mcgui: template folder handling, monkey-test crash fixes, app icon; mcplot/mcdisplay fixes

mcstas-comps/contrib/SpinWave_BCO.comp

@@ -67,6 +67,7 @@
 * V_my_s: [m^-1]      Attenuation factor due to incoherent scattering
 * V_my_a_v: [m^-1]    Attenuation factor due to absorbtion
 *
+* %E
 ******************************************************************************/
 
 DEFINE COMPONENT SpinWave_BCO

mcstas-comps/misc/Cone.comp

@@ -13,6 +13,7 @@
 * Origin: ILL
 * Modified by: E. Farhi, based on Incoherent
 *
+* %D
 * An inactive geometrical shape (cone), for drawing purposes only.
 * Derived from the <b><a href="Shape.html">Shape</a></b> component
 *

mcstas-comps/union/Union_NCrystal_material.comp

@@ -54,6 +54,7 @@
 * interact_fraction:      [1]      Fraction of scattering events assigned to this process 0-1 (default -1 lets Union assign it).
 * include_SLD:            [0/1]    Include the scattering length density calculated from cfg in the material refraction information.
 * init:              [string]    Deprecated and unused. Accepted so that instruments written for McStas/McXtrace 3.8.7 and earlier, which name the Union_init component here, still compile.
+* %E
  *******************************************************************************/
 
 /******************************************************************************/

mcxtrace-comps/misc/Cone.comp

@@ -13,6 +13,7 @@
 * Origin: ILL
 * Modified by: E. Farhi, based on Incoherent
 *
+* %D
 * An inactive geometrical shape (cone), for drawing purposes only.
 * Derived from the <b><a href="Shape.html">Shape</a></b> component
 *

tools/Python/mccodelib/pqtgfrontend.py

@@ -373,7 +373,8 @@ def click_handler(event):
                 posScene = event.scenePos()
                 plotIdx  = self.get_plot_index(posScene)
                 posItem  = event.pos()
-            except AttributeError:
+            except (AttributeError, RuntimeError):
+                # RuntimeError: the clicked item was deleted by a replot before this click was delivered
                 return
 
             if 0 <= plotIdx < len(node_list):

tools/Python/mccodelib/utils.py

@@ -1037,7 +1037,12 @@ def dumpfile_pqtg(scene, filenamebase='mcplot', format='png'):
         exporter.export(outputfile)
     elif format=='svg':
         exporter = pg.exporters.SVGExporter(scene)
-        exporter.export(outputfile)
+        try:
+            exporter.export(outputfile)
+        except ValueError as e:
+            # pyqtgraph 0.14.0 cannot parse the SVG path syntax written by Qt 6.11
+            print('SVG export failed in pyqtgraph (%s), use PNG export instead' % e)
+            return
         # This is where PDF export would be handled via conversion from SVG
         #    elif format=='pdf':
         #        exporter = pg.exporters.SVGExporter(scene)

tools/Python/mcdisplay/matplotlib/mcdisplay.py

@@ -76,10 +76,10 @@ def dumpfile(frmat, filename = None):
     # Check for existance of earlier exports
     if os.path.isfile(saveto):
         index=1
-        saveto = f"{basename}_{index}{frmat}"
+        saveto = f"{basename}_{index}{ext}"
         while os.path.isfile(saveto):
             index += 1
-            saveto = f"{basename}_{index}{frmat}"
+            saveto = f"{basename}_{index}{ext}"
 
     savefig(saveto)
     print("Saved " + saveto)

tools/Python/mcgui/mcgui.py

@@ -226,6 +226,10 @@ def canPlot(self):
 
     __thread_exc_signal = QtCore.Signal(str)
     def compile(self, mpi=True):
+        # replacing a running QThread aborts the application
+        if getattr(self, 'compilethread', None) is not None and self.compilethread.isRunning():
+            self.__emitter.status('Compile already in progress')
+            return
         # using Qt in-built cross-thread signaling
         self.__thread_exc_signal.connect(handleExceptionMsg)
 
