schrodinger.application.combiglide.connection_storage module

schrodinger.application.combiglide.connection_storage.get_connection_color(i)[source]

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)[source]

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)[source]

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)[source]

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()[source]

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()[source]

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

class schrodinger.application.combiglide.connection_storage.ConnectionStorage[source]

Bases: PyQt5.QtCore.QObject

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

__init__()[source]

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

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

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

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)[source]
removeIgnorePair()[source]
getBondList()[source]
getBondListWithIgnored()[source]
getAtomList()[source]
getCompleteBondList()[source]
getAtomColorList()[source]
blockSignals(self, bool) → bool
childEvent(self, QChildEvent)
children(self) → List[QObject]
connectNotify(self, QMetaMethod)
customEvent(self, QEvent)
deleteLater(self)
destroyed

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

disconnect(self)
disconnectNotify(self, QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
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