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Remove pandas dependency #674

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Remove pandas dependency #674

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3010ffe
Remove the use of pandas library.
yakutovicha Feb 5, 2025
2eafaf9
Merge branch 'master' into update/remove-pandas-dependency
yakutovicha Feb 5, 2025
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57 changes: 30 additions & 27 deletions aiidalab_widgets_base/process.py
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Original file line number Diff line number Diff line change
Expand Up @@ -602,14 +602,6 @@ def __init__(self, path_to_root="../", **kwargs):

def update(self, _=None):
"""Perform the query."""
import pandas as pd

pd.set_option("max_colwidth", 40)
# Here we are defining properties of 'df' class (specified while exporting pandas table into html).
# Since the exported object is nothing more than HTML table, all 'standard' HTML table settings
# can be applied to it as well.
# For more information on how to controle the table appearance please visit:
# https://css-tricks.com/complete-guide-table-element/
self.table.value = """
<style>
.df { border: none; }
Expand All @@ -620,6 +612,7 @@ def update(self, _=None):
.df th { text-align: center; border: none; border-bottom: 1px solid black;}
</style>
"""

builder = CalculationQueryBuilder()
filters = builder.get_filters(
all_entries=False,
Expand All @@ -630,16 +623,9 @@ def update(self, _=None):
)
relationships = {}
if self.incoming_node:
relationships = {
**relationships,
**{"with_outgoing": orm.load_node(self.incoming_node)},
}

relationships["with_outgoing"] = orm.load_node(self.incoming_node)
if self.outgoing_node:
relationships = {
**relationships,
**{"with_incoming": orm.load_node(self.outgoing_node)},
}
relationships["with_incoming"] = orm.load_node(self.outgoing_node)

query_set = builder.get_query_set(
filters=filters,
Expand All @@ -658,19 +644,36 @@ def update(self, _=None):
"description",
],
)
dataf = pd.DataFrame(projected[1:], columns=projected[0])

# Keep only process that contain the requested string in the description.
if self.description_contains:
dataf = dataf[dataf.Description.str.contains(self.description_contains)]
if not projected:
self.output.value = "0 processes shown"
return

self.output.value = f"{len(dataf)} processes shown"
headers = projected[0]
rows = projected[1:]

# Add HTML links.
dataf["PK"] = dataf["PK"].apply(
lambda x: f"""<a href={self.path_to_root}aiidalab-widgets-base/notebooks/process.ipynb?id={x} target="_blank">{x}</a>"""
)
self.table.value += dataf.to_html(classes="df", escape=False, index=False)
# Filter rows by description if necessary
if self.description_contains:
rows = [row for row in rows if self.description_contains in row[5]]

self.output.value = f"{len(rows)} processes shown"

# Generate HTML table
table_html = "<table class='df'><thead><tr>"
table_html += "".join(f"<th>{header}</th>" for header in headers)
table_html += "</tr></thead><tbody>"

for row in rows:
row_html = "<tr>"
for i, cell in enumerate(row):
if i == 0: # PK column
cell_row = f"<a href={self.path_to_root}aiidalab-widgets-base/notebooks/process.ipynb?id={cell} target='_blank'>{cell}</a>"
row_html += f"<td>{cell_row}</td>"
row_html += "</tr>"
table_html += row_html

table_html += "</tbody></table>"
self.table.value += table_html

@tl.validate("incoming_node")
def _validate_incoming_node(self, provided):
Expand Down
44 changes: 22 additions & 22 deletions aiidalab_widgets_base/viewers.py
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Original file line number Diff line number Diff line change
Expand Up @@ -92,40 +92,40 @@ class DictViewer(ipw.VBox):
:type downloadable: bool"""

def __init__(self, parameter, downloadable=True, **kwargs):
import pandas as pd

# Here we are defining properties of 'df' class (specified while exporting pandas table into html).
# Since the exported object is nothing more than HTML table, all 'standard' HTML table settings
# can be applied to it as well.
# For more information on how to controle the table appearance please visit:
# https://css-tricks.com/complete-guide-table-element/
self.widget = ipw.HTML()
ipw.dlink((self, "value"), (self.widget, "value"))

self.value += """
self.value = """
<style>
.df { border: none; }
.df tbody tr:nth-child(odd) { background-color: #e5e7e9; }
.df tbody tr:nth-child(odd):hover { background-color: #f5b7b1; }
.df tbody tr:nth-child(even):hover { background-color: #f5b7b1; }
.df tbody tr:nth-child(odd):hover { background-color: #f5b7b1; }
.df tbody tr:nth-child(even):hover { background-color: #f5b7b1; }
.df tbody td { min-width: 300px; text-align: center; border: none }
.df th { text-align: center; border: none; border-bottom: 1px solid black;}
.df th { text-align: center; border: none; border-bottom: 1px solid black; }
</style>
"""

pd.set_option("max_colwidth", 40)
dataf = pd.DataFrame(
sorted(parameter.get_dict().items()),
columns=["Key", "Value"],
)
self.value += dataf.to_html(
classes="df", index=False
) # specify that exported table belongs to 'df' class
# this is used to setup table's appearance using CSS
# Extract and sort the parameter dictionary
data = sorted(parameter.get_dict().items())

# Generate HTML table
table_html = "<table class='df'>"
table_html += "<thead><tr><th>Key</th><th>Value</th></tr></thead><tbody>"
for key, value in data:
table_html += f"<tr><td>{key}</td><td>{value}</td></tr>"
table_html += "</tbody></table>"

self.value += table_html

# Generate CSV download link if requested
if downloadable:
payload = base64.b64encode(dataf.to_csv(index=False).encode()).decode()
csv_content = "Key,Value\n" + "\n".join(
f"{key},{value}" for key, value in data
)
payload = base64.b64encode(csv_content.encode()).decode()
fname = f"{parameter.pk}.csv"
self.value += f"""Download table in csv format: <a download="{fname}"
self.value += f"""Download table in CSV format: <a download="{fname}"
href="data:text/csv;base64,{payload}" target="_blank">{fname}</a>"""

super().__init__([self.widget], **kwargs)
Expand Down
1 change: 0 additions & 1 deletion setup.cfg
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Expand Up @@ -34,7 +34,6 @@ install_requires =
nglview~=3.0
spglib>=1.14,<3
vapory~=0.1.2
pandas~=2.1
python_requires = >=3.9
include_package_data = True
zip_safe = False
Expand Down
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