Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Revert "modifications to the EditStructureData Widgets (#956)" #957

Closed
wants to merge 1 commit into from
Closed

Revert "modifications to the EditStructureData Widgets (#956)" #957

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
40 changes: 5 additions & 35 deletions src/aiidalab_qe/common/widgets.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -440,11 +440,7 @@ def __init__(self, title="", **kwargs):

self._status_message = StatusHTML()
self.atom_selection = ipw.Text(
placeholder="e.g. 1..5 8 10",
description="Index of atoms",
value="",
style={"description_width": "100px"},
layout={"width": "initial"},
description="Index of atoms", value="", layout={"width": "initial"}
)
self.from_selection = ipw.Button(description="From selection")
self.from_selection.on_click(self._from_selection)
Expand Down Expand Up @@ -482,10 +478,6 @@ def __init__(self, title="", **kwargs):
button_style="primary",
layout={"width": "100px"},
)
self.scroll_note = ipw.HTML(
value="<p style='font-style: italic;'>Note: The table is scrollable.</p>",
layout={"visibility": "hidden"},
)
self.tag_display = ipw.Output()
self.add_tags.on_click(self._add_tags)
self.reset_tags.on_click(self._reset_tags)
Expand All @@ -499,22 +491,7 @@ def __init__(self, title="", **kwargs):
super().__init__(
children=[
ipw.HTML(
"<b>Set custom tags for atoms</b>",
),
ipw.HTML(
"""
<p>
These are used to distinguish atoms of the same chemical element. <br>
For example, they can be used to assign different initial magnetization values for antiferromagnetic systems.
</p>
<p style="font-weight: bold; color: #1f77b4;">NOTE:</p>
<ul style="padding-left: 2em; list-style-type: disc;">
<li>Atom indices start from 1, not 0. This means that the first atom in the list is numbered 1, the second atom is numbered 2, and so on.</li>
</ul>

Note:
</p>
"""
"<b>Adding a tag to atoms</b>",
),
ipw.HBox(
[
Expand All @@ -524,11 +501,10 @@ def __init__(self, title="", **kwargs):
]
),
self.tag_display,
self.scroll_note,
ipw.HBox([self.add_tags, self.reset_tags, self.reset_all_tags]),
self._status_message,
ipw.HTML(
'<div style="margin-top: 20px;"><b>Set structure periodicity</b></div>'
"<b>Define periodicity</b>",
),
ipw.HTML("""
<p>Select the periodicity of your system.</p>
Expand All @@ -554,18 +530,14 @@ def _display_table(self, _=None):
current_tags = self.structure.get_tags()
chemichal_symbols = self.structure.get_chemical_symbols()

if (
selection
and (min(selection) >= 0)
and (max(selection) <= (len(self.structure) - 1))
):
if selection and (max(selection) <= (len(self.structure) - 1)):
table_data = []
for index in selection:
tag = current_tags[index]
symbol = chemichal_symbols[index]
if tag == 0:
tag = ""
table_data.append([f"{index+ 1}", f"{symbol}", f"{tag}"])
table_data.append([f"{index}", f"{symbol}", f"{tag}"])

# Create an HTML table
table_html = "<table>"
Expand All @@ -586,12 +558,10 @@ def _display_table(self, _=None):
with self.tag_display:
clear_output()
display(HTML(table_html))
self.scroll_note.layout = {"visibility": "visible"}
else:
self.tag_display.layout = {}
with self.tag_display:
clear_output()
self.scroll_note.layout = {"visibility": "hidden"}

def _from_selection(self, _=None):
"""Set the atom selection from the current selection."""
Expand Down
Loading