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build(deps): ⬆️ Bump lmfit from 1.0.3 to 1.1.0 #506

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Merged
merged 1 commit into from
Nov 30, 2022
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build(deps): ⬆️ Bump lmfit from 1.0.3 to 1.1.0 #506

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97 changes: 52 additions & 45 deletions poetry.lock
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2 changes: 1 addition & 1 deletion pyproject.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -42,7 +42,7 @@ exclude = ["docs/", "tools/"]

[tool.poetry.dependencies]
python = ">=3.7.2,<3.11"
lmfit = "^1.0.3"
lmfit = "^1.1.0"
pandas = [
{ version = "1.3.5", python = "<3.8" },
{ version = "^1.5.0", python = ">=3.8" },
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6 changes: 2 additions & 4 deletions spectrafit/report.py
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Expand Up @@ -234,14 +234,12 @@ def fit_report_as_dict(
and abs(par.correl[name_2]) <= 1.0
):
buffer["correlations"][name_1][name_2] = par.correl[name_2]
try:

if result.covar is not None and result.covar.shape[0] == len(parnames):
for i, name_1 in enumerate(parnames):
buffer["covariance_matrix"][name_1] = {
name_2: result.covar[i, j] for j, name_2 in enumerate(parnames)
}

except (AttributeError, IndexError) as exc:
print(f"{exc}: Covariance Matrix could not be calculated.\n")
return buffer


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2 changes: 1 addition & 1 deletion spectrafit/tools.py
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Expand Up @@ -290,7 +290,7 @@ def make_insight_report(self) -> None:
self.args["confidence_interval"] = conf_interval(
self.minimizer, self.result, **self.args["conf_interval"]
)
except MinimizerException as exc:
except (MinimizerException, ValueError) as exc:
print(f"Error: {exc} -> No confidence interval could be calculated!")
self.args["confidence_interval"] = {}

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