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Fix issue workchain viewer not designated for workchains except QeAppWorkchain #348

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merged 4 commits into from
Feb 20, 2023
Merged

Fix issue workchain viewer not designated for workchains except QeAppWorkchain #348

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fc22245
Use NodeViewer of AWB
unkcpz Feb 10, 2023
23593d3
Custum viewer for QeAppWorkChain
unkcpz Feb 10, 2023
9a6a8ff
hotfix: r-d
unkcpz Feb 17, 2023
295880d
r-d: _process_monitor to update the view
unkcpz Feb 20, 2023
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11 changes: 3 additions & 8 deletions aiidalab_qe/node_view.py
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Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@
from aiida.cmdline.utils.common import get_workchain_report
from aiida.common import LinkType
from aiida.orm import CalcJobNode, Node, ProjectionData, WorkChainNode
from aiidalab_widgets_base import ProcessMonitor, register_viewer_widget
from aiidalab_widgets_base import register_viewer_widget
from aiidalab_widgets_base.viewers import StructureDataViewer
from ase import Atoms
from filelock import FileLock, Timeout
Expand Down Expand Up @@ -507,7 +507,8 @@ class WorkChainViewer(ipw.VBox):

def __init__(self, node, **kwargs):
if node.process_label != "QeAppWorkChain":
raise KeyError(str(node.node_type))
super().__init__()
return

self.node = node

Expand Down Expand Up @@ -564,12 +565,6 @@ def toggle_camera():
children=[self.title, self.result_tabs],
**kwargs,
)
self._process_monitor = ProcessMonitor(
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process=self.node,
callbacks=[
self._update_view,
],
)

def _update_view(self):
with self.hold_trait_notifications():
Expand Down
9 changes: 3 additions & 6 deletions aiidalab_qe/steps.py
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Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,7 @@
from aiida_quantumespresso.common.types import ElectronicType, RelaxType, SpinType
from aiida_quantumespresso.workflows.pw.base import PwBaseWorkChain
from aiidalab_widgets_base import (
AiidaNodeViewWidget,
ComputationalResourcesWidget,
ProcessMonitor,
ProcessNodesTreeWidget,
Expand All @@ -27,11 +28,7 @@
from aiidalab_qe.pseudos import PseudoFamilySelector
from aiidalab_qe.setup_codes import QESetupWidget
from aiidalab_qe.sssp import SSSPInstallWidget
from aiidalab_qe.widgets import (
NodeViewWidget,
ParallelizationSettings,
ResourceSelectionWidget,
)
from aiidalab_qe.widgets import ParallelizationSettings, ResourceSelectionWidget
from aiidalab_qe_workchain import QeAppWorkChain

StructureData = DataFactory("core.structure")
Expand Down Expand Up @@ -914,7 +911,7 @@ def __init__(self, **kwargs):
(self.process_tree, "value"),
)

self.node_view = NodeViewWidget(layout={"width": "auto", "height": "auto"})
self.node_view = AiidaNodeViewWidget(layout={"width": "auto", "height": "auto"})
ipw.dlink(
(self.process_tree, "selected_nodes"),
(self.node_view, "node"),
Expand Down
24 changes: 3 additions & 21 deletions aiidalab_qe/widgets.py
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Original file line number Diff line number Diff line change
Expand Up @@ -14,17 +14,16 @@

import ipywidgets as ipw
import traitlets
from aiida.orm import CalcJobNode, Node, load_node
from aiidalab_widgets_base import register_viewer_widget, viewer
from IPython.display import HTML, Javascript, clear_output, display
from aiida.orm import CalcJobNode, load_node
from aiidalab_widgets_base import register_viewer_widget
from IPython.display import HTML, Javascript, display

# trigger registration of the viewer widget:
from aiidalab_qe import node_view # noqa: F401

__all__ = [
"CalcJobOutputFollower",
"LogOutputWidget",
"NodeViewWidget",
]


Expand Down Expand Up @@ -367,23 +366,6 @@ def _observe_output_follower_lineno(self, _):
self.log_output.value = "\n".join(self.output_follower.output)


class NodeViewWidget(ipw.VBox):

node = traitlets.Instance(Node, allow_none=True)

def __init__(self, **kwargs):
self._output = ipw.Output()
super().__init__(children=[self._output], **kwargs)

@traitlets.observe("node")
def _observe_node(self, change):
if change["new"] != change["old"]:
with self._output:
clear_output()
if change["new"]:
display(viewer(change["new"]))


class ResourceSelectionWidget(ipw.VBox):
"""Widget for the selection of compute resources."""

Expand Down
4 changes: 2 additions & 2 deletions qe.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -155,7 +155,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "Python 3 (ipykernel)",
"language": "python",
"name": "python3"
},
Expand All @@ -169,7 +169,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.9.4"
"version": "3.9.13"
},
"vscode": {
"interpreter": {
Expand Down