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Store non-scalar results as JSON in tables and the database.
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@paulsaxe
paulsaxe committed Jul 10, 2023
1 parent 6a55b2d commit 4c7002a
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Showing 3 changed files with 85 additions and 37 deletions.
4 changes: 3 additions & 1 deletion HISTORY.rst
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@@ -1,7 +1,9 @@
=======
History
=======
2023.7.9 -- Bugfix: errors creating dashboards and projects
2023.7.10 -- Adding JSON for properties in the database and tabels; bugfixes
* Handle non-scalar results using JSON so they can be output to tables
and added to the properties in the database.
* Fixed error submitting jobs to Dashboard the user doesn't have a login for.
* Ask for credentials when adding a new dashboard to job dialog.
* Fixed bug creating a new project.
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80 changes: 65 additions & 15 deletions seamm/node.py
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Original file line number Diff line number Diff line change
Expand Up @@ -36,6 +36,17 @@
job = printing.getPrinter()


def scale(data, factor):
"""Recursive helper to scale e.g. nested lists by a factor."""
result = []
for value in data:
if isinstance(value, list):
result.append(scale(value, factor))
else:
result.append(value * factor)
return result


class Node(collections.abc.Hashable):
"""The base class for nodes (steps) in flowcharts.
Expand Down Expand Up @@ -1018,12 +1029,30 @@ def store_results(
if "units" in result_metadata:
current_units = result_metadata["units"]
if units != current_units:
tmp = Q_(data[key], current_units)
properties.put(_property, tmp.m_as(units))
if result_metadata["dimensionality"] == "scalar":
tmp = Q_(data[key], current_units)
properties.put(_property, tmp.m_as(units))
else:
factor = Q_(1, current_units).m_as(units)
tmp = scale(data[key], factor)
properties.put(
_property, json.dumps(tmp, separators=(",", ":"))
)
else:
properties.put(_property, data[key])
if result_metadata["dimensionality"] == "scalar":
properties.put(_property, data[key])
else:
properties.put(
_property,
json.dumps(data[key], separators=(",", ":")),
)
else:
properties.put(_property, data[key])
if result_metadata["dimensionality"] == "scalar":
properties.put(_property, data[key])
else:
properties.put(
_property, json.dumps(data[key], separators=(",", ":"))
)

# Store in a variable
if "variable" in value:
Expand Down Expand Up @@ -1077,14 +1106,18 @@ def store_results(

# create the column as needed
if column not in table.columns:
kind = result_metadata["type"]
if kind == "boolean":
default = False
elif kind == "integer":
default = 0
elif kind == "float":
default = np.nan
if result_metadata["dimensionality"] == "scalar":
kind = result_metadata["type"]
if kind == "boolean":
default = False
elif kind == "integer":
default = 0
elif kind == "float":
default = np.nan
else:
default = ""
else:
kind = "json"
default = ""

table_handle["defaults"][column] = default
Expand All @@ -1097,14 +1130,31 @@ def store_results(
if "units" in result_metadata:
current_units = result_metadata["units"]
if units != current_units:
tmp = Q_(data[key], current_units)
table.at[row_index, column] = tmp.m_as(units)
if result_metadata["dimensionality"] == "scalar":
tmp = Q_(data[key], current_units)
table.at[row_index, column] = tmp.m_as(units)
else:
factor = Q_(1, current_units).m_as(units)
tmp = scale(data[key], factor)
table.at[row_index, column] = json.dumps(
tmp, separators=(",", ":")
)
else:
table.at[row_index, column] = data[key]
if result_metadata["dimensionality"] == "scalar":
table.at[row_index, column] = data[key]
else:
table.at[row_index, column] = json.dumps(
data[key], separators=(",", ":")
)
else:
raise RuntimeError("Problem with units handling results!")
else:
table.at[row_index, column] = data[key]
if result_metadata["dimensionality"] == "scalar":
table.at[row_index, column] = data[key]
else:
table.at[row_index, column] = json.dumps(
data[key], separators=(",", ":")
)

def create_figure(self, title="", template="line.graph_template", module_path=None):
"""Create a new figure.
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38 changes: 17 additions & 21 deletions seamm/tk_node.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1034,27 +1034,23 @@ def setup_results(self):
e.delete(0, tk.END)
e.insert(0, results[key]["variable"])

if entry["dimensionality"] == "scalar":
# table
w = ttk.Combobox(frame, width=10, values=["", *self._tables])
table.cell(row, 4, w)
widgets.append(w)
w.bind("<<ComboboxSelected>>", self._table_cb)
w.bind("<Return>", self._table_cb)
w.bind("<FocusOut>", self._table_cb)
e = ttk.Entry(frame, width=15)
e.insert(0, key.lower().replace("_", " "))
table.cell(row, 5, e)
widgets.append(e)

if key in results:
if "table" in results[key]:
w.set(results[key]["table"])
e.delete(0, tk.END)
e.insert(0, results[key]["column"])
else:
widgets.append(None)
widgets.append(None)
# table
w = ttk.Combobox(frame, width=10, values=["", *self._tables])
table.cell(row, 4, w)
widgets.append(w)
w.bind("<<ComboboxSelected>>", self._table_cb)
w.bind("<Return>", self._table_cb)
w.bind("<FocusOut>", self._table_cb)
e = ttk.Entry(frame, width=15)
e.insert(0, key.lower().replace("_", " "))
table.cell(row, 5, e)
widgets.append(e)

if key in results:
if "table" in results[key]:
w.set(results[key]["table"])
e.delete(0, tk.END)
e.insert(0, results[key]["column"])

# And units....
if "units" in entry and entry["units"] != "":
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