@@ -616,7 +620,7 @@ def initDynamicView(self):
     def handleRunOrInterruptSim(self):
         if self.state.isSimRunning():
             self.state.interrupt()
-        else:
+        elif self.state.canRun():
             # ensure auto-save
             self.view.ew.save()
 
@@ -639,6 +643,7 @@ def msg(msg, em=self.emitter):
                     em.message(msg)
                 handler = ThreadInfoHandler(lambda msg, em=self.emitter: em.message(msg))
 
+                instr = self.state.getInstrumentFile()
                 somethread = McRunQThread()
                 somethread.cmd = mccode_config.configuration["MCRUN"] + ' ' + os.path.basename(self.state.getInstrumentFile()) + " --info"
                 somethread.cwd = os.path.dirname(self.state.getInstrumentFile())
@@ -652,6 +657,11 @@ def msg(msg, em=self.emitter):
                     time.sleep(0.2)
                     QtWidgets.QApplication.processEvents()
 
+                # The GUI stays live during --info; the user may have closed or switched instrument
+                if self.state.getInstrumentFile() != instr:
+                    self.emitter.status("Instrument changed while getting parameters, run cancelled")
+                    return
+
                 params = []
                 for l in handler.stdout_lst:
                     if 'Param:' in l:
@@ -891,11 +901,12 @@ def displayNotSavedWhitespaceError(self, can_throw_func, raise_err=False):
 
     def handleSaveAs(self):
         oldinstr = self.state.getInstrumentFile()
-        if oldinstr != '':
-            newinstr = self.view.showSaveAsDialog(oldinstr)
-            if self.displayNotSavedWhitespaceError(lambda: self.state.checkInstrFileCandidate(newinstr))==False:
-                return
-
+        if oldinstr == '':
+            return
+        newinstr = self.view.showSaveAsDialog(oldinstr)
+        if self.displayNotSavedWhitespaceError(lambda: self.state.checkInstrFileCandidate(newinstr))==False:
+            return
+
         if newinstr != '':
             self.state.unloadInstrument()
             text = get_file_contents(oldinstr)
@@ -930,29 +941,39 @@ def handleNewFromTemplate(self, instr_templ=''):
             wd = pathlib.PurePath(self.state.getWorkDir())
             if wd.stem==instrbase.stem:
                 self.state.setWorkDir("..")
-        new_instr_req = self.view.showNewInstrFromTemplateDialog(os.path.join(self.state.getWorkDir(), os.path.basename(os.path.dirname(str(instr_templ)))))
-        if self.displayNotSavedWhitespaceError(lambda: self.state.checkInstrFileCandidate(new_instr_req))==False:
+        # Templates are copied including their containing folder, into a user-selected parent folder
+        srcdir = pathlib.Path(str(instr_templ)).parent
+        parent = self.view.showNewInstrFromTemplateDialog(self.state.getWorkDir())
+        if not parent:
+            return
+        parent = pathlib.Path(parent)
+        # User may have selected the template-named folder itself
+        trgdir = parent if parent.name == srcdir.name else parent / srcdir.name
+        new_instr = str(trgdir / pathlib.Path(str(instr_templ)).name)
+        if self.displayNotSavedWhitespaceError(lambda: self.state.checkInstrFileCandidate(new_instr))==False:
             return
-
-        if new_instr_req != '':
-            if self.view.closeCodeEditorWindow():
-                text = get_file_contents(instr_templ)
-                self.state.unloadInstrument()
-                # Templates are now copied including their containing folder
-                srcdir = os.path.dirname(str(instr_templ))
-                trgdir = pathlib.Path(new_instr_req)
-                # Case 1: destination folder already exists, "merge":
-                if pathlib.Path.exists(trgdir):
-                    files=os.listdir(srcdir)
-                    for fname in files:
-                        shutil.copy2(os.path.join(srcdir,fname), trgdir)
-                else:
-                    # Case 2: create a new folder:
-                    shutil.copytree(srcdir,trgdir)
 
