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: PyQt6.QtCore.QObject

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

__init__()
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()
blockSignals(self, b: bool) → bool
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
customEvent(self, a0: QEvent)
deleteLater(self)
destroyed

destroyed(self, object: typing.Optional[QObject] = None) [signal]

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
metaObject(self) → QMetaObject
moveToThread(self, thread: QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

parent(self) → QObject
property(self, name: 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, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
signalsBlocked(self) → bool
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str