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4 changes: 2 additions & 2 deletions .github/labeler.yml
Original file line number Diff line number Diff line change
Expand Up @@ -20,9 +20,9 @@ pre-commit:
- .pre-commit-config.yaml
- .pre-commit-hooks.yaml
python:
- all: ["./spectrafit/**/*.py", "!./spectrafit/**/test_*.py"]
- any: ["./spectrafit/**/*.py", "!./spectrafit/**/test_*.py"]
testing:
- all: ["./spectrafit/**/test_*.py"]
- "./spectrafit/**/test_*.py"
docker:
- Dockerfile
- .dockerignore
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307 changes: 153 additions & 154 deletions poetry.lock

Large diffs are not rendered by default.

4 changes: 2 additions & 2 deletions pyproject.toml
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
[tool.poetry]
name = "SpectraFit"
version = "1.0.0b2"
version = "0.16.6"
description = "Fast fitting of 2D- and 3D-Spectra with established routines"
readme = "README.md"
authors = ["Anselm Hahn <[email protected]>"]
Expand Down Expand Up @@ -101,7 +101,7 @@ exclude = ["docs/", "tools/"]
mkdocs-minify-plugin = "^0.6.2"
mkdocs-material = "^9.1.2"
jupytext = "^1.14.5"
mkdocs-jupyter = "^0.23.1"
mkdocs-jupyter = "^0.24.0"

[build-system]
requires = ["poetry-core>=1.0.0"]
Expand Down
2 changes: 1 addition & 1 deletion spectrafit/__init__.py
Original file line number Diff line number Diff line change
@@ -1,2 +1,2 @@
"""SpectraFit, fast command line tool for fitting data."""
__version__ = "1.0.0b2"
__version__ = "0.16.6"
2 changes: 1 addition & 1 deletion spectrafit/api/report_model.py
Original file line number Diff line number Diff line change
Expand Up @@ -47,7 +47,7 @@ class FitMethodAPI(BaseModel):
default=False,
description="Fitting in the global fashion",
)
confidence_interval: Dict[str, Any] = Field(
confidence_interval: Union[bool, Dict[str, Any]] = Field(
...,
description="Settings for the confidence interval calculation",
)
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14 changes: 11 additions & 3 deletions spectrafit/plugins/notebook.py
Original file line number Diff line number Diff line change
Expand Up @@ -569,21 +569,29 @@ def get_linear_correlation(self) -> Dict[str, Any]:
return self.args_out["linear_correlation"]

@property
def settings_conf_interval(self) -> Dict[str, Any]:
def settings_conf_interval(self) -> Union[bool, Dict[str, Any]]:
"""Confidence interval settings.

Returns:
Dict[str, Any]: Confidence interval settings.
Union[bool, Dict[str, Any]]: Confidence interval settings.
"""
if isinstance(self.args_out["conf_interval"], dict):
self.args_out["conf_interval"] = {
key: value if value is not None else {}
for key, value in self.args_out["conf_interval"].items()
}
return self.args_out["conf_interval"]

@property
def get_confidence_interval(self) -> Dict[Any, Any]:
"""Get the confidence interval.

Returns:
Dict[Any, Any]: Confidence interval as dictionary.
Dict[Any, Any]: Confidence interval as dictionary with or without the
confidence interval results.
"""
if self.args_out["conf_interval"] is False:
return {}
return self.args_out["confidence_interval"]

@property
Expand Down
37 changes: 37 additions & 0 deletions spectrafit/plugins/test/test_notebook.py
Original file line number Diff line number Diff line change
Expand Up @@ -571,6 +571,26 @@ def test_conv_2(

mock_show.assert_called_once()

def test_conv_no(
self,
class_spectrafit_fit: SpectraFitNotebook,
initial_model: List[Dict[str, Dict[str, Dict[str, Any]]]],
) -> None:
"""Test conf interval via bool for false."""
sp = class_spectrafit_fit

with mock.patch(__plotly_io_show__) as mock_show:
sp.solver_model(
initial_model=initial_model,
show_plot=False,
show_df=True,
show_metric=True,
show_peaks=True,
conf_interval=False,
)

mock_show.assert_called_once()

def test_display_current_df(
self,
class_spectrafit_fit: SpectraFitNotebook,
Expand All @@ -583,3 +603,20 @@ def test_display_current_df(
sp.display_original_df()
sp.display_preprocessed_df()
sp.display_fit_df()

def test_confidence_interval_false_expot(
self,
class_spectrafit_fit: SpectraFitNotebook,
initial_model: List[Dict[str, Dict[str, Dict[str, Any]]]],
) -> None:
"""Test the confidence interval function."""
sp = class_spectrafit_fit
sp.solver_model(
initial_model=initial_model,
show_plot=False,
show_df=False,
show_metric=False,
show_peaks=False,
conf_interval=False,
)
sp.generate_report