Class for adding pharmacophore feature markers and controlling their
visibility.
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editingFinished(...)
signal that gets emitted when feature editing is finished. |
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__init__(self,
*args,
**kwargs)
x.__init__(...) initializes x; see help(type(x)) for signature |
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_workspaceDrawCallback(self)
Called by Maestro when Workspace needs to be drawn. |
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bool
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featureExists(self,
entry_id)
This function checks whether pharmacophore features exist for a
structure with a given entry_id and returns True or False. |
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list
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addStructureFeatures(self,
st,
fds,
entry_id,
allow_picking=True)
Add all pharmacophore feature markers for a given structure. |
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addSites(self,
sites,
entry_id,
use_highlight=False,
allow_picking=True)
Add pharmacophore features for given sites. |
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addFeature(self,
sites,
feature_name,
feature_index,
color,
use_highlight,
entry_id,
allow_picking=True)
Add pharmacophore feature marker. |
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tuple
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getFeature(self,
feature_name,
entry_id)
Retrieve markers for the specified feature. |
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list
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list
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getSites(self,
entry_id)
Get list of sites for all features with a given entry id. |
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list
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getFeatureNames(self,
entry_id)
Get list of feature names that were found for the structure with a
given entry id. |
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list of ints
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addFeaturesForWorkspaceLigands(self,
fds,
allow_picking=True)
Add feature markers for each included ligand PT entry, according to
the given feature definitions. |
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_updateFeatures(self)
Show or hide features for entries that are included or excluded in
the workspace. |
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removeFeature(self,
feature_name,
entry_id)
Removes markers for the specified pharmacophore feature. |
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removeAllFeatures(self)
Removes markers for all pharmacophore features. |
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showFeature(self,
feature_name,
entry_id)
Show markers for the specified pharmacophore feature. |
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showAllFeatures(self)
Shows markers for all pharmacophore features. |
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hideFeature(self,
feature_name,
entry_id)
Hide markers for the specified pharmacophore feature. |
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hideAllFeatures(self)
Hide markers for all pharmacophore features. |
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hasXvolMarkers(self,
entry_id)
Checks whether excluded volume markers for a given entry ID exist. |
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removeXvolMarkers(self,
entry_id)
Removes all excluded volume markers for a given entry. |
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removeXvolMarkersWithIDs(self,
entry_id,
sphere_indices)
Removes excluded volume markers with specified sphere ids for a given
entry. |
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removeAllXvolMarkers(self)
Removes all excluded volume markers. |
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addXvolMarkers(self,
entry_id,
x_vol,
interactive=False)
Adds excluded volume markers for a given entry ID. |
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int
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findXvolSphereIndex(self,
entry_id,
pick_id)
Finds excluded volume sphere index for a given sphere pick id. |
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setXvolSelected(self,
entry_id,
sphere_indices)
Selects spheres with given sphere ids for a given entry id. |
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updateXvolMarker(self,
entry_id,
sphere_index,
r,
x,
y,
z)
This function is called to change radius and coordinates of excluded
volume with a given sphere id and entry id. |
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hasTolMarkers(self,
entry_id)
Checks whether tolerance markers for a given entry ID exist. |
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removeTolMarkers(self,
entry_id)
Removes all tolerance markers for a given entry. |
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removeAllTolMarkers(self)
Removes all tolerance markers. |
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addTolMarkers(self,
entry_id,
hypo)
Adds tolerance markers for a given entry ID. |
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hasRefCtMarker(self,
entry_id)
Checks whether refernce ligand marker for a given entry ID exists. |
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removeRefCtMarker(self,
entry_id)
Removes all reference ligand markers for a given entry. |
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removeAllRefCtMarkers(self)
Removes all reference ligand markers. |
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addRefCtMarker(self,
entry_id,
ref_ct)
Adds reference ligand markers for a given entry ID. |
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setSelection(self,
features,
entry_id,
selected)
Sets selection mode for multiple features. |
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setFeatureSelection(self,
feature_name,
entry_id,
selected)
Set specified pharmacophore feature selection mode. |
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clearSelection(self)
Clear 'selection' for all pharmacophore features. |
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_genFeatureKey(self,
feature_name,
entry_id)
Create a unique feature key. |
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list
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_getKeysForEntry(self,
entry_id)
Get a list of all feature keys for a given entry id. |
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set
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_getEntryIDs(self)
Get a list of unique entry ids that feature markers stored in this
mixin are associated with. |
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genFeatureName(self,
feature_type,
feature_num)
Generate feature name that starts with the one letter feature type
and followed by the feature number. |
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Inherited from Qt.QtCore.QObject :
connect ,
emit
Inherited from PyQt4.QtCore.QObject :
__getattr__ ,
blockSignals ,
childEvent ,
children ,
connectNotify ,
customEvent ,
deleteLater ,
destroyed ,
disconnect ,
disconnectNotify ,
dumpObjectInfo ,
dumpObjectTree ,
dynamicPropertyNames ,
event ,
eventFilter ,
findChild ,
findChildren ,
inherits ,
installEventFilter ,
isWidgetType ,
killTimer ,
metaObject ,
moveToThread ,
objectName ,
parent ,
property ,
pyqtConfigure ,
receivers ,
removeEventFilter ,
sender ,
senderSignalIndex ,
setObjectName ,
setParent ,
setProperty ,
signalsBlocked ,
startTimer ,
thread ,
timerEvent ,
tr ,
trUtf8
Inherited from sip.simplewrapper :
__new__
Inherited from object :
__delattr__ ,
__format__ ,
__getattribute__ ,
__hash__ ,
__reduce__ ,
__reduce_ex__ ,
__repr__ ,
__setattr__ ,
__sizeof__ ,
__str__ ,
__subclasshook__
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