fiqus 2024.7.0__py3-none-any.whl → 2024.12.0__py3-none-any.whl

fiqus/MainFiQuS.py

@@ -1,110 +1,141 @@
-import os
-import getpass
-import time
 import argparse
+import csv
+import os
 import pathlib
 import sys
+import time
+import getpass
+import platform
+import subprocess
+import json
+
+import pandas as pd
 
 FiQuS_path = os.path.dirname(os.path.dirname(os.path.abspath(__file__)))
 sys.path.insert(0, FiQuS_path)
 
-from fiqus.utils.Utils import initialize_logger
 from fiqus.utils.Utils import FilesAndFolders as Util
 from fiqus.utils.Utils import CheckForExceptions as Check
-from fiqus.data import DataFiQuS as dF
-from fiqus.mains.MainMultipole import MainMultipole
+from fiqus.utils.Utils import create_json_schema
+from fiqus.utils.Utils import get_data_settings
+from fiqus.utils.Utils import initialize_logger
+from fiqus.data.DataFiQuS import FDM
+from fiqus.data.DataSettings import DataSettings
 from fiqus.mains.MainCCT import MainCCT
+from fiqus.mains.MainMultipole import MainMultipole
 from fiqus.mains.MainPancake3D import MainPancake3D
 from fiqus.mains.MainConductorAC_Strand import MainConductorAC_Strand
 
-
 class MainFiQuS:
+    """
+    This is the top level class of FiQuS.
+    """
+
     def __init__(
-        self,
-        input_file_path: str = None,
-        model_folder: str = None,
-        verbose: bool = True,
-        fdm=None,
-        GetDP_path=None,
+            self,
+            input_file_path: str = None,
+            model_folder: str = None,
+            GetDP_path=None,
+            fdm=None,
+            fds=None,
+            htcondor_jobid=None
     ):
         """
         Main class for working with FiQuS simulations
-        :param input_file_path: input file name
-        :param verbose: if True, more info is printed in the console
+        :param input_file_path: full path to input file yaml
+        :type input_file_path: str
+        :param model_folder: full path to the base output folder, called model folder
+        :type model_folder: str
+        :param GetDP_path: full path to GetDP executable
+        :type GetDP_path: str
+        :param fdm: FiQuS Data Model - object of fiqus DataFiQus
+        :type fdm: object
+        :param fds: FiQuS Data Settings - object of DataSettings
+        :type fds: object
         """
         self.time_stamp = time.strftime("%Y-%m-%d-%H-%M-%S")
 
         self.start_folder = os.getcwd()
         self.wrk_folder = model_folder
+        self.file_name = None
 
-        # Intialize logger
+        # Load yaml input file
+        if not fdm:
+            self.fdm: FDM = Util.read_data_from_yaml(input_file_path, FDM)
+            copyInputFile = (
+                "copy"
+                f" {input_file_path} {os.path.join(self.wrk_folder, 'logs', f'INPUT_FILE_{self.time_stamp}.FiQuS.yaml')}"
+            )
+            subprocess.run(copyInputFile, shell=True, stdout=subprocess.DEVNULL)
+        else:
+            self.fdm: FDM = fdm
+        verbose = self.fdm.run.verbosity_FiQuS
         self.logger = initialize_logger(
             verbose=verbose, time_stamp=self.time_stamp, work_folder=self.wrk_folder
         )
-
-        self.verbose = verbose
-        if self.verbose:
+        if verbose:
             Util.print_welcome_graphics()
+        # Intialize logger
 
-        # Load yaml input file
-        if not fdm:
-            self.fdm = Util.read_data_from_yaml(input_file_path, dF.FDM)
-        else:
-            self.fdm = fdm
+        # Create JSON schema
+        create_json_schema(self.fdm)
 