-                new_instr = os.path.join(trgdir, os.path.basename(str(instr_templ)))
-                self.state.loadInstrument(new_instr)
-                self.emitter.status("Instrument created: " + os.path.basename(str(new_instr)))
+        choice = 'copy'
+        if trgdir.exists():
+            n = 2
+            while (trgdir.parent / (srcdir.name + '_' + str(n))).exists():
+                n += 1
+            newdir = trgdir.parent / (srcdir.name + '_' + str(n))
+            choice = self.view.askTemplateDirExists(trgdir, newdir)
+            if choice is None:
+                return
+            if choice == 'new':
+                trgdir = newdir
+                new_instr = str(trgdir / pathlib.Path(str(instr_templ)).name)
+
+        if self.view.closeCodeEditorWindow():
+            self.state.unloadInstrument()
+            if choice == 'replace':
+                shutil.copytree(srcdir, trgdir, dirs_exist_ok=True)
+            elif choice != 'open':
+                shutil.copytree(srcdir, trgdir)
+            self.state.loadInstrument(new_instr)
+            self.emitter.status("Instrument created: " + os.path.basename(new_instr))
 
     def handleOpenInstrument(self):
         instr = self.view.showOpenInstrumentDlg(self.state.getWorkDir())
@@ -1002,7 +1023,7 @@ def handleEnvironment(self):
     def handleDefault(self):
         reply = QtWidgets.QMessageBox.question(self.view.mw,
                                            'Define system default?',
-                                           'Do you want to make the current ' +  mccode_config.configuration["MCCODE"] + ' the system default?'),
+                                           'Do you want to make the current ' +  mccode_config.configuration["MCCODE"] + ' the system default?')
 
         if reply == QtWidgets.QMessageBox.Yes:
              subprocess.Popen(mccode_config.configuration["MCCODE"] +'-postinst set_mccode_default', shell=True)
@@ -1090,6 +1111,8 @@ def main():
         mccode_config.check_env_vars()
 
         mcguiApp = QtWidgets.QApplication(sys.argv)
+        # Window/taskbar icon, and the Dock icon on macOS. ponytail: 115px logo, ship a 256px+ PNG if it looks soft
+        mcguiApp.setWindowIcon(QtGui.QIcon(os.path.join(os.path.dirname(os.path.abspath(__file__)), mccode_config.configuration["MCCODE"] + '-py.png')))
         mcguiApp.ctr = McGuiAppController()
         font = QFont()
         font.setFixedPitch(True)

tools/Python/mcgui/viewclasses.py

@@ -191,9 +191,19 @@ def showNewInstrDialog(self, lookdir):
         dlg.setNameFilter(mccode_config.configuration["MCCODE"]+" instruments (*.instr)");
         return dlg.getSaveFileName(parent=None, caption='Create Instrument file...')[0]
 
-    def showNewInstrFromTemplateDialog(self, instr):
-        dlg = QtWidgets.QFileDialog()
-        return dlg.getSaveFileName(parent=None, caption='Create Instrument file from Template...', directory=instr)[0]
+    def showNewInstrFromTemplateDialog(self, workdir):
+        return QtWidgets.QFileDialog.getExistingDirectory(self.mw, 'Copy template into folder...', workdir)
+
+    def askTemplateDirExists(self, trgdir, newdir):
+        box = QtWidgets.QMessageBox(QtWidgets.QMessageBox.Question, 'Folder exists',
+                                    str(trgdir) + ' already exists.', parent=self.mw)
+        open_btn = box.addButton('Open existing', QtWidgets.QMessageBox.AcceptRole)
+        new_btn = box.addButton('New copy (' + newdir.name + ')', QtWidgets.QMessageBox.AcceptRole)
+        repl_btn = box.addButton('Replace with template', QtWidgets.QMessageBox.DestructiveRole)
+        box.addButton(QtWidgets.QMessageBox.Cancel)
+        box.setDefaultButton(new_btn)
+        box.exec()
+        return {open_btn: 'open', new_btn: 'new', repl_btn: 'replace'}.get(box.clickedButton())
 
     def showSaveAsDialog(self, instr):
         dlg = QtWidgets.QFileDialog()
@@ -458,7 +468,11 @@ def closeEvent(self, event):
 
     def __handleComponentClicked(self, comp_parser):
         dlg = McInsertComponentDialog()
-        dlg.initComponentData(comp_parser)
+        try:
+            dlg.initComponentData(comp_parser)
+        except Exception as e:
+            QtWidgets.QMessageBox.critical(self, 'Could not read component', str(comp_parser.file) + ':\n' + str(e))
+            return
         if dlg.exec():
             comp_type, inst_name, params, atrel = dlg.getValues()
         else:
@@ -662,6 +676,17 @@ def __init__(self, parent=None):
         self._set_inspect_visible(False)
         self.ui.cbxSimTrace.currentIndexChanged.connect(lambda i: self._set_inspect_visible(i))
 
