schrodinger.application.combiglide.connection_storage module

schrodinger.application.combiglide.connection_storage.get_connection_color(i)

Return the appropriate color for the i-th connection

Parameters:i (int) – The connection number to get colors for
Returns:The appropriate color, formatted as a list of three integers between 0 and 255
Return type:list
schrodinger.application.combiglide.connection_storage.get_color_list(i)

Return a list of colors from 0 to i

Parameters:i (int) – The connection number to get colors up to
Returns:A list of appropriate colors, where each color is formatted as a list of three integers between 0 and 255
Return type:list
schrodinger.application.combiglide.connection_storage.get_flat_color_list(i)

Return a flat list of colors from 0 to i

Parameters:i (int) – The connection number to get colors up to
Returns:A flat list of appropriate colors of length 3*i
Return type:list
schrodinger.application.combiglide.connection_storage.extend_connection_colors(idx)

Make sure that connection_colors is at least as long as the requested length

Parameters:i (int) – The desired length of connection_colors
schrodinger.application.combiglide.connection_storage.gen_random_color()

Generate a new random color

Returns:A random color, formatted as a list of three integers between 0 and 255
Return type:list
schrodinger.application.combiglide.connection_storage.reset_colors()

Reset the connection_colors list back to its original state. Intended for use in unit testing

class schrodinger.application.combiglide.connection_storage.ConnectionStorage

Bases: PyQt5.QtCore.QObject

This class is used to store the data of the current connection table.

__init__()

Initialize self. See help(type(self)) for accurate signature.

__iter__()
reset()
collectionChanged()
hasChanged()
changesSaved()
addPair(bp, name='', csize=0, minlink=0, maxlink=0, cfile=0, bondToH=False, selected=False)

Adds a bond pair to the list of bond pairs, and also creates a more or less empty data line for that data. Data in array: [Attachment name, collection size, min linkers, max linkers, collection file, table row]

bondPair(a1, a2)
switchPair(bp, newbp=False)
changePair(oldbp, newbp)
deletePair(bp)
setData(bp, name, csize, minlink, maxlink, cfile, row, bondToH, selected)
setConnectionName(bp, cname)
setConnectionSize(bp, csize)
setConnectionFile(bp, cfile)
setRow(bp, row)
setSelected(bp, selected)
getConnectionName(bp)
getConnectionSize(bp)
getConnectionFile(bp)
getRow(bp)
bondToH(bp)
getSelected(bp)
clearSelected()
size()
getPairFromRow(num)
getBondColorList()
containsMultipleCores()
getConnectionColor(i)

Return the appropriate connection color for the i-th connection

Parameters:i (int) – The connection number to get the color for
Returns:The appropriate color, formatted as a list of three integers between 0 and 255
Return type:list
setIgnorePair(bp)
removeIgnorePair()
getBondList()
getBondListWithIgnored()
getAtomList()
getCompleteBondList()
getAtomColorList()
__class__

alias of sip.wrappertype

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.application.combiglide.connection_storage', '__doc__': '\n This class is used to store the data of the current connection table.\n ', '__init__': <function ConnectionStorage.__init__>, '__iter__': <function ConnectionStorage.__iter__>, 'reset': <function ConnectionStorage.reset>, 'collectionChanged': <function ConnectionStorage.collectionChanged>, 'hasChanged': <function ConnectionStorage.hasChanged>, 'changesSaved': <function ConnectionStorage.changesSaved>, 'addPair': <function ConnectionStorage.addPair>, 'bondPair': <function ConnectionStorage.bondPair>, 'switchPair': <function ConnectionStorage.switchPair>, 'changePair': <function ConnectionStorage.changePair>, 'deletePair': <function ConnectionStorage.deletePair>, 'setData': <function ConnectionStorage.setData>, 'setConnectionName': <function ConnectionStorage.setConnectionName>, 'setConnectionSize': <function ConnectionStorage.setConnectionSize>, 'setConnectionMinLink': <function ConnectionStorage.setConnectionMinLink>, 'setConnectionMaxLink': <function ConnectionStorage.setConnectionMaxLink>, 'setConnectionFile': <function ConnectionStorage.setConnectionFile>, 'setRow': <function ConnectionStorage.setRow>, 'setSelected': <function ConnectionStorage.setSelected>, 'getConnectionName': <function ConnectionStorage.getConnectionName>, 'getConnectionSize': <function ConnectionStorage.getConnectionSize>, 'getConnectionMinLink': <function ConnectionStorage.getConnectionMinLink>, 'getConnectionMaxLink': <function ConnectionStorage.getConnectionMaxLink>, 'getConnectionFile': <function ConnectionStorage.getConnectionFile>, 'getRow': <function ConnectionStorage.getRow>, 'bondToH': <function ConnectionStorage.bondToH>, 'getSelected': <function ConnectionStorage.getSelected>, 'clearSelected': <function ConnectionStorage.clearSelected>, 'size': <function ConnectionStorage.size>, 'getPairFromRow': <function ConnectionStorage.getPairFromRow>, 'getBondColorList': <function ConnectionStorage.getBondColorList>, 'containsMultipleCores': <function ConnectionStorage.containsMultipleCores>, 'getConnectionColor': <function ConnectionStorage.getConnectionColor>, 'setIgnorePair': <function ConnectionStorage.setIgnorePair>, 'removeIgnorePair': <function ConnectionStorage.removeIgnorePair>, 'getBondList': <function ConnectionStorage.getBondList>, 'getBondListWithIgnored': <function ConnectionStorage.getBondListWithIgnored>, 'getAtomList': <function ConnectionStorage.getAtomList>, 'getCompleteBondList': <function ConnectionStorage.getCompleteBondList>, 'getAtomColorList': <function ConnectionStorage.getAtomColorList>})
__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.combiglide.connection_storage'
__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
connectNotify(self, QMetaMethod)
customEvent(self, QEvent)
deleteLater(self)
destroyed

destroyed(self, QObject = None) [signal]

disconnect(self)
disconnectNotify(self, QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → object
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]

inherits(self, str) → bool
installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, int)
metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

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
setObjectName(self, str)
setParent(self, QObject)
setProperty(self, str, Any) → bool
signalsBlocked(self) → bool
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