         # Check for input errors
-        Check.check_inputs(self.fdm.run)
+        Check.check_inputs(run=self.fdm.run)
 
         # Initialize Main object
         if self.fdm.magnet.type == "CCT_straight":
             self.main_magnet = MainCCT(fdm=self.fdm, verbose=verbose)
-
-        elif self.fdm.magnet.type == "multipole":
-            # Load settings
-            self.sdm = Util.read_data_from_yaml(
-                f"{input_file_path[:-5]}.set", dF.FiQuSSettings
-            )
-
-            self.main_magnet = MainMultipole(
+        elif self.fdm.magnet.type == "CWS":
+            self.main_magnet = MainCWS(
                 fdm=self.fdm,
-                sdm=self.sdm,
-                rgd_path=f"{input_file_path[:-5]}.geom",
-                verbose=verbose,
+                inputs_folder_path=pathlib.Path(input_file_path).parent,
+                verbose=self.fdm.run.verbosity_FiQuS,
             )
-
         elif self.fdm.magnet.type == "Pancake3D":
             self.main_magnet = MainPancake3D(fdm=self.fdm, verbose=verbose)
         elif self.fdm.magnet.type == "CACStrand":
             self.main_magnet = MainConductorAC_Strand(fdm=self.fdm, inputs_folder_path=pathlib.Path(input_file_path).parent, outputs_folder_path=model_folder, verbose=verbose)
+        elif self.fdm.magnet.type == "CACRutherford":
+            self.main_magnet = MainConductorAC_Rutherford(fdm=self.fdm, inputs_folder_path=pathlib.Path(input_file_path).parent, verbose=verbose)
+        elif self.fdm.magnet.type == "Racetrack":
+            self.main_magnet = MainRacetrack(fdm=self.fdm, verbose=verbose)
+        elif self.fdm.magnet.type == "Racetrack3D":
+            self.main_magnet = MainRacetrack3D(fdm=self.fdm, inputs_folder_path=pathlib.Path(input_file_path).parent, verbose=verbose)
+        elif self.fdm.magnet.type == "multipole":
+            self.file_name = os.path.basename(input_file_path)[:-5]
+            if not self.fdm.magnet.geometry.geom_file_path:
+                self.fdm.magnet.geometry.geom_file_path = f"{input_file_path[:-5]}.geom"
+            self.main_magnet = MainMultipole(
+                fdm=self.fdm,
+                rgd_path=self.fdm.magnet.geometry.geom_file_path,
+                verbose=verbose,
+            )
+
         else:
             raise ValueError(
                 f"FiQuS does not support magnet type: {self.fdm.magnet.type}!"
             )
 
         # Load user paths for executables and additional files
-        user_name = getpass.getuser()
-        if verbose:
-            print(f"FiQuS is running on machine with user name: {user_name}")
-        if user_name in ["root", "MP-WIN-02$"]:
-            user_name = "SYSTEM"
-        path_to_settings_file = os.path.join(
-            os.path.dirname(os.path.dirname(__file__)),
-            "tests",
-            f"settings.{user_name}.yaml",
-        )
-        if verbose:
-            print(f"FiQuS is using settings file: {path_to_settings_file}")
-        if GetDP_path:
-            self.main_magnet.settings = {"GetDP_path": GetDP_path}
-            self.main_magnet.GetDP_path = GetDP_path
+        self.logger.info(f'{getpass.getuser()} is running on {platform.platform()}')
+        if not fds:
+            fds = get_data_settings(GetDP_path=GetDP_path)
         else:
-            self.main_magnet.settings = Util.read_data_from_yaml(
-                path_to_settings_file, dict
-            )
-            self.main_magnet.GetDP_path = self.main_magnet.settings["GetDP_path"]
+            fds = get_data_settings(GetDP_path=GetDP_path, settings=fds)
+        self.main_magnet.GetDP_path = fds.GetDP_path
+        self.logger.info(f"{self.main_magnet.GetDP_path} is going to be used for FE solving.")
+        
+        # self.logger.info(gmsh.onelab.run(self.fdm.general.magnet_name, f"{self.main_magnet.settings['GetDP_path']} -info"))
+        
+        # update htcondor csv
+        if htcondor_jobid:
+            base_path_model_files = fds.base_path_model_files
+            htcondor_csv_file = os.path.join(base_path_model_files, "htcondor_run_log.csv")
+
+            self.change_htcondor_run_log(htcondor_csv_file, htcondor_jobid, "Running")
 
