Merge pull request #393 from neutrons/multi_gr_out

Multi gr out

README.md

@@ -116,7 +116,7 @@ ImportError: First import of "._api" failed with "libGL.so.1: cannot open shared
 The test suite can be run using [pytest](https://docs.pytest.org/en/latest/)
 with the [pytest-qt](https://pytest-qt.readthedocs.io/en/latest/) plugin.
 ```bash
-$ pytest tests
+$ python -m pytest
 ```
 
 ### Developing using a local Mantid install

addie/calculate_gr/event_handler.py

@@ -150,20 +150,26 @@ def generate_gr_step1(main_window):
     :return:
     """
     # get S(Q) workspace
-    comboBox_SofQ = main_window.calculategr_ui.comboBox_SofQ
-    selected_sq = str(comboBox_SofQ.currentText())
-    if selected_sq == 'All':
-        sq_ws_name_list = list()
-        for index in range(comboBox_SofQ.count()):
-            item = str(comboBox_SofQ.itemText(index))
-            if item != 'All':
-                # add S(Q) name unless it is 'All'
-                sq_ws_name_list.append(item)
-            # END-IF
-        # END-FOR
+    gr_list = main_window.calculategr_ui.treeWidget_grWsList
+    sq_name_list = gr_list.get_selected_items_of_level(
+        2, excluded_parent='GofR', return_item_text=True)
+    if len(sq_name_list) == 0:
+        comboBox_SofQ = main_window.calculategr_ui.comboBox_SofQ
+        selected_sq = str(comboBox_SofQ.currentText())
+        if selected_sq == 'All':
+            sq_ws_name_list = list()
+            for index in range(comboBox_SofQ.count()):
+                item = str(comboBox_SofQ.itemText(index))
+                if item != 'All':
+                    # add S(Q) name unless it is 'All'
+                    sq_ws_name_list.append(item)
+                # END-IF
+            # END-FOR
+        else:
+            # selected S(Q) is a single S(Q) name
+            sq_ws_name_list = [selected_sq]
     else:
-        # selected S(Q) is a single S(Q) name
-        sq_ws_name_list = [selected_sq]
+        sq_ws_name_list = sq_name_list
 
     # generate G(r)
     generate_gr_step2(main_window,
@@ -480,37 +486,79 @@ def do_save_gr(main_window):
     gr_list = main_window.calculategr_ui.treeWidget_grWsList
     gr_name_list = gr_list.get_selected_items_of_level(
         2, excluded_parent='SofQ', return_item_text=True)
+    single_out = True
     if len(gr_name_list) != 1:
-        err_msg = 'ERROR: Only 1 workspace of G(r) can be selected.'
-        err_msg += '{0} are selected.\n Selection: {1}'
-        err_msg = err_msg.format(len(gr_name_list), str(gr_name_list))
-        QMessageBox.warning(main_window, 'Error', err_msg)
-        return
+        if len(gr_name_list) == 0:
+            err_msg = 'ERROR: Only 1 workspace of G(r) can be selected.'
+            err_msg += '{0} are selected.\n Selection: {1}'
+            err_msg = err_msg.format(len(gr_name_list), str(gr_name_list))
+            QMessageBox.warning(main_window, 'Error', err_msg)
+            return
+        else:
+            single_out = False
     else:
         gr_ws_name = gr_name_list[0]
 
     # pop-up a dialog for the file to save
     default_dir = os.getcwd()
     caption = 'Save G(r)'
 
-    FILE_FILTERS = {'PDFgui (*.gr)': 'gr',
-                    'XYE (*.xye)': 'xye',
-                    'CSV XYE (*.csv)': 'csv',
-                    'RMCProfile (*.dat)': 'dat'}
-
-    filename, filetype = get_save_file(
-        parent=main_window,
-        directory=default_dir,
-        caption=caption,
-        filter=FILE_FILTERS)
-    if not filename:  # user pressed cancel
-        return
+    if single_out:
+        FILE_FILTERS = {'PDFgui (*.gr)': 'gr',
+                        'XYE (*.xye)': 'xye',
+                        'CSV XYE (*.csv)': 'csv',
+                        'RMCProfile (*.dat)': 'dat'}
 
-    if filetype == 'dat':
-        filetype = 'rmcprofile'
+        filename, filetype = get_save_file(
+            parent=main_window,
+            directory=default_dir,
+            caption=caption,
+            filter=FILE_FILTERS)
+        if not filename:  # user pressed cancel
+            return
+
+        if filetype == 'dat':
+            filetype = 'rmcprofile'
 
-    # save!
-    main_window._myController.save_ascii(gr_ws_name, filename, filetype)
+        # save!
+        main_window._myController.save_ascii(gr_ws_name, filename, filetype)
+        main_window.ui.statusbar.setStyleSheet("color: blue")
+        main_window.ui.statusbar.showMessage("File successfully saved.",
+                                             main_window.statusbar_display_time)
+    else:
+        options = QFileDialog.Options()
+        options |= QFileDialog.ShowDirsOnly
+        out_dir = QFileDialog.getExistingDirectory(main_window, caption,
+                                                   default_dir, options=options)
+
+        ext_dict = {
+            "xye": "xye",
+            "gr": "gr",
+            "csv": "csv",
+            "rmcprofile": "dat",
+            "dat": "dat"
+        }
+        if "xye" in out_dir.lower():
+            filetype = "xye"
+        elif "gr" in out_dir.lower():
+            filetype = "gr"
+        elif "csv" in out_dir.lower():
+            filetype = "csv"
+        elif "rmc" in out_dir.lower():
+            filetype = "rmcprofile"
+        elif "dat" in out_dir.lower():
+            filetype = "dat"
+        else:
+            filetype  = "gr"
+
+        for item in gr_name_list:
+            gr_ws_name = item
+            filename = gr_ws_name + "." + ext_dict[filetype]
+            filename = os.path.join(out_dir, filename)
+            main_window._myController.save_ascii(gr_ws_name, filename, filetype)
+        main_window.ui.statusbar.setStyleSheet("color: blue")
+        main_window.ui.statusbar.showMessage("Files successfully saved.",
+                                             main_window.statusbar_display_time)
 
 
 def do_save_sq(main_window):

addie/calculate_gr/gofrtree.py

@@ -235,8 +235,11 @@ def do_delete_selected_items(self):
             if curr_level == -1:
                 curr_level = temp_level
             elif curr_level != temp_level:
-                raise RuntimeError(
-                    'Nodes of different levels are selected. It is not supported for deletion.')
+                err_msg = "Nodes of different levels are selected."
+                self.parent.ui.statusbar.setStyleSheet("color: red")
+                self.parent.ui.statusbar.showMessage(err_msg,
+                                                     self.parent.statusbar_display_time)
+                return
 
         # get item and delete
         if curr_level == 0:
@@ -316,6 +319,8 @@ def _delete_ws_node(self, ws_item, is_gr, check_gr_sq):
             print('Unable to remove %s from canvas due to %s.' %
                   (leaf_node_name, str(ass_err)))
         # delete node
+        item_tmp = self.parent.calculategr_ui.comboBox_SofQ.findText(ws_item.text())
+        self.parent.calculategr_ui.comboBox_SofQ.removeItem(item_tmp)
         self.delete_node(ws_item)
 
     def do_plot(self):