Support opening single model XML files

openmc_plotter/__init__.py

@@ -1,2 +1 @@
-
 __version__ = '0.3.1'

openmc_plotter/__main__.py

@@ -1,5 +1,3 @@
-#!/usr/bin/env python
-
 from argparse import ArgumentParser
 from pathlib import Path
 from threading import Thread
@@ -13,28 +11,28 @@
 from . import __version__
 from .main_window import MainWindow, _openmcReload
 
+
 def main():
     ap = ArgumentParser(description='OpenMC Plotter GUI')
     version_str = f'OpenMC Plotter Version: {__version__}'
     ap.add_argument('-v', '--version', action='version', version=version_str,
                     help='Display version info.')
-    ap.add_argument('-d', '--model-directory', default=os.curdir,
-                    help='Location of model dir (default is current dir)')
     ap.add_argument('-e','--ignore-settings', action='store_false',
                     help='Ignore plot_settings.pkl file if present.')
     ap.add_argument('-s', '--threads', type=int, default=None,
                     help='If present, number of threads used to generate plots.')
+    ap.add_argument('model_path', nargs='?', default=os.curdir,
+                    help='Location of model XML file or a directory containing '
+                    'XML files (default is current dir)')
 
     args = ap.parse_args()
 
-    os.chdir(args.model_directory)
-
     run_app(args)
 
 
 def run_app(user_args):
-    path_icon = str(Path(__file__).parent / 'assets/openmc_logo.png')
-    path_splash = str(Path(__file__).parent / 'assets/splash.png')
+    path_icon = str(Path(__file__).parent / 'assets' / 'openmc_logo.png')
+    path_splash = str(Path(__file__).parent / 'assets' / 'splash.png')
 
     app = QApplication(sys.argv)
     app.setOrganizationName("OpenMC")
@@ -53,7 +51,7 @@ def run_app(user_args):
                        QtCore.Qt.AlignHCenter | QtCore.Qt.AlignBottom)
     app.processEvents()
     # load OpenMC model on another thread
-    openmc_args = {'threads': user_args.threads}
+    openmc_args = {'threads': user_args.threads, 'model_path': user_args.model_path}
     loader_thread = Thread(target=_openmcReload, kwargs=openmc_args)
     loader_thread.start()
     # while thread is working, process app events
@@ -67,7 +65,7 @@ def run_app(user_args):
 
     font_metric = QtGui.QFontMetrics(app.font())
     screen_size = app.primaryScreen().size()
-    mainWindow = MainWindow(font_metric, screen_size)
+    mainWindow = MainWindow(font_metric, screen_size, user_args.model_path)
     # connect splashscreen to main window, close when main window opens
     mainWindow.loadGui(use_settings_pkl=user_args.ignore_settings)
     mainWindow.show()

openmc_plotter/docks.py

@@ -678,9 +678,9 @@ def update(self):
             self.tallySelector.addItem("None")
             for idx, tally in enumerate(self.model.statepoint.tallies.values()):
                 if tally.name == "":
-                    self.tallySelector.addItem('Tally {}'.format(tally.id), userData=tally.id)
+                    self.tallySelector.addItem(f'Tally {tally.id}', userData=tally.id)
                 else:
-                    self.tallySelector.addItem('Tally {} "{}"'.format(tally.id, tally.name), userData=tally.id)
+                    self.tallySelector.addItem(f'Tally {tally.id} "{tally.name}"', userData=tally.id)
                 self.tally_map[idx] = tally
             self.updateSelectedTally()
             self.updateMinMax()

openmc_plotter/main_window.py

@@ -1,6 +1,6 @@
 import copy
 from functools import partial
-import os
+from pathlib import Path
 import pickle
 from threading import Thread
 
@@ -20,15 +20,14 @@
 except ImportError:
     _HAVE_VTK = False
 
-from .plotmodel import PlotModel, DomainTableModel, hash_file
+from .plotmodel import PlotModel, DomainTableModel, hash_model
 from .plotgui import PlotImage, ColorDialog
 from .docks import DomainDock, TallyDock
 from .overlays import ShortcutsOverlay
 from .tools import ExportDataDialog
 
-_COORD_LEVELS = 0
 
-def _openmcReload(threads=None):
+def _openmcReload(threads=None, model_path='.'):
     # reset OpenMC memory, instances
     openmc.lib.reset()
     openmc.lib.finalize()
@@ -37,18 +36,22 @@ def _openmcReload(threads=None):
     args = ["-c"]
     if threads is not None:
         args += ["-s", str(threads)]
+    args.append(model_path)
     openmc.lib.init(args)
     openmc.lib.settings.verbosity = 1
 