         # Save Model/Geometry/Mesh/Solution folder paths
-        Util.prep_folder(self.wrk_folder)
         self.save_folders()
 
         # Build magnet
@@ -121,9 +152,27 @@ class MainFiQuS:
                 "maximum_diff",
             ]
         )
-        self.build_magnet()
+
+        try:
+            self.build_magnet()
+        except Exception as e:
+            # update htcondor csv
+            if htcondor_jobid:
+                self.change_htcondor_run_log(htcondor_csv_file, htcondor_jobid, "Failed")
+            
+            self.logger.error(f"Error: {e}")
+            raise e
+        else:
+            # update htcondor csv
+            if htcondor_jobid:
+                self.change_htcondor_run_log(htcondor_csv_file, htcondor_jobid, "Finished")
 
     def save_folders(self):
+        """
+        Method to make or delete folders of FiQuS
+        :return: Nothing, only does file and folder operation
+        :rtype: None
+        """
         def _check_and_generate_path(folder_type: str = None):
             if folder_type == "Geometry":
                 folder = self.wrk_folder
@@ -147,7 +196,7 @@ class MainFiQuS:
 
             required_folder = folder_type in required_folders
             if self.fdm.run.overwrite and folder_type == (
-                required_folders[0] if required_folders else None
+                    required_folders[0] if required_folders else None
             ):
                 Check.check_overwrite_conditions(
                     folder_type=folder_type, folder=folder, folder_key=folder_key
@@ -182,10 +231,14 @@ class MainFiQuS:
             required_folders = []
 
         fdm = self.main_magnet.fdm.magnet
+
         self.main_magnet.geom_folder = _check_and_generate_path(folder_type="Geometry")
-        if not self.fdm.run.type in ["geometry_only", "plot_python"]:
+        if not self.fdm.run.type in ["geometry_only"]:
             self.main_magnet.mesh_folder = _check_and_generate_path(folder_type="Mesh")
-        if not (self.fdm.run.type in ["geometry_only", "mesh_only", "plot_python"]):
+        if not (
+                self.fdm.run.type == "geometry_only"
+                or self.fdm.run.type == "mesh_only"
+        ):
             self.main_magnet.solution_folder = _check_and_generate_path(
                 folder_type="Solution"
             )
@@ -195,9 +248,11 @@ class MainFiQuS:
             "geometry_and_mesh",
             "geometry_only",
         ]:
-            Util.write_data_to_yaml(
+            Util.write_data_model_to_yaml(
                 os.path.join(self.main_magnet.geom_folder, "geometry.yaml"),
-                fdm.geometry.dict(by_alias=True),
+                fdm.geometry,
+                by_alias=True,
+                with_comments=True,
             )
         if self.fdm.run.type in [
             "start_from_yaml",
@@ -205,9 +260,11 @@ class MainFiQuS:
             "mesh_and_solve_with_post_process_python",
             "mesh_only",
         ]:
-            Util.write_data_to_yaml(
+            Util.write_data_model_to_yaml(
                 os.path.join(self.main_magnet.mesh_folder, "mesh.yaml"),
-                fdm.mesh.dict(by_alias=True),
+                fdm.mesh,
+                by_alias=True,
+                with_comments=True,
             )
         if self.fdm.run.type in [
             "start_from_yaml",
@@ -215,10 +272,13 @@ class MainFiQuS:
             "solve_with_post_process_python",
             "solve_only",
             "post_process",
+            "plot_python"
         ]:
-            Util.write_data_to_yaml(
+            Util.write_data_model_to_yaml(
                 os.path.join(self.main_magnet.solution_folder, "solve.yaml"),
-                fdm.solve.dict(by_alias=True),
+                fdm.solve,
+                by_alias=True,
+                with_comments=True,
             )
         if self.fdm.run.type in [
             "start_from_yaml",
@@ -227,101 +287,163 @@ class MainFiQuS:
             "post_process_python_only",
             "post_process_getdp_only",
             "post_process",
+            "plot_python"
         ]:
-            Util.write_data_to_yaml(
+            Util.write_data_model_to_yaml(
                 os.path.join(self.main_magnet.solution_folder, "postproc.yaml"),
-                fdm.postproc.dict(by_alias=True),
+                fdm.postproc,
+                by_alias=True,
+                with_comments=True,
+            )
+
+        try:
+            run_type = self.fdm.run.type
+            comments = self.fdm.run.comments
+            if self.main_magnet.geom_folder is not None:
+                geo_folder = os.path.relpath(self.main_magnet.geom_folder)
+                geo_folder = os.path.relpath(
+                    geo_folder, os.path.join("tests", "_outputs")
+                )
+            else:
+                geo_folder = "-"
+
+            if self.main_magnet.mesh_folder is not None:
+                mesh_folder = os.path.relpath(self.main_magnet.mesh_folder)
+                mesh_folder = os.path.relpath(
+                    mesh_folder, os.path.join("tests", "_outputs")
+                )
+            else:
+                mesh_folder = "-"
+
+            if self.main_magnet.solution_folder is not None:
+                solution_folder = os.path.relpath(self.main_magnet.solution_folder)
+                solution_folder = os.path.relpath(
+                    solution_folder, os.path.join("tests", "_outputs")
+                )
+            else:
+                solution_folder = "-"
+
+            run_log_row = [
+                self.time_stamp,
+                run_type,
+                comments,
+                geo_folder,
+                mesh_folder,
+                solution_folder,
+            ]
+            self.add_to_run_log(
+                os.path.join(self.wrk_folder, "run_log.csv"), run_log_row
             )
+        except:
+            self.logger.warning("Run log could not be completed.")
 
