compatibility update after rebase

Author: klytje

src/sas/qtgui/Calculators/Shape2SAS/Constraints.py

@@ -1,6 +1,8 @@
 #Global
 import ast
 import importlib.util
+import logging
+import traceback
 
 from PySide6.QtCore import Qt
 from PySide6.QtWidgets import QPushButton, QWidget

src/sas/qtgui/Calculators/Shape2SAS/DesignWindow.py

@@ -15,17 +15,6 @@
     QWidget,
 )
 
-from sas.qtgui.Calculators.Shape2SAS.ButtonOptions import ButtonOptions
-from sas.qtgui.Calculators.Shape2SAS.Constraints import Constraints, logger
-from sas.qtgui.Calculators.Shape2SAS.genPlugin import generatePlugin
-from sas.qtgui.Calculators.Shape2SAS.PlotAspects.plotAspects import Canvas, ViewerPlotDesign
-from sas.qtgui.Calculators.Shape2SAS.Tables.subunitTable import OptionLayout, SubunitTable
-from sas.qtgui.Calculators.Shape2SAS.UI.DesignWindowUI import Ui_Shape2SAS
-from sas.qtgui.Calculators.Shape2SAS.ViewerModel import ViewerModel
-from sas.qtgui.Perspectives.perspective import Perspective
-from sas.qtgui.Plotting.PlotterData import Data1D
-from sas.qtgui.Utilities.GuiUtils import createModelItemWithPlot
-
 # Local SasView
 from sas.qtgui.Utilities.ModelEditors.TabbedEditor.TabbedModelEditor import TabbedModelEditor
 from sas.qtgui.Perspectives.perspective import Perspective
@@ -39,10 +28,10 @@
 from sas.qtgui.Calculators.Shape2SAS.Constraints import Constraints, logger
 from sas.qtgui.Calculators.Shape2SAS.PlotAspects.plotAspects import Canvas
 
-from sas.sascalc.shape2sas.Shape2SAS import (getTheoreticalScattering, getPointDistribution, getSimulatedScattering,
-                                                                     ModelProfile, ModelSystem, SimulationParameters, 
-                                                                     Qsampling, TheoreticalScatteringCalculation, 
-                                                                     SimulateScattering)
+from sas.sascalc.shape2sas.Shape2SAS import (
+    getTheoreticalScattering, getPointDistribution, getSimulatedScattering,
+    ModelProfile, ModelSystem, SimulationParameters, Qsampling, TheoreticalScatteringCalculation, SimulateScattering
+)
 from sas.qtgui.Calculators.Shape2SAS.PlotAspects.plotAspects import ViewerPlotDesign
 from sas.sascalc.shape2sas.PluginGenerator import generate_plugin
 

src/sas/qtgui/Perspectives/Fitting/FittingWidget.py

@@ -38,7 +38,7 @@
 from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
 from sas.sascalc.fit import models
 from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
-from sas.system.user import HELP_DIRECTORY_LOCATION
+from sas.system.user import HELP_DIRECTORY_LOCATION, get_plugin_dir
 
 TAB_MAGNETISM = 4
 TAB_POLY = 3
@@ -2376,7 +2376,7 @@ def fromModelToQModel(self, model_name: str) -> None:
         kernel_module = None
         if self.cbCategory.currentText() == CATEGORY_CUSTOM:
             # custom kernel load requires full path
-            name = os.path.join(models.find_plugins_dir(), model_name+".py")
+            name = os.path.join(get_plugin_dir(), model_name+".py")
         try:
             kernel_module = generate.load_kernel_module(name)
         except ModuleNotFoundError:

src/sas/sascalc/shape2sas/PluginGenerator.py

@@ -1,9 +1,9 @@
 from pathlib import Path
 import logging
 
-from sas.sascalc.fit import models
 from sas.sascalc.shape2sas.Shape2SAS import ModelProfile
 from sas.sascalc.shape2sas.UserText import UserText
+from sas.system.user import get_plugin_dir
 
 def generate_plugin(
     prof: ModelProfile, 
@@ -16,7 +16,7 @@ def generate_plugin(
 ) -> tuple[str, Path]:
     """Generates a theoretical scattering plugin model"""
 
-    plugin_location = Path(models.find_plugins_dir())
+    plugin_location = Path(get_plugin_dir())
     full_path = plugin_location.joinpath(file_name).with_suffix('.py')
     logging.info(f"Plugin model will be saved to: {full_path}")
 

src/sas/sascalc/shape2sas/Shape2SAS.py

@@ -1,6 +1,8 @@
 import argparse
 import re
 import numpy as np
+import warnings
+import time
 
 from sas.sascalc.shape2sas.StructureFactor import StructureFactor
 from sas.sascalc.shape2sas.TheoreticalScattering import *

src/sas/sascalc/shape2sas/TheoreticalScattering.py

@@ -296,22 +296,9 @@ def getTheoreticalScattering(scalc: TheoreticalScatteringCalculation) -> Theoret
     I_theory = ITheoretical(q)
 
     if use_ausaxs:
-        # import time
-        # t_start = time.time()
         I0 = np.square(np.sum(p)) * sys.conc * prof.volume_total
         Pq = I_theory.calc_Pq_ausaxs(q, x, y, z, p)/I0
         I0 = 1
-        print(f"AUSAXS I0: {I0}")
-        print(f"AUSAXS P: {Pq[0]}, {Pq[1]}, {Pq[2]}, {Pq[3]}, {Pq[4]}")
-        # t_end_ausaxs = time.time()
-
-        # r, pr, _ = WeightedPairDistribution(x, y, z, p).calc_pr(calc.prpoints, sys.polydispersity)
-        # I0, Pq = I_theory.calc_Pq(r, pr, sys.conc, prof.volume_total)
-        # t_end_shape2sas = time.time()
-        # print(f"Shape2SAS I0: {I0}")
-        # print(f"Shape2SAS P: {Pq[0]}, {Pq[1]}, {Pq[2]}, {Pq[3]}, {Pq[4]}")
-        # print(f"AUSAXS time: {(t_end_ausaxs - t_start)*1000:.2f} ms")
-        # print(f"Shape2SAS time: {(t_end_shape2sas - t_start)*1000:.2f} ms")
 
     else: 
         r, pr, _ = WeightedPairDistribution(x, y, z, p).calc_pr(calc.prpoints, sys.polydispersity)