Source code for pylbo.utilities.datfiles.file_loader

import os
import tkinter as tk
from pathlib import Path
from tkinter import filedialog

import numpy as np
from pylbo.data_containers import LegolasDataSeries, LegolasDataSet
from pylbo.exceptions import InvalidLegolasFile
from pylbo.utilities.logger import pylboLogger
from pylbo.utilities.toolbox import transform_to_list

[docs] def _validate_file(file): """ Checks the file validity of a given logfile or datfile. Parameters ---------- file : str, ~os.PathLike The path to the datfile, either as a :class:`str` or :class:`~os.PathLike` object. Raises ------- FileNotFoundError If the datfile can not be found. InvalidLegolasFile If the datfile is not a valid Legolas output file. """ path_to_file = Path(file).resolve() if not path_to_file.is_file(): raise FileNotFoundError(path_to_file) if path_to_file.suffix not in (".dat", ".log"): raise InvalidLegolasFile(path_to_file)
[docs] def load(datfile): """ Loads a single Legolas datfile. Parameters ---------- datfile : str, ~os.PathLike Path to the datfile. Raises ------ ValueError If `datfile` is not a single file. Returns ------- ds : ~pylbo.data_containers.LegolasDataSet A dataset instance for the given datfile. """ if not isinstance(datfile, (str, os.PathLike)): raise ValueError("load() takes a single datfile.") _validate_file(datfile) ds = LegolasDataSet(datfile)"Legolas v{ds.legolas_version}")"file loaded : {ds.datfile.parent}/{}")"gridpoints : {ds.gridpoints}")"geometry : {ds.geometry} in {ds.x_start, ds.x_end}")"equilibrium : {ds.eq_type}")"state vector: {ds.header.get('state_vector', 'not present')}") f"basis functions: {ds.header.get('basis_functions', 'not present')}" ) if ds.has_matrices:"matrices present in datfile") if ds.has_eigenvectors:"eigenvectors present in datfile") if ds.has_efs:"eigenfunctions present in datfile") if ds.has_derived_efs:"derived eigenfunctions present in datfile") if ds.has_ef_subset: saved_efs = len(ds.header["ef_written_idxs"]) total_efs = len(ds.eigenvalues) f"subset saved: {saved_efs}/{total_efs} eigenvalues have eigenfunctions" )"-" * 75) return ds
[docs] def load_series(datfiles): """ Loads multiple Legolas datfiles. Parameters ---------- datfiles : list, numpy.ndarray Paths to the datfiles that should be loaded, in list/array form. Every element should be a string or a ~os.PathLike object. Raises ------ ValueError If an empty list or array is supplied. Returns ------- series : ~pylbo.data_containers.LegolasDataSeries A dataseries instance for the given datfiles. """ transform_to_list(datfiles) if not datfiles: raise ValueError("load_series: supplied an empty list") for datfile in datfiles: _validate_file(datfile) series = LegolasDataSeries(datfiles) # handle version printing versions = [ds.legolas_version.parse() for ds in series.datasets] minversion, maxversion = min(versions), max(versions) if minversion == maxversion: info_msg = str(minversion) else: info_msg = f"{minversion} --> {maxversion}""Legolas_version : {info_msg}") # handle file information printing names = sorted([ for ds in series.datasets])"files loaded : {names[0]} --> {names[-1]}") # handle gridpoints printing pts = [ds.gridpoints for ds in series.datasets] minpts, maxpts = min(pts), max(pts) if minpts == maxpts: info_msg = str(minpts) else: info_msg = f"{minpts} --> {maxpts}""gridpoints : {info_msg}") # handle geometry printing if not isinstance(series.geometry, str) and len(series.geometry) > 1: pylboLogger.warning("multiple geometries detected!") else:"geometries : {series.geometry}") # handle equilibrium printing equils = set([ds.eq_type for ds in series.datasets]) if len(equils) > 1: pylboLogger.error(f"multiple equilibria detected! -- {equils}") raise ValueError else:"equilibria : {equils.pop()}") # check presence of matrices matrices_present = set(series.has_matrices) if len(matrices_present) > 1:"matrices present in some datfiles, but not all") else: if matrices_present.pop():"matrices present in all datfiles") # check presence of eigenfunctions efs_present = set(series.has_efs) if len(efs_present) > 1:"eigenfunctions present in some datfiles, but not all") else: if efs_present.pop():"eigenfunctions present in all datfiles") # check presence of derived eigenfunctions defs_present = set(series.has_derived_efs) if len(defs_present) == 0:"no derived eigenfunctions present") elif len(defs_present) > 1:"derived eigenfunctions present in some datfiles, but not all") else: if defs_present.pop():"derived eigenfunctions present in all datfiles")"-" * 75) return series
[docs] def load_logfile(logfile, sort=False): """ Reads a Legolas log file. Parameters ---------- logfile : str, ~os.PathLike The path to the logfile. sort : bool If `True`, sorts the eigenvalues in the logfile. Sorting is done first on the real part, then on the imaginary part. Returns ------- eigenvalues : numpy.ndarray Array containing the eigenvalues from the logfile. """ _validate_file(logfile) filepath = Path(logfile).resolve() eigenvalues = [] with open(filepath, "r") as logfile: for line in logfile: line = line.strip().split(",") x, y = line eigenvalues.append(complex(float(x), float(y))) eigenvalues = np.asarray(eigenvalues) if sort: eigenvalues = np.sort(eigenvalues) return eigenvalues
[docs] def select_files(): """ Opens an interactive window to select files to open. Requires a visual interface. Returns ------- files : list A list containing the paths to the files selected. """ root = tk.Tk() root.withdraw() root.lift() root.focus_set() files = list( filedialog.askopenfilenames(parent=root, title="Select Legolas file(s)") ) root.destroy() if not files: exit() return files