     def build_magnet(self):
-        if self.fdm.run.type == "start_from_yaml":  # needs 3 files (yaml, set, geom)
+        """
+        Main method to build magnets, i.e. to run various fiqus run types and magnet types
+        :return: none
+        :rtype: none
+        """
+        if self.fdm.run.type == "start_from_yaml":
             self.main_magnet.generate_geometry()
             self.main_magnet.pre_process()
             self.main_magnet.load_geometry()
             for key, value in self.main_magnet.mesh().items():
                 self.summary[key] = value
-            self.summary[
-                "solution_time"
-            ] = self.main_magnet.solve_and_postprocess_getdp()
-            for key, value in self.main_magnet.post_process_python(
-                gui=self.main_magnet.fdm.run.launch_gui
-            ).items():
+            self.summary["solution_time"] = self.main_magnet.solve_and_postprocess_getdp()
+            for key, value in self.main_magnet.post_process_python(gui=self.main_magnet.fdm.run.launch_gui).items():
                 self.summary[key] = value
+        elif self.fdm.run.type == "pre_process_only":
+            self.main_magnet.pre_process()
+            for key, value in self.main_magnet.post_process_python(gui=self.main_magnet.fdm.run.launch_gui).items():
+                self.summary[key] = value  # todo: DISABLE FOR ONE GROUP ONLY
         elif self.fdm.run.type == "geometry_only":
-            if len(os.listdir(self.main_magnet.geom_folder)) == 1:
-                self.main_magnet.generate_geometry()  # needs 3 files (yaml, set, geom)
+            self.main_magnet.generate_geometry(
+               gui=(self.main_magnet.fdm.run.launch_gui if self.fdm.magnet.type != "CCT_straight" else False)
+            )
+            if self.fdm.magnet.type in ["CCT_straight", "CWS"]:
                 self.main_magnet.pre_process(gui=self.main_magnet.fdm.run.launch_gui)
-            else:
-                self.main_magnet.load_geometry(
-                    gui=self.main_magnet.fdm.run.launch_gui
-                )  # needs 2 files (yaml, brep)
         elif self.fdm.run.type == "geometry_and_mesh":
             self.main_magnet.generate_geometry()
             self.main_magnet.pre_process()
             self.main_magnet.load_geometry()
             for key, value in self.main_magnet.mesh(gui=self.main_magnet.fdm.run.launch_gui).items():
                 self.summary[key] = value
-        elif (
-            self.fdm.run.type == "mesh_and_solve_with_post_process_python"
-        ):  # needs 5 files (yaml, strs/map2d, set, brep, aux)
+        elif self.fdm.run.type == "mesh_and_solve_with_post_process_python":
             self.main_magnet.load_geometry()
             for key, value in self.main_magnet.mesh().items():
-                self.summary[key] = value
-            self.summary[
-                "solution_time"
-            ] = self.main_magnet.solve_and_postprocess_getdp()
-            for key, value in self.main_magnet.post_process_python(
-                gui=self.main_magnet.fdm.run.launch_gui
-            ).items():
-                self.summary[key] = value
+               self.summary[key] = value
+            self.summary["solution_time"] = self.main_magnet.solve_and_postprocess_getdp()
+            for key, value in self.main_magnet.post_process_python(gui=self.main_magnet.fdm.run.launch_gui).items():
+               self.summary[key] = value
         elif self.fdm.run.type == "mesh_only":
-            if len(os.listdir(self.main_magnet.mesh_folder)) == 1:
-                self.main_magnet.load_geometry()  # needs 3 files (yaml, brep, aux)
-                for key, value in self.main_magnet.mesh(
-                    gui=self.main_magnet.fdm.run.launch_gui
-                ).items():
-                    self.summary[key] = value
-            else:
-                self.main_magnet.load_mesh(
-                    gui=self.main_magnet.fdm.run.launch_gui
-                )  # needs 2 files (yaml, msh)
-        elif (
-            self.fdm.run.type == "solve_with_post_process_python"
-        ):  # needs 5 files (yaml, strs/map2d, set, msh, reg)
-            self.summary[
-                "solution_time"
-            ] = self.main_magnet.solve_and_postprocess_getdp()
-            for key, value in self.main_magnet.post_process_python(
-                gui=self.main_magnet.fdm.run.launch_gui
-            ).items():
+            self.main_magnet.load_geometry()
+            for key, value in self.main_magnet.mesh(gui=self.main_magnet.fdm.run.launch_gui).items():
+                self.summary[key] = value
+        elif self.fdm.run.type == "solve_with_post_process_python":
+            self.summary["solution_time"] = (
+                self.main_magnet.solve_and_postprocess_getdp(gui=self.main_magnet.fdm.run.launch_gui)
+            )
+            for key, value in self.main_magnet.post_process_python(gui=self.main_magnet.fdm.run.launch_gui).items():
                 self.summary[key] = value
-        elif (
-            self.fdm.run.type == "solve_only"
-        ):  # needs 5 files (yaml, strs/map2d, set, msh, reg)
-            self.summary[
-                "solution_time"
-            ] = self.main_magnet.solve_and_postprocess_getdp(
-                gui=self.main_magnet.fdm.run.launch_gui
+        elif self.fdm.run.type == "solve_only":
+            self.summary["solution_time"] = (
+                self.main_magnet.solve_and_postprocess_getdp(gui=self.main_magnet.fdm.run.launch_gui)
             )
         elif self.fdm.run.type == "post_process_getdp_only":
             self.main_magnet.post_process_getdp(gui=self.main_magnet.fdm.run.launch_gui)
         elif self.fdm.run.type == "post_process_python_only":
-            for key, value in self.main_magnet.post_process_python(
-                gui=self.main_magnet.fdm.run.launch_gui
-            ).items():
+            for key, value in self.main_magnet.post_process_python(gui=self.main_magnet.fdm.run.launch_gui).items():
                 self.summary[key] = value
         elif self.fdm.run.type == "post_process":
             self.main_magnet.post_process_getdp(gui=self.main_magnet.fdm.run.launch_gui)
-            for key, value in self.main_magnet.post_process_python(
-                gui=self.main_magnet.fdm.run.launch_gui
-            ).items():
+            for key, value in self.main_magnet.post_process_python(gui=self.main_magnet.fdm.run.launch_gui).items():
                 self.summary[key] = value
         elif self.fdm.run.type == "plot_python":
             self.main_magnet.plot_python()
+
         elif self.fdm.run.type == "batch_post_process_python":
             self.main_magnet.batch_post_process_python()
         os.chdir(self.start_folder)
 
