pyvale 2026.1.1__cp311-cp311-manylinux_2_17_i686.manylinux2014_i686.whl

pyvale/mooseherder/directorymanager.py

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+# ==============================================================================
+# pyvale: the python validation engine
+# License: MIT
+# Copyright (C) 2025 The Computer Aided Validation Team
+# ==============================================================================
+
+import os
+import shutil
+import json
+from pathlib import Path
+
+class DirectoryManager:
+    """Manages directories for running simulations in parallel with the
+    mooseherd.
+    """
+    __slots__ = ("_n_dirs","_sub_dir","_base_dir","_run_dirs","_output_paths",
+                 "_output_key_tag","_sweep_var_tag")
+
+    def __init__(self, n_dirs: int = 1) -> None:
+        """
+        Parameters
+        ----------
+        n_dirs : int, optional
+            Number of working directories to be created, by default 1.
+        """
+
+        self._n_dirs = n_dirs
+        self._sub_dir = 'sim-workdir'
+        self._base_dir = Path().cwd()
+        self._run_dirs = self._set_run_dirs()
+        self._output_paths = list([])
+        self._output_key_tag = 'output-key'
+        self._sweep_var_tag = 'sweep-vars'
+
+
+    def _set_run_dirs(self) -> list[Path]:
+        """_set_run_dirs: helper function that populates the list of
+        directories that will be created by the manager. Uses the base directory
+        at the start of the path and then creates numbered sub-directory paths
+        based on the sub directory name and number of directories specified.
+
+        Parameters
+        ----------
+
+        Returns
+        -------
+        list[Path]
+            List of paths to the working directories to run simulations in.
+        """
+        run_dirs = list([])
+        for nn in range(self._n_dirs): # type: ignore
+            run_dirs.append(self._base_dir / (self._sub_dir + '-' + str(nn+1)))
+
+        return run_dirs
+
+
+    def set_sub_dir_name(self, sub_dir_name: str) -> None:
+        """set_sub_dir_name: used to set the string used at the start of the
+        created sub-directores. default on creation is 'sim-workdir'. Populates
+        the list of run directories using the new sub directory name.
+
+        Parameters
+        ----------
+        sub_dir_name : str
+            string to be used to name the created
+            sub-directories within the base directory.
+        sub_dir_name: str :
+
+        """
+        self._sub_dir = sub_dir_name
+        self._run_dirs = self._set_run_dirs()
+
+
+    def set_base_dir(self, base_dir: Path, clear_old_dirs = False) -> None:
+        """set_base_dir: sets the base directory to create sub-directors for
+        running the simulations. The base directory must exist.
+
+        Parameters
+        ----------
+        base_dir : Path
+            directory in which the new working directories will
+            be created.
+        clear_old_dirs : bool
+            deletes previous directories in
+            the base directory and their contents if they exist. Defaults
+            to False.
+
+        Returns
+        -------
+
+        Raises
+        ------
+        FileExistsError
+            the selected base directory does no exist.
+
+        """
+        if not base_dir.is_dir():
+            raise FileExistsError("Specified base directory does not exist.")
+
+        if clear_old_dirs:
+            self.clear_dirs()
+
+        self._base_dir = base_dir
+        self._run_dirs = self._set_run_dirs()
+
+
+    def get_output_key_tag(self) -> str:
+        """get_output_key_tag: returns the string used to name the output
+        key files that map the simulation outputs to the various directories
+        that are being managed.
+
+        Parameters
+        ----------
+
+        Returns
+        -------
+        str
+            common string used to name the output key json files.
+
+        """
+        return self._output_key_tag
+
+
+    def get_sweep_var_tag(self) -> str:
+        """get_sweep_var_tag: returns ths string used to name the sweep
+        variable json file that contains a copy of the dictionary the user
+        provided as part of the parameter sweep.
+
+        Parameters
+        ----------
+
+        Returns
+        -------
+        str
+            common string used to name the sweep variable json files.
+
+        """
+        return self._sweep_var_tag
+
+
+    def create_dirs(self) -> list[Path]:
+        """Creates the specified number of directories based on
+        the sub_dir name within the base directory.
+
+        Parameters
+        ----------
+
+        Returns
+        -------
+        list[Path]
+            list of paths to the directories to create.
+
+        """
+        for rr in self._run_dirs:
+            if not rr.is_dir():
+                rr.mkdir()
+
+        return self._run_dirs
+
+
+    def clear_dirs(self) -> None:
+        """Deletes all working directories in the base directory
+        that have the corresponding sub-directory name and their contents.
+        """
+        all_dirs = os.listdir(self._base_dir)
+        for dd in all_dirs:
+            if os.path.isdir(self._base_dir / dd):
+                if self._sub_dir in dd:
+                    shutil.rmtree(self._base_dir / dd)
+
+    def reset_dirs(self) -> list[Path]:
+        """Helper function that first clears the working directories if they
+        exist and then creates new working directories ready for a simulation
+        sweep.
+
+        Returns
+        -------
+        list[Path]
+            List of paths to the created working directories
+        """
+        self.clear_dirs()
+        return self.create_dirs()
+
+    def get_all_run_dirs(self) -> list[Path]:
+        """Returns the list of paths to all the directories
+        that can be used to run simulations.
+
+        Parameters
+        ----------
+
+        Returns
+        -------
+        list[Path]
+            paths to all created directories.
+
+        """
+        return self._run_dirs
+
+
+    def get_run_dir(self, dir_num: int) -> Path:
+        """get_run_dir: returns the path to the run directory based on the
+        input directory number. The directory number can be greater than the
+        number of managed directories in the run_dirs list in this case the
