fixed 57

sissaschool · Feb 23, 2022 · 122468f · 122468f
1 parent d40c0c1
commit 122468f
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Showing 4 changed files with 47 additions and 29 deletions.
diff --git a/examples/example_cepstrum_doublecomp_NaCl.ipynb b/examples/example_cepstrum_doublecomp_NaCl.ipynb
@@ -9463,7 +9463,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3 (ipykernel)",
+   "display_name": "Python 3",
    "language": "python",
    "name": "python3"
   },
@@ -9477,7 +9477,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.10"
+   "version": "3.8.5"
   },
   "widgets": {
    "state": {},

diff --git a/sportran_gui/assets/languages.json b/sportran_gui/assets/languages.json
@@ -93,6 +93,8 @@
     "fw_low": "Filter width can't be less than 0",
     "fw_void": "Filter width can't be void",
     "automatic_T": "The temperature will be automatically calculated",
+    "automatic_V": "The volume will be automatically calculated",
+    "automatic_DT": "The DT_FS will be automatically calculated",
     "back_reset": "Go back?",
     "back_reset_t": "Save changes?\nIf reopen the same file\nthe values that you chosed will not be deleted!",
     "fs_loaded": "F* loaded from input file ({})",
@@ -191,6 +193,8 @@
     "fw_low": "La larghezza del filtro non può essere negativa",
     "fw_void": "Il campo \"larghezza del filtro\" non può essere vuoto",
     "automatic_T": "La temperatura verrà calcolata automaticamente",
+    "automatic_V": "Il volume verrà calcolato automaticamente",
+    "automatic_DT": "Il timestep verrà calcolato automaticamente",
     "back_reset": "Andare indietro?",
     "back_reset_t": "Salvo le modifiche?\nSe si riapre lo stesso file\ni valori scelti non saranno cancellati!",
     "fs_loaded": "F* caricato dal file di input ({})"

diff --git a/sportran_gui/interfaces/headerSelector.py b/sportran_gui/interfaces/headerSelector.py
@@ -97,8 +97,8 @@ def next(self):
         if cu.Data.options[1] in description:   #energy current
             if description.count(cu.Data.options[1]) == 1:
                 if description.count(cu.Data.options[3]) <= 1:   #temperature
-                    if description.count(cu.Data.options[4]) <= 1:
-                        if description.count(cu.Data.options[5]) <= 1:
+                    if description.count(cu.Data.options[4]) <= 1:   #volume
+                        if description.count(cu.Data.options[5]) <= 1:   #DT
                             cu.data.keys = keys
                             cu.data.description = description
                             cu.Data.loaded = True

diff --git a/sportran_gui/interfaces/otherVariables.py b/sportran_gui/interfaces/otherVariables.py
@@ -167,31 +167,45 @@ def update(self):
         self.DT_FS_entry.config(state=NORMAL)
         self.volume_entry.config(state=NORMAL)
 
-        if cu.data.inputformat == 'dict':
-            if True:   #not cu.Data.loaded:
-                if cu.Data.options[3] in cu.data.description:
-                    self.temp_advertise.config(text=LANGUAGES[settings.LANGUAGE]['automatic_T'], fg='red')
-                    temp = cu.data.jdata[cu.data.keys[cu.data.description.index(cu.Data.options[3])]]
-                    if type(temp) == float:
-                        cu.data.temperature = temp
-                    else:
-                        cu.data.temperature = temp.mean()
-                        cu.data.temperature_std = temp.std()
-                    self.temperature_entry.config(state=DISABLED)
-                if cu.Data.options[4] in cu.data.description:
-                    self.volume_advertise.config(text='The volume will be automatically calculated', fg='red')
-                    vol = cu.data.jdata[cu.data.keys[cu.data.description.index(cu.Data.options[4])]]
-                    if type(vol) == float:
-                        cu.data.volume = vol
-                    else:
-                        cu.data.volume = vol.mean()
-                    self.volume_entry.config(state=DISABLED)
-                if cu.Data.options[5] in cu.data.description:
-                    self.DT_FS_advertise.config(text='The DT_FS will be automatically calculated', fg='red')
-                    cu.data.DT_FS = cu.data.jdata[cu.data.keys[cu.data.description.index(cu.Data.options[5])]]
-                    self.DT_FS_entry.config(state=DISABLED)
-
-            self.update_data()
+        if cu.Data.options[3] in cu.data.description:
+            self.temp_advertise.config(text=LANGUAGES[settings.LANGUAGE]['automatic_T'], fg='red')
+            if cu.data.inputformat == 'dict':   #only for dict I have the data here
+                temp = cu.data.jdata[cu.data.keys[cu.data.description.index(cu.Data.options[3])]]
+                if type(temp) == float:
+                    cu.data.temperature = temp
+                else:
+                    cu.data.temperature = temp.mean()
+                    cu.data.temperature_std = temp.std()
+            self.temperature_entry.config(state=DISABLED)
+        else:
+            self.temperature_entry.config(state=NORMAL)
+            self.temp_advertise.config(text='')
+        if cu.Data.options[4] in cu.data.description:
+            self.volume_advertise.config(text=LANGUAGES[settings.LANGUAGE]['automatic_V'], fg='red')
+            if cu.data.inputformat == 'dict':   #only for dict I have the data here
+                vol = cu.data.jdata[cu.data.keys[cu.data.description.index(cu.Data.options[4])]]
+                if type(vol) == float:
+                    cu.data.volume = vol
+                else:
+                    cu.data.volume = vol.mean()
+            else:
+                raise RuntimeError('NOT IMPLEMENTED')
+            self.volume_entry.config(state=DISABLED)
+        else:
+            self.volume_advertise.config(text='')
+            self.volume_entry.config(state=NORMAL)
+        if cu.Data.options[5] in cu.data.description:
+            self.DT_FS_advertise.config(text=LANGUAGES[settings.LANGUAGE]['automatic_DT'], fg='red')
+            if cu.data.inputformat == 'dict':   #only for dict I have the data here
+                cu.data.DT_FS = cu.data.jdata[cu.data.keys[cu.data.description.index(cu.Data.options[5])]]
+            else:
+                raise RuntimeError('NOT IMPLEMENTED')
+            self.DT_FS_entry.config(state=DISABLED)
+        else:
+            self.DT_FS_advertise.config(text='')
+            self.DT_FS_entry.config(state=NORMAL)
+
+        self.update_data()
 
         self.main_frame.viewPort.columnconfigure(0, weight=1)
         self.main_frame.viewPort.rowconfigure(0, weight=1)