diff --git a/physiofit/base/io.py b/physiofit/base/io.py index dec385c..562d6bd 100644 --- a/physiofit/base/io.py +++ b/physiofit/base/io.py @@ -202,6 +202,19 @@ def get_models(self, data=None): else: self.models.append(model_class(self.data)) + def get_local_model_folder(self) -> str: + """ + Return the path towards the actual environment's used models folder + """ + + model_dir = Path(__file__).parent / "models" + return str(model_dir) + + # TODO: Implement this function to add model to model folder and add button to GUI + @staticmethod + def add_model(model_file): + pass + @staticmethod def read_yaml(yaml_file: str | bytes) -> ConfigParser: @@ -227,7 +240,7 @@ def read_yaml(yaml_file: str | bytes) -> ConfigParser: ) return config_parser - def initialize_fitter(self, data, **kwargs): + def initialize_fitter(self, data: pd.DataFrame, **kwargs) -> PhysioFitter: """ Initialize a PhysioFitter object @@ -266,7 +279,7 @@ def initialize_fitter(self, data, **kwargs): return fitter - def output_pdf(self, fitter, export_path: str | Path = None): + def output_pdf(self, fitter: PhysioFitter, export_path: str | Path = None): """ Handle the creation and output of a pdf file containing fit results as a plot diff --git a/physiofit/ui/cli.py b/physiofit/ui/cli.py index 889aa86..449b51f 100644 --- a/physiofit/ui/cli.py +++ b/physiofit/ui/cli.py @@ -1,5 +1,14 @@ """ Module containing the Command-Line Interface control logic. + +The Command-Line Interface has two goals: + + i) Have a local CLI that can be used to launch jobs in a concise and quick manner, without use of the Graphical + User Interface. This can help when testing many different parameter sets, and also permits easy pipelining of the + tool, as described below. + ii) Have a version compatible with an integration onto the Galaxy W4M platform to be used in automated flux + calculation workflows + """ import argparse import logging diff --git a/physiofit/ui/gui.py b/physiofit/ui/gui.py index 3036b94..a0c3a20 100644 --- a/physiofit/ui/gui.py +++ b/physiofit/ui/gui.py @@ -163,7 +163,7 @@ def _initialize_opt_menu(self): self.io.res_path = results_path / experiment if not self.io.res_path.is_dir(): - self.io.res_path.mkdir() + self.io.res_path.mkdir(parents=True) # Initialize the fitter object self.io.names = self.io.data.columns[1:].to_list() kwargs = self._build_fitter_kwargs() @@ -220,17 +220,21 @@ def _initialize_opt_menu_widgets(self, file_extension): model_options = [ model.model_name for model in self.io.models ] - model_options.insert(0, "--") + if self.config_parser.model: + idx = model_options.index(self.config_parser.model["model_name"]) + else: + idx = None model_name = st.selectbox( label="Model", options=model_options, key="model_selector", - help="Select the flux calculation model" + help="Select the flux calculation model", + index=idx ) #if model_name == "Dynamic system (only substrates)": # st.error("Not yet implemented...") - if model_name != "--": + if model_name: # Initialize selected model self.model = self.io.select_model(model_name) try: diff --git a/poetry.lock b/poetry.lock index 3a00b4b..757ee73 100644 --- a/poetry.lock +++ b/poetry.lock @@ -157,13 +157,13 @@ lxml = ["lxml"] [[package]] name = "bleach" -version = "6.0.0" +version = "6.1.0" description = "An easy safelist-based HTML-sanitizing tool." optional = false -python-versions = ">=3.7" +python-versions = ">=3.8" files = [ - {file = "bleach-6.0.0-py3-none-any.whl", hash = "sha256:33c16e3353dbd13028ab4799a0f89a83f113405c766e9c122df8a06f5b85b3f4"}, - {file = "bleach-6.0.0.tar.gz", hash = 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