+        directory number will wrap and point at an existing run directory
+        allowing multiple simulations to be run in the same directory.
+
+        Parameters
+        ----------
+        dir_num : int
+            number of the directory path to be retrieved. Can be
+            greater than the specified number of directories and will wrap
+            appropriately
+
+
+        Returns
+        -------
+        Path
+            path to the directory
+
+        """
+        if dir_num < 0:
+            dir_num = 0
+        elif dir_num >= self._n_dirs:
+            dir_num = dir_num % self._n_dirs
+
+        return self._run_dirs[dir_num]
+
+
+    def set_output_paths(self, output_paths: list[list[Path | None]]) -> None:
+        """set_output_paths: sets the list of lists to the simulation output
+        based on herder input.
+
+        Parameters
+        ----------
+        output_paths : list[list[Path | None]]
+            paths to all outputs from the
+            variable sweep. Outer list is the variable combination run
+            inner list is based on the order the simulations were called.
+
+
+        Returns
+        -------
+
+        """
+        self._output_paths = output_paths
+
+
+    def get_output_paths(self) -> list[list[Path | None]]:
+        """get_output_paths: returns the list of lists to the simulation output
+        files.
+
+        Parameters
+        ----------
+
+        Returns
+        -------
+        list[list[Path | None]]
+            paths to all outputs from the variable sweep.
+            Outer list is the variable combination run inner list is based
+            on the order the simulations were called.
+
+        """
+        return self._output_paths
+
+
+    def get_output_key_file(self, sweep_iter: int = 1) -> Path:
+        """get_output_key_file: gets the path to the output key file created
+        during the variable sweep mapping directories to given combinations
+        of variables that were run.
+
+        Parameters
+        ----------
+        sweep_iter : int
+            number corresponding to the sweep iteration to
+            retrieve. Defaults to 1.
+
+        Returns
+        -------
+        Path
+            path to the output key file that maps output paths to the
+            combinations of variables in the sweep.
+
+        """
+        return self._run_dirs[0] / f'{self._output_key_tag}-{sweep_iter:d}.json'
+
+
+    def write_output_key(self, sweep_iter: int) -> None:
+        """write_output_key: converts the output paths to strings and saves
+        them in json format.
+
+        Parameters
+        ----------
+        sweep_iter : int
+            number corresponing to the sweep iteration to
+            write. The sweep iteration is used to number the output key
+            files.
+
+        Returns
+        -------
+
+        """
+        str_output = output_paths_to_str(self._output_paths)
+
+        with open(self.get_output_key_file(sweep_iter), "w", encoding='utf-8') as okf:
+            json.dump(str_output, okf, indent=4)
+
+
+    def get_sweep_var_file(self, sweep_iter: int = 1) -> Path:
+        """get_sweep_var_file: path to the json file which contains the
+        dictionary of variables that were analysed at the given sweep iteration
+
+        Parameters
+        ----------
+        sweep_iter : int
+            Sweep iteration (call number to herd
+            run_para). Defaults to 1.
+
+        Returns
+        -------
+        Path
+            path to the json sweep variable file.
+
+        """
+        return self._run_dirs[0] / f'{self._sweep_var_tag}-{sweep_iter:d}.json'
+
+
+    def write_sweep_vars(self,
+                         sweep_vars: list[list[dict | None]],
+                         sweep_iter: int = 1) -> None:
+        """write_sweep_vars: writes the sweep variable dictionary to a json
+        file to log the variables used for each simulation.
+
+        Parameters
+        ----------
+        sweep_vars : list[list[dict | None]]
+            sweep variables as passed to the herd to run.
+        sweep_iter : int
+            iteration number for number of calls to the
+            herd. Defaults to 1.
+
+        Returns
+        -------
+
+        """
+        with open(self.get_sweep_var_file(sweep_iter), "w", encoding='utf-8') as okf:
+            json.dump(sweep_vars, okf, indent=4)
+
+
+
+def output_paths_to_str(output_files: list[list[Path | None]]
+                        ) -> list[list[str | None]]:
+    """output_paths_to_str: helper function for converting the output paths
+    to strings to allow them to be saved as json.
+
+    Parameters
+    ----------
+    output_files : list[list[Path | None]]
+
+
+    Returns
+    -------
+    list[list[str]]
+        as input with Path converted to str
+
+    """
+    str_output = list([])
+    for sim_iter in output_files:
+        iter_output = list([])
+        for output_path in sim_iter:
+            if output_path is None:
+                iter_output.append(None)
+            else:
+                iter_output.append(str(output_path))
+
+        str_output.append(iter_output)
+
+    return str_output
+
+
+def output_str_to_paths(output_files: list[list[str | None]]
+                        ) -> list[list[Path | None]]:
+    """output_str_to_paths: helper function to convert strings read from output
+    key json to paths.
+
+    Parameters
+    ----------
+    output_files : list[list[str]]
+        output file list of path strings as in the output key file.
+
+    Returns
+    -------
+    list[list[Path]]
+        as input with str converted to Path.
+
+    """
+    str_output = list([])
+
+    for sim_iter in output_files:
+        iter_output = list([])
+        for output_path in sim_iter:
+            if output_path is None:
+                iter_output.append(None)
+            else:
+                iter_output.append(Path(output_path))
+
+        str_output.append(iter_output)
+
+    return str_output

pyvale/mooseherder/exceptions.py

@@ -0,0 +1,10 @@
+# ==============================================================================
+# pyvale: the python validation engine
+# License: MIT
+# Copyright (C) 2025 The Computer Aided Validation Team
+# ==============================================================================
+
+class SimLoadErr(Exception):
+    """Custom exception for errors when loading simulation data from file.
+    """
+    pass