schrodinger.ui.qt.appframework2.markers module¶
-
class
schrodinger.ui.qt.appframework2.markers.
MarkerMixin
(*args, **kwargs)¶ Bases:
object
A mixin for adding markers and controlling their visibility. Note that this Mixin requires the
maestro_callback.MaestroCallbackMixin
.Variables: - _markers (dict) – A dictionary containing all
markers._BaseMarker
derived markers associated with this panel. Keys are generated via_canonicalizeAtomOrder
and_genMarkerHash
. - _marked_eid_lengths (dict) – A dictionary of {entry id: number of atoms in the entry}. This dictionary is used to delete markers if the number of atoms in a marked entry changes.
- MARKER_ICONS (
schrodinger.maestro.markers.Icons
) – An object containing constants for all available marker icons - _multi_atom_markers (list) – A list containing all
markers.Marker
markers associated with this panel.
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__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
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showEvent
(event)¶ Re-show all panel markers when the panel is re-shown.
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show
()¶ Re-show all panel markers when the panel is re-shown. This separate method is needed for QDialog instances.
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hideEvent
(event)¶
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closeEvent
(event)¶ Hide all markers when the panel is closed.
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addJaguarMarker
(atoms, color=None, icon=None, text='', alt_color=None, highlight=False)¶ Add a marker to the specified atom(s)
Parameters: - atoms (list or
schrodinger.structure._StructureAtom
) – The atom or list of atoms to mark. A list may contain between one and four atoms (inclusive). - color (tuple, str, int, or
schrodinger.structutils.color
) – The color of the marker and icon. May be an RGB tuple, color name, color index, orschrodinger.structutils.color
instance. If not given, white will be used. - icon (int) – The icon to draw next to the marker. Should be one the self.MARKER_ICONS constants. If not given, no icon will be drawn.
- text (str) – The text to display next to the marker. If not given, no text will be displayed. Note that this argument will be ignored when marking a single atom.
- alt_color (tuple, str, int, or
schrodinger.structutils.color
) – The alternate marker color. This color is always used for text, and is used for the marker and icon whenhighlight
is True. If not given,color
will be used. - highlight (bool) – Whether the marker should be highlighted. A
highlighted marker is indicated with thicker lines and is colored using
alt_color
instead ofcolor
.
Returns: The newly created marker
Return type: schrodinger.maestro.markers._BaseMarker
Raises: ValueError – If a marker already exists for the specified atoms
Note: Either an icon or text may be displayed on a marker, but not both. If both are given, only the text will be shown.
- atoms (list or
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addMarker
(atoms, color=(1.0, 1.0, 1.0), group_name=None)¶ Generates a set of simple, dot-styled markers for a group of atoms.
Parameters: - atoms (list or
schrodinger.structure._StructureAtom
) – List of atoms to be marked - color (tuple of 3 floats) – The amount of red, green and blue to use, each ranging from 0.0 to 1.0. Default is white (1., 1., 1.).
@group_name: Optional string to set as the name of this group of markers in Maestro. If not set, a unique identifier will be generated.
- atoms (list or
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addMarkerFromAsl
(asl, color=(1.0, 1.0, 1.0), group_name=None)¶ Generates a set of simple, dot-styled markers for group of Workspace atoms that match the given ASL. Same atoms continue to be marked even if the Workspace is later modified such that ASL matching changes.
Parameters: - asl – ASL for the atoms to mark.
- color (tuple of 3 floats) – The amount of red, green and blue to use, each ranging from 0.0 to 1.0. Default is white (1., 1., 1.).
@group_name: Optional string to set as the name of this group of markers in Maestro. If not set, a unique identifier will be generated.
Returns: Marker object Return type: markers.Marker
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getJaguarMarker
(atoms)¶ Retrieve a marker for the specified atom(s)
Parameters: atoms (list or schrodinger.structure._StructureAtom
) – The atom or list of atoms to retrieve the marker for. A list may contain between one and four atoms (inclusive).Returns: The requested marker Return type: schrodinger.maestro.markers._BaseMarker
Raises: ValueError – If no marker exists for the specified atoms Note: As indicated by the return type, this function only returns schrodinger.maestro.markers._BaseMarker
derived markers. Multi atomschrodinger.maestro.markers.Marker
type markers are not accessible in this way.
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removeJaguarMarker
(marker)¶ Removes the specified marker
Parameters: marker ( schrodinger.maestro.markers._BaseMarker
) – The marker to removeRaises: ValueError – If there is no marker on the specified atoms
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removeJaguarMarkerForAtoms
(atoms)¶ Removes the marker for specified atom(s)
Parameters: atoms (list or schrodinger.structure._StructureAtom
) – The atom or list of atoms to retrieve the marker for. A list may contain between one and four atoms (inclusive).Raises: ValueError – If no marker exists for the specified atoms
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removeMarker
(marker)¶ Remove the
schrodinger.maestro.markers.Marker
Parameters: marker ( schrodinger.maestro.markers.Marker
) – Marker to removeRaises: ValueError – If marker is the wrong type or is not associated with the panel.
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showAllJaguarMarkers
()¶ Show all
schrodinger.maestro.markers._BaseMarker
markers for which all marked atoms are in the workspace. Hide all other markers.
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showAllMarkers
()¶ Set all
schrodinger.maestro.markers.Marker
markers to be shown if the relevant atoms are in the workspace. These markers are hidden automatically by Maestro when atoms are excluded.
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hideAllJaguarMarkers
()¶ Hide all
schrodinger.maestro.markers._BaseMarker
markers for this panel
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hideAllMarkers
()¶ Hide all
schrodinger.maestro.markers.Marker
markers for this panel.
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removeAllJaguarMarkers
()¶ Remove all markers
schrodinger.maestro.markers._BaseMarker
markers from this panel
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removeAllJaguarMarkersForEntry
(eid)¶ Remove all markers for the specified entry id from this panel
Parameters: eid (str) – The entry id to remove markers for
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removeAllMarkers
()¶ Remove all
schrodinger.maestro.markers.Marker
markers from this panel.
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getAllJaguarMarkers
()¶ Get all markers._BaseMarker currently loaded into the panel
Returns: An iterator of markers._BaseMarker Return type: iterator
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getAllMarkers
()¶ Get all markers.Marker loaded into the panel
Returns: list(markers.Marker) Return type: list
- _markers (dict) – A dictionary containing all