+
 class MainWindow(QMainWindow):
     def __init__(self,
                  font=QtGui.QFontMetrics(QtGui.QFont()),
-                 screen_size=QtCore.QSize()):
+                 screen_size=QtCore.QSize(),
+                 model_path='.'):
         super().__init__()
 
         self.screen = screen_size
         self.font_metric = font
         self.setWindowTitle('OpenMC Plot Explorer')
+        self.model_path = Path(model_path)
 
     def loadGui(self, use_settings_pkl=True):
 
@@ -451,7 +454,7 @@ def loadModel(self, reload=False, use_settings_pkl=True):
         if reload:
             self.resetModels()
         else:
-            self.model = PlotModel(use_settings_pkl)
+            self.model = PlotModel(use_settings_pkl, self.model_path)
 
             # update plot and model settings
             self.updateRelativeBases()
@@ -1151,11 +1154,10 @@ def closeEvent(self, event):
 
     def saveSettings(self):
         if self.model.statepoint:
-                self.model.statepoint.close()
+            self.model.statepoint.close()
 
-        # get hashes for geometry.xml and material.xml at close
-        mat_xml_hash = hash_file('materials.xml')
-        geom_xml_hash = hash_file('geometry.xml')
+        # get hashes for material.xml and geometry.xml at close
+        mat_xml_hash, geom_xml_hash = hash_model(self.model_path)
 
         pickle_data = {
             'version': self.model.version,
@@ -1164,7 +1166,11 @@ def saveSettings(self):
             'mat_xml_hash': mat_xml_hash,
             'geom_xml_hash': geom_xml_hash
         }
-        with open('plot_settings.pkl', 'wb') as file:
+        if self.model_path.is_file():
+            settings_pkl = self.model_path.with_name('plot_settings.pkl')
+        else:
+            settings_pkl = self.model_path / 'plot_settings.pkl'
+        with settings_pkl.open('wb') as file:
             pickle.dump(pickle_data, file)
 
     def exportTallyData(self):

openmc_plotter/plotmodel.py

@@ -1,11 +1,12 @@
 from ast import literal_eval
 from collections import defaultdict
 import copy
+import hashlib
 import itertools
-import threading
 import os
+from pathlib import Path
 import pickle
-import hashlib
+import threading
 
 from PySide2.QtWidgets import QItemDelegate, QColorDialog, QLineEdit, QMessageBox
 from PySide2.QtCore import QAbstractTableModel, QModelIndex, Qt, QSize, QEvent
@@ -18,7 +19,7 @@
 from .statepointmodel import StatePointModel
 from .plot_colors import random_rgb, reset_seed
 
-ID, NAME, COLOR, COLORLABEL, MASK, HIGHLIGHT = tuple(range(0, 6))
+ID, NAME, COLOR, COLORLABEL, MASK, HIGHLIGHT = range(6)
 
 _VOID_REGION = -1
 _NOT_FOUND = -2
@@ -28,7 +29,6 @@
 _PROPERTY_INDICES = {'temperature': 0, 'density': 1}
 
 _REACTION_UNITS = 'Reactions per Source Particle'
-_FLUX_UNITS = 'Particle-cm per Source Particle'
 _PRODUCTION_UNITS = 'Particles Produced per Source Particle'
 _ENERGY_UNITS = 'eV per Source Particle'
 
@@ -60,10 +60,11 @@
                  'Std. Dev.': 'std_dev',
                  'Rel. Error': 'rel_err'}
 
-def hash_file(filename):
+
+def hash_file(path):
     # return the md5 hash of a file
     h = hashlib.md5()
-    with open(filename,'rb') as file:
+    with path.open('rb') as file:
         chunk = 0
         while chunk != b'':
             # read 32768 bytes at a time
@@ -72,50 +73,66 @@ def hash_file(filename):
     return h.hexdigest()
 
 
-class PlotModel():
-    """ Geometry and plot settings for OpenMC Plot Explorer model
+def hash_model(model_path):
+    """Get hash values for materials.xml and geometry.xml (or model.xml)"""
+    if model_path.is_file():
+        mat_xml_hash = hash_file(model_path)
+        geom_xml_hash = ""
+    elif (model_path / 'model.xml').exists():
+        mat_xml_hash = hash_file(model_path / 'model.xml')
+        geom_xml_hash = ""
+    else:
+        mat_xml_hash = hash_file(model_path / 'materials.xml')
+        geom_xml_hash = hash_file(model_path / 'geometry.xml')
+    return mat_xml_hash, geom_xml_hash
 
-        Parameters
-        ----------
-        use_settings_pkl : bool
-            If True, use plot_settings.pkl file to reload settings
 
