions' objects>, '__iand__': <slot wrapper '__iand__' of 'DockOptions' objects>, '__ixor__': <slot wrapper '__ixor__' of 'DockOptions' objects>, '__ior__': <slot wrapper '__ior__' of 'DockOptions' objects>, '__weakref__': <attribute '__weakref__' of 'DockOptions' objects>, '__doc__': 'QMainWindow.DockOptions()\nQMainWindow.DockOptions(Union[QMainWindow.DockOptions, QMainWindow.DockOption])\nQMainWindow.DockOptions(QMainWindow.DockOptions)'})

__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.

DrawChildren = 2

DrawWindowBackground = 1

ForceTabbedDocks = 8

GroupedDragging = 32

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.

VerticalTabs = 16

__class__

alias of sip.wrappertype

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.application.jaguar.gui.edit_dialog', '__doc__': '\n A dialog that allows JaguarInput objects to be directly edited.\n\n :cvar accepted: A signal emitted when the user clicks OK. It is emitted\n with two arguments:\n - A `schrodinger.application.jaguar.input.JaguarInput` object\n representing the current dialog contents.\n - An integer flag indicating whether the structure in the\n `schrodinger.application.jaguar.input.JaguarInput` object is new. The\n flag is one of:\n - `SAME_STRUCTURE`: If neither the structure nor the workspace\n contents have changed\n - `NEW_STRUCTURE`: If the structure has changed.\n - `RELOAD_STRUCTURE`: If the structure has not changed, but the\n workspace contents have been changed via a preview. In these cases,\n the workspace contents should be reset.\n :vartype accepted: `PyQt5.QtCore.pyqtSignal`\n\n :cvar run_requested: A signal emitted when the user selects Run from the\n File menu. This signal is emitted with one argument, a\n `schrodinger.application.jaguar.input.JaguarInput` object to run. Actually\n running the job is the responsibility of the parent widget.\n :vartype run_requested: `PyQt5.QtCore.pyqtSignal`\n\n :cvar restore_workspace: A signal emitted when the user clicks Cancel after\n modifying the workspace via a preview. The parent widget is responsible for\n setting the workspace back to its previous state.\n :vartype restore_workspace: `PyQt5.QtCore.pyqtSignal`\n\n :ivar _orig_text: The text to revert back to if the user clicks Revert\n :vartype _orig_text: str\n\n :ivar _full_text: The full text of the input file being edited. Note that\n this variable is not kept fully up to date. The full text should always be\n retrieved via `_getFullText`.\n :vartype _full_text: str\n\n :ivar _orig_struc: The structure that was originally read into the dialog.\n Used to determine if the user has changed the structure.\n :vartype _orig_struc: `schrodinger.structure.Structure`\n\n :ivar _cur_mode: Whether the dialog is in "Input File" mode (`WHOLE_FILE`)\n or "Structure" mode `SINGLE_STRUC`\n :vartype _cur_mode: int\n\n :ivar _preview_ran: Whether or not the user has replaced the workspace via a\n Preview since the dialog was created.\n :vartype _preview_ran: bool\n ', 'accepted': <unbound PYQT_SIGNAL EditDialog.accepted[JaguarInput, int]>, 'run_requested': <unbound PYQT_SIGNAL EditDialog.run_requested[JaguarInput]>, 'restore_workspace': <unbound PYQT_SIGNAL EditDialog.restore_workspace[]>, 'WHOLE_FILE': 0, 'SINGLE_STRUC': 1, 'RELOAD_STRUCTURE': -1, 'SAME_STRUCTURE': 0, 'NEW_STRUCTURE': 1, '__init__': <function EditDialog.__init__>, 'loadMmJag': <function EditDialog.loadMmJag>, 'modeChanged': <function EditDialog.modeChanged>, '_getFullText': <function EditDialog._getFullText>, '_getStrucText': <function EditDialog._getStrucText>, '_replaceZMatText': <function EditDialog._replaceZMatText>, '_replaceStrucText': <function EditDialog._replaceStrucText>, '_replaceZVarText': <function EditDialog._replaceZVarText>, '_removeZVarText': <function EditDialog._removeZVarText>, '_genRegex': <function EditDialog._genRegex>, '_getCurrentText': <function EditDialog._getCurrentText>, 'accept': <function EditDialog.accept>, 'close': <function EditDialog.close>, 'preview': <function EditDialog.preview>, 'help': <function EditDialog.help>, 'write': <function EditDialog.write>, '_getJagInput': <function EditDialog._getJagInput>, 'revert': <function EditDialog.revert>, 'convertToZMatrix': <function EditDialog.convertToZMatrix>, 'convertToCartesian': <function EditDialog.convertToCartesian>, '_createJagInputForStrucConversion': <function EditDialog._createJagInputForStrucConversion>, 'runJob': <function EditDialog.runJob>, 'viewAtomLabels': <function EditDialog.viewAtomLabels>, 'error': <function EditDialog.error>, '_compareStrucs': <function EditDialog._compareStrucs>})