+        if self.file_name: json.dump(self.summary, open(f"{os.path.join(self.wrk_folder, self.file_name)}.json", 'w'))
+        # mesh_par = self.fdm.magnet.mesh
+        # if self.summary['solution_time']:
+        #     with open(r"C:\Users\avitrano\PycharmProjects\steam_sdk\tests\parsims\FiQuS_run\summary.dat", 'a') as f:
+        #         content = (f"{mesh_par.mesh_coil.SizeMin}     {mesh_par.mesh_coil.SizeMax}      {mesh_par.mesh_iron.SizeMin}      {mesh_par.mesh_iron.SizeMax}       "
+        #                    f"{self.summary['solution_time']}    {self.summary['overall_error']}       {self.summary['overall_error'] * 0.999 + self.summary['solution_time'] * 0.001}       "
+        #                    f"{self.summary['SJ']}     {self.summary['SICN']}      {self.summary['SIGE']}      {self.summary['Gamma']}       "
+        #                    f"{self.summary['nodes']}    {self.summary['minimum_diff']}    {self.summary['maximum_diff']}\n")
+        #         f.writelines(content)
+
+    @staticmethod
+    def add_to_run_log(path_to_csv, run_log_row):
+        # If file does not exist, write the header
+        if not os.path.isfile(path_to_csv):
+            header = [
+                "Time Stamp",
+                "Run Type",
+                "Comments",
+                "Geometry Directory",
+                "Mesh Directory",
+                "Solution Directory",
+            ]
+            with open(path_to_csv, "a", newline="") as csv_file:
+                writer = csv.writer(csv_file)
+                writer.writerow(header)
+
+        # Open the CSV file in append mode
+        with open(path_to_csv, "a+", newline="") as csv_file:
+            writer = csv.writer(csv_file)
+            writer.writerow(run_log_row)
+
+    def change_htcondor_run_log(self, htcondor_csv_file, htcondor_jobid, new_status="None"):
+        try: 
+            df = pd.read_csv(htcondor_csv_file)
+            df.loc[df['Job ID'] == htcondor_jobid, 'Status'] = str(new_status)
+            self.logger.info(f"Changed status of JobID {htcondor_jobid} to {new_status} in {htcondor_csv_file}.")
+            df.to_csv(htcondor_csv_file, index=False)
+        except:
+            self.logger.warning(f"Could not change status of JobID {htcondor_jobid} to {new_status} in {htcondor_csv_file}.")
 
