X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=qcg%2Fforms.py;h=d4b0dd343f93b213fc3d941c86f95fd9986e5b4b;hb=0999f502fbda6a6efa22b02e395ebb2269b1be12;hp=83a053ab7e89f662363623411aa8f65839120035;hpb=cc19da48b2818c23cd4643ea62405a47da02037a;p=qcg-portal.git

diff --git a/qcg/forms.py b/qcg/forms.py
index 83a053a..d4b0dd3 100644
--- a/qcg/forms.py
+++ b/qcg/forms.py
@@ -4,12 +4,12 @@ from django.core.validators import RegexValidator
 from django.template.defaultfilters import capfirst
 from pyqcg.utils import TaskStatus
 
-from qcg.fields import PredefinedChoiceField, MultiplePredefinedChoiceField
-from qcg.models import Task, Allocation
+from qcg.fields import TimeRangeField
+from qcg.models import Task, Allocation, JobTemplate
 
 
 date_range_validator = RegexValidator(r'[0-9]{2}\.[0-9]{2}\.[0-9]{4} - [0-9]{2}\.[0-9]{2}\.[0-9]{4}')
-nodes_validator = RegexValidator(r'^[0-9]{1,3}(:[0-9]{1,2}){0,2}$')
+nodes_validator = RegexValidator(r'^[0-9]{1,3}:[0-9]{1,2}(:[0-9]{1,2})?$')
 env_name_validator = RegexValidator(r'^[a-zA-Z_][a-zA-Z0-9_]*$')
 
 CHOICES_PLACEHOLDER = (None, '')
@@ -44,12 +44,14 @@ class FiltersForm(forms.Form):
     }
     STATUS_CHOICES_DICT = dict(STATUS_CHOICES)
 
+    keywords = forms.CharField(max_length=100, label=u"Wyszukaj frazę", required=False)
     status = forms.MultipleChoiceField(choices=STATUS_CHOICES, label=u"Status", required=False,
                                        widget=forms.CheckboxSelectMultiple)
-    host = forms.MultipleChoiceField(label=u"Host", required=False, widget=forms.CheckboxSelectMultiple)
 
     # advanced
-    keywords = forms.CharField(max_length=100, label=u"Wyszukaj frazę", required=False)
+    host = forms.MultipleChoiceField(label=u"Host", required=False, widget=forms.CheckboxSelectMultiple)
+    purged = forms.TypedChoiceField(label=u"Istniejący katalog roboczy?", required=False, coerce=lambda x: bool(int(x)),
+                                    choices=((0, 'Tak'), (1, 'Nie')), widget=forms.RadioSelect)
     submission = forms.CharField(label=u"Data zlecenia", validators=[date_range_validator], required=False)
     finish = forms.CharField(label=u"Data zakończenia", validators=[date_range_validator], required=False)
 
@@ -62,103 +64,209 @@ class FiltersForm(forms.Form):
 
 
 class JobDescriptionForm(forms.Form):
-    class Host(object):
-        GALERA = 'galera.task.gda.pl'
-        HYDRA = 'hydra.icm.edu.pl'
-        INULA = 'inula.man.poznan.pl'
-        MOSS = 'moss.man.poznan.pl'
-        NOVA = 'nova.wcss.wroc.pl'
-        REEF = 'reef.man.poznan.pl'
-        ZEUS = 'zeus.cyfronet.pl'
+    class Process(object):
+        NONE = ''
+        CMD = 'c'
+        SCRIPT = 's'
 