+    def accept(self):
+        try:
+            float(self.ui.edtNeutronCnt.text())
+            if self.ui.edtRandomSeed.text():
+                int(self.ui.edtRandomSeed.text())
+        except ValueError:
+            QtWidgets.QMessageBox.warning(self, 'Invalid value',
+                'The ray count must be a number (e.g. 1e6) and the random seed a whole number.')
+            return
+        super(McStartSimDialog, self).accept()
+
     def _setupAdvancedCollapse(self):
         ''' replace the static "Advanced" group box with a roll-up section:
             a QToolButton with arrow toggles gbxAdvanced visibility '''
@@ -847,7 +872,7 @@ def getValues(self):
         inspect = None
         idx = self.ui.cbxInspect.currentIndex()
         if idx > 0:
-            inspect = self._last_inspect_compnames[idx]
+            inspect = self._last_inspect_compnames[idx-1]
 
         mcdisplay = None
         idx = self.ui.cbxMcdisplays.currentIndex()
@@ -1298,9 +1323,12 @@ def __pullValuesTo_mccode_config(self):
         mccode_config.compilation[str(self.ui.edtMpicc.conf_var)] = str(self.ui.edtMpicc.text())
         mccode_config.compilation[str(self.ui.edtMPIrun.conf_var)] = str(self.ui.edtMPIrun.text())
         mccode_config.compilation[str(self.ui.edtNumNodes.conf_var)] = str(self.ui.edtNumNodes.text())
-        mccode_config.configuration[str(self.ui.edtNumCols.conf_var)] = str(self.ui.edtNumCols.text())
+        # GUICOLS and GUIFONTSIZE are parsed with int(): keep the old value unless a positive integer is given
+        if self.ui.edtNumCols.text().isdigit() and int(self.ui.edtNumCols.text()) > 0:
+            mccode_config.configuration[str(self.ui.edtNumCols.conf_var)] = str(self.ui.edtNumCols.text())
         mccode_config.configuration[str(self.ui.edtNDbufsiz.conf_var)] = str(self.ui.edtNDbufsiz.text())
-        mccode_config.configuration[str(self.ui.edtFontSize.conf_var)] = str(self.ui.edtFontSize.text())
+        if self.ui.edtFontSize.text().isdigit() and int(self.ui.edtFontSize.text()) > 0:
+            mccode_config.configuration[str(self.ui.edtFontSize.conf_var)] = str(self.ui.edtFontSize.text())
         mccode_config.configuration[str(self.ui.editor.conf_var)] = str(self.ui.editor.text())
         # Export selected variables to the system / mcrun
         target_mccode=mccode_config.configuration["MCCODE"].upper()

tools/Python/mcplot/matplotlib/plotfuncs.py

@@ -492,18 +492,19 @@ def dumpfile(frmat, filename = None):
     # Check for existance of earlier exports
     if os.path.isfile(saveto):
         index=1
-        saveto = f"{basename}_{index}{frmat}"
+        saveto = f"{basename}_{index}{ext}"
         while os.path.isfile(saveto):
             index += 1
-            saveto = f"{basename}_{index}{frmat}"
+            saveto = f"{basename}_{index}{ext}"
 
     savefig(saveto)
     print("Saved " + saveto)
 
 
 def click(event, subplts, click_cbs, ctrl_cbs, back_cb, dc_cb):
     subplt = event.inaxes
-    if not subplt:
+    # also ignore axes that are not panels, e.g. a 2D plot's colorbar
+    if not subplt or subplt not in subplts:
         return False
     else:
         # Don't treat a click that landed on the panel's own legend as a