-        Attributes
-        ----------
-        geom : openmc.Geometry instance
-            OpenMC Geometry of the model
-        modelCells : collections.OrderedDict
-            Dictionary mapping cell IDs to openmc.Cell instances
-        modelMaterials : collections.OrderedDict
-            Dictionary mapping material IDs to openmc.Material instances
-        ids : NumPy int array (v_res, h_res, 1)
-            Mapping of plot coordinates to cell/material ID by pixel
-        ids_map : NumPy int32 array (v_res, h_res, 3)
-            Mapping of cell and material ids
-        properties : Numpy float array (v_res, h_res, 3)
-            Mapping of cell temperatures and material densities
-        image : NumPy int array (v_res, h_res, 3)
-            The current RGB image data
-        statepoint : StatePointModel
-            Simulation data model used to display tally results
-        applied_filters : tuple of ints
-            IDs of the applied filters for the displayed tally
-        previousViews : list of PlotView instances
-            List of previously created plot view settings used to undo
-            changes made in plot explorer
-        subsequentViews : list of PlotView instances
-            List of undone plot view settings used to redo changes made
-            in plot explorer
-        defaultView : PlotView instance
-            Default settings for given geometry
-        currentView : PlotView instance
-            Currently displayed plot settings in plot explorer
-        activeView : PlotView instance
-            Active state of settings in plot explorer, which may or may not
-            have unapplied changes
+class PlotModel:
+    """Geometry and plot settings for OpenMC Plot Explorer model
+
+    Parameters
+    ----------
+    use_settings_pkl : bool
+        If True, use plot_settings.pkl file to reload settings
+    model_path : pathlib.Path
+        Path to model XML file or directory
+
+    Attributes
+    ----------
+    geom : openmc.Geometry
+        OpenMC Geometry of the model
+    modelCells : collections.OrderedDict
+        Dictionary mapping cell IDs to openmc.Cell instances
+    modelMaterials : collections.OrderedDict
+        Dictionary mapping material IDs to openmc.Material instances
+    ids : NumPy int array (v_res, h_res, 1)
+        Mapping of plot coordinates to cell/material ID by pixel
+    ids_map : NumPy int32 array (v_res, h_res, 3)
+        Mapping of cell and material ids
+    properties : Numpy float array (v_res, h_res, 3)
+        Mapping of cell temperatures and material densities
+    image : NumPy int array (v_res, h_res, 3)
+        The current RGB image data
+    statepoint : StatePointModel
+        Simulation data model used to display tally results
+    applied_filters : tuple of ints
+        IDs of the applied filters for the displayed tally
+    previousViews : list of PlotView instances
+        List of previously created plot view settings used to undo
+        changes made in plot explorer
+    subsequentViews : list of PlotView instances
+        List of undone plot view settings used to redo changes made
+        in plot explorer
+    defaultView : PlotView
+        Default settings for given geometry
+    currentView : PlotView
+        Currently displayed plot settings in plot explorer
+    activeView : PlotView
+        Active state of settings in plot explorer, which may or may not
+        have unapplied changes
     """
 
-    def __init__(self, use_settings_pkl):
+    def __init__(self, use_settings_pkl, model_path):
         """ Initialize PlotModel class attributes """
 
         # Retrieve OpenMC Cells/Materials
@@ -147,8 +164,13 @@ def __init__(self, use_settings_pkl):
 
         self.defaultView = self.getDefaultView()
 
-        if use_settings_pkl and os.path.isfile('plot_settings.pkl'):
-            with open('plot_settings.pkl', 'rb') as file:
+        if model_path.is_file():
+            settings_pkl = model_path.with_name('plot_settings.pkl')
+        else:
+            settings_pkl = model_path / 'plot_settings.pkl'
+
+        if use_settings_pkl and settings_pkl.is_file():
+            with settings_pkl.open('rb') as file:
                 try:
                     data = pickle.load(file)
                 except AttributeError:
@@ -176,8 +198,7 @@ def __init__(self, use_settings_pkl):
 
                         # get materials.xml and geometry.xml hashes to
                         # restore additional settings if possible
-                        mat_xml_hash = hash_file('materials.xml')
-                        geom_xml_hash = hash_file('geometry.xml')
+                        mat_xml_hash, geom_xml_hash = hash_model(model_path)
                         if mat_xml_hash == data['mat_xml_hash'] and \
                             geom_xml_hash == data['geom_xml_hash']:
                             restore_domains = True
@@ -1071,8 +1092,8 @@ def adopt_plotbase(self, view):
         self.basis = view.basis
 
 
-class DomainView():
-    """ Represents view settings for OpenMC cell or material.
+class DomainView:
+    """Represents view settings for OpenMC cell or material.
 
     Parameters
     ----------

openmc_plotter/tools.py

@@ -1,13 +1,13 @@
 import copy
-from time import sleep
 
 import numpy as np
 import openmc
-from PySide2 import QtCore, QtGui, QtWidgets
+from PySide2 import QtCore, QtWidgets
 
 from .custom_widgets import HorizontalLine
 from .scientific_spin_box import ScientificDoubleSpinBox
 
+
 class ExportDataDialog(QtWidgets.QDialog):
     """
     A dialog to facilitate generation of VTK files for