         CHOICES = (
-            CHOICES_PLACEHOLDER,
-            (GALERA, u'Galera'),
-            (HYDRA, u'Hydra'),
-            (INULA, u'Inula'),
-            (MOSS, u'Moss'),
-            (NOVA, u'Supernova'),
-            (REEF, u'Reef'),
-            (ZEUS, u'Zeus'),
+            (NONE, u'Brak'),
+            (CMD, u'Polecenie'),
+            (SCRIPT, u'Skrypt'),
         )
+
+
     APPLICATION_CHOICES = (
         CHOICES_PLACEHOLDER,
-        ('bash', 'BASH'),
-        ('python', 'Python'),
-        ('matlab', 'MATLAB'),
+        ('unres-gab', 'UNRES GAB'),
+        ('unres-e0ll2y', 'UNRES E0LL2Y'),
     )
+        
+
     QUEUE_CHOICES = (
         CHOICES_PLACEHOLDER,
-        ('plgid', 'plgrid'),
-        ('plgid-long', 'plgrid-long'),
-        ('plgid-testing', 'plgrid-testing'),
-    )
-    MODULES_CHOICES = (
-        ('plgrid/apps/python', 'plgrid/apps/python'),
-        ('plgrid/apps/matlab', 'plgrid/apps/matlab'),
+        ('plgrid', 'plgrid'),
+        ('plgrid-long', 'plgrid-long'),
+        ('plgrid-testing', 'plgrid-testing'),
     )
-    NOTIFY_CHOICES = (
-        (0, u'Brak'),
-        (1, u'E-mail'),
-        (2, u'XMPP'),
+
+    PROTOCOL_CHOICES = (
+        ('', u'Brak'),
+        ('mailto', u'E-mail'),
+        ('xmpp', u'XMPP'),
     )
-    PROCESS_CHOICES = (
-        (0, u'Brak'),
-        (1, u'Polecenie'),
-        (2, u'Skrypt'),
+
+
+    FORCE_FIELD_CHOICES = (
+        ('GAB', u'GAB'),
+        ('E0LL2Y', u'E0LL2Y'),
     )
 
-    application = forms.ChoiceField(choices=APPLICATION_CHOICES, label=u"Aplikacja", required=False)  # TODO choices
-    executable = forms.CharField(label=u"Polecenie", max_length=500, required=False)  # TODO grid ftp
-    arguments = forms.CharField(label=u"Argumenty", max_length=1000, required=False)
+    nstep = forms.IntegerField(label=u"NSTEP", help_text=u"Liczba kroków w trajektorii", min_value=1, initial=500000, required=False)
+    ntwe = forms.IntegerField(label=u"NTWE", help_text=u"Częstość zapisu energii w krokach", min_value=0, initial=100, required=False)
+    ntwx = forms.IntegerField(label=u"NTWX", help_text=u"Częstość zapisu współrzędnych w krokach", min_value=0, initial=1000, required=False)
+    dt = forms.DecimalField(label=u"DT", help_text=u"Krok czasowy. Wartość kroku równa jedności to 48.9 fs", max_digits=5, decimal_places=2, min_value=0.01, initial=0.1, required=False)
+    damax = forms.DecimalField(label=u"DAMAX", help_text=u"Maksymalna dopuszczalna zmiana przyspieszenia podczas jednego kroku czasowego", max_digits=5, decimal_places=2, min_value=0.01, initial=1.0, required=False)
+    force_field = forms.ChoiceField(choices=FORCE_FIELD_CHOICES, label=u"Pole siłowe", required=False, initial='GAB')
+
+    pdb_file = forms.CharField(label=u"Plik PDB", max_length=500, required=False)
+    #retmin = forms.IntegerField(label=u"RETMIN", help_text=u"Dolny zakres temparatur dla wymiany replik", min_value=2, initial=250, required=False)
+    #retmax = forms.IntegerField(label=u"RETMAX", help_text=u"Górny zakres temperatur dla wymiany replik", min_value=2, initial=450, required=False)
+    sequence = forms.CharField(label=u"Sekwencja", help_text=u"Sekwencja aminokwasów w zapisie jednoliterowym", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False)
+    
+    
+    application = forms.ChoiceField(choices=APPLICATION_CHOICES, label=u"Aplikacja", required=False, initial='unres-gab') 
+    #master_file = forms.CharField(label=u"Plik główny", max_length=500, required=False)
 
-    name = forms.CharField(label=u"Nazwa", max_length=100, required=False)
-    note = forms.CharField(label=u"Notatka", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False)
+    executable = forms.CharField(label=u"Plik wykonywalny", max_length=500, required=False)
+    script = forms.CharField(label=u"Skrypt", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False)
+    arguments = forms.MultipleChoiceField(label=u"Argumenty", required=False)
+    note = forms.CharField(label=u"Opis", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False)
     grant = forms.CharField(label=u"Grant", max_length=100, required=False)
 
-    host = forms.ChoiceField(label=u"Host", choices=Host.CHOICES, required=False)
-    queue = PredefinedChoiceField(choices=QUEUE_CHOICES, label=u"Kolejka", required=False)
+    hosts = forms.MultipleChoiceField(label=u"Host", required=False)
+    properties = forms.CharField(label=u"Właściwości węzłów", required=False)
+    queue = forms.ChoiceField(choices=QUEUE_CHOICES, label=u"Kolejka", required=False)
     procs = forms.IntegerField(label=u"Liczba procesów", min_value=0, required=False)
     nodes = forms.CharField(label=u"Topologia węzłów", max_length=10, validators=