 if __name__ == "__main__":
     parser = argparse.ArgumentParser(
@@ -340,14 +462,48 @@ if __name__ == "__main__":
     parser.add_argument(
         "--getdp", '-g', dest="GetDP_path", type=str, help="Full path to GetDP executable"
     )
+
+    parser.add_argument("--htcondor_jobid", '-j', type=int, default=0,
+                        help="HTCondor job ID (optional)", required=False)
+
+    parser.add_argument("--fiqus_data_model", '-m', type=str, 
+                        help="Full path to FiQuS Data Model file (optional)", required=False)
+
+    parser.add_argument("--fiqus_data_settings", '-s', type=str, 
+                        help="Full path to FiQuS Data Settings file (optional)", required=False)
+
     args, unknown = parser.parse_known_args()
-    # args = parser.parse_args()
-    # print(args.full_path_input)
-    # print(args.output_path)
-    # print(args.GetDP_path)
-    MainFiQuS(
-        input_file_path=args.full_path_input,
-        model_folder=args.output_path,
-        GetDP_path=args.GetDP_path,
-    )
+
+    # remove these options from sys.argv, otherwise they are passed onto Gmsh
+    # in Gmsh.initialize()
+    options_to_remove = ["-o", "-g", "-j", "-m", "-s"]
+    # Loop through and remove each option and its value
+    i = 0
+    while i < len(sys.argv):
+        if sys.argv[i] in options_to_remove:
+            sys.argv.pop(i)  # Remove the option
+            if i < len(sys.argv):
+                sys.argv.pop(i)  # Remove the associated value
+        else:
+            i += 1
+
+    if args.fiqus_data_model != None and args.fiqus_data_settings != None:
+        # read fdm and fds from a file (HTCondor case)
+        input_fdm = Util.read_data_from_yaml(args.fiqus_data_model, FDM)
+        input_fds = Util.read_data_from_yaml(args.fiqus_data_settings, DataSettings)
+
+        MainFiQuS(
+            input_file_path=args.full_path_input,
+            model_folder=args.output_path,
+            fdm=input_fdm,
+            fds=input_fds,
+            htcondor_jobid=args.htcondor_jobid
+        )
+    else:
+        # fdm and fds from input (STEAM SDK case)
+        MainFiQuS(
+            input_file_path=args.full_path_input,
+            model_folder=args.output_path,
+            GetDP_path=args.GetDP_path,
+        )
     print("FiQuS run completed")