__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.edit_dialog'

__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]

activateWindow(self)

addAction(self, QAction)

addActions(self, object)

addDockWidget(self, Qt.DockWidgetArea, QDockWidget)

addDockWidget(self, Qt.DockWidgetArea, QDockWidget, Qt.Orientation)

addToolBar(self, Qt.ToolBarArea, QToolBar)

addToolBar(self, QToolBar) addToolBar(self, str) -> QToolBar

addToolBarBreak(self, area: Qt.ToolBarArea = Qt.TopToolBarArea)

adjustSize(self)

autoFillBackground(self) → bool

backgroundRole(self) → QPalette.ColorRole

baseSize(self) → QSize

blockSignals(self, bool) → bool

centralWidget(self) → QWidget

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)

closeEvent(self, QCloseEvent)

colorCount(self) → int

connectNotify(self, QMetaMethod)

contentsMargins(self) → QMargins

contentsRect(self) → QRect

contextMenuEvent(self, QContextMenuEvent)

contextMenuPolicy(self) → Qt.ContextMenuPolicy

corner(self, Qt.Corner) → Qt.DockWidgetArea

create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)

createPopupMenu(self) → QMenu

createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget

cursor(self) → QCursor

customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)

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)

dockOptions(self) → QMainWindow.DockOptions

dockWidgetArea(self, QDockWidget) → Qt.DockWidgetArea

documentMode(self) → bool

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)

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]

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)

iconSize(self) → QSize

iconSizeChanged

iconSizeChanged(self, QSize) [signal]

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])

insertToolBar(self, QToolBar, QToolBar)

insertToolBarBreak(self, QToolBar)

installEventFilter(self, QObject)

isActiveWindow(self) → bool

isAncestorOf(self, QWidget) → bool

isAnimated(self) → bool

isDockNestingEnabled(self) → 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

isSeparator(self, QPoint) → 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)

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

menuBar(self) → QMenuBar

menuWidget(self) → QWidget

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

releaseKeyboard(self)

releaseMouse(self)

releaseShortcut(self, int)

removeAction(self, QAction)

removeDockWidget(self, QDockWidget)

removeEventFilter(self, QObject)

removeToolBar(self, QToolBar)

removeToolBarBreak(self, QToolBar)

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)

resize(self, QSize)

resize(self, int, int)

resizeDocks(self, Iterable[QDockWidget], Iterable[int], Qt.Orientation)

resizeEvent(self, QResizeEvent)

restoreDockWidget(self, QDockWidget) → bool

restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool

restoreState(self, Union[QByteArray, bytes, bytearray], version: int = 0) → bool

saveGeometry(self) → QByteArray

saveState(self, version: int = 0) → QByteArray

scroll(self, int, int)

scroll(self, int, int, QRect)

sender(self) → QObject

senderSignalIndex(self) → int

setAcceptDrops(self, bool)

setAccessibleDescription(self, str)

setAccessibleName(self, str)

setAnimated(self, bool)

setAttribute(self, Qt.WidgetAttribute, on: bool = True)

setAutoFillBackground(self, bool)

setBackgroundRole(self, QPalette.ColorRole)

setBaseSize(self, int, int)

setBaseSize(self, QSize)

setCentralWidget(self, QWidget)

setContentsMargins(self, int, int, int, int)

setContentsMargins(self, QMargins)

setContextMenuPolicy(self, Qt.ContextMenuPolicy)

setCorner(self, Qt.Corner, Qt.DockWidgetArea)

setCursor(self, Union[QCursor, Qt.CursorShape])

setDisabled(self, bool)

setDockNestingEnabled(self, bool)

setDockOptions(self, Union[QMainWindow.DockOptions, QMainWindow.DockOption])

setDocumentMode(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)

setIconSize(self, QSize)

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)

setMenuBar(self, QMenuBar)

setMenuWidget(self, QWidget)

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)

setStatusBar(self, QStatusBar)

setStatusTip(self, str)

setStyle(self, QStyle)

setStyleSheet(self, str)

setTabOrder(QWidget, QWidget)

setTabPosition(self, Union[Qt.DockWidgetAreas, Qt.DockWidgetArea], QTabWidget.TabPosition)

setTabShape(self, QTabWidget.TabShape)

setTabletTracking(self, bool)

setToolButtonStyle(self, Qt.ToolButtonStyle)

setToolTip(self, str)

setToolTipDuration(self, int)

setUnifiedTitleAndToolBarOnMac(self, bool)

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)

sharedPainter(self) → QPainter

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

splitDockWidget(self, QDockWidget, QDockWidget, Qt.Orientation)

stackUnder(self, QWidget)

startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int

staticMetaObject = <PyQt5.QtCore.QMetaObject object>

statusBar(self) → QStatusBar

statusTip(self) → str

style(self) → QStyle

styleSheet(self) → str

tabPosition(self, Qt.DockWidgetArea) → QTabWidget.TabPosition

tabShape(self) → QTabWidget.TabShape

tabifiedDockWidgetActivated

tabifiedDockWidgetActivated(self, QDockWidget) [signal]

tabifiedDockWidgets(self, QDockWidget) → object

tabifyDockWidget(self, QDockWidget, QDockWidget)

tabletEvent(self, QTabletEvent)

takeCentralWidget(self) → QWidget

testAttribute(self, Qt.WidgetAttribute) → bool

thread(self) → QThread

timerEvent(self, QTimerEvent)

toolBarArea(self, QToolBar) → Qt.ToolBarArea

toolBarBreak(self, QToolBar) → bool

toolButtonStyle(self) → Qt.ToolButtonStyle

toolTip(self) → str

toolTipDuration(self) → int

tr(self, str, disambiguation: str = None, n: int = -1) → str

underMouse(self) → bool

ungrabGesture(self, Qt.GestureType)

unifiedTitleAndToolBarOnMac(self) → bool

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

visibleRegion(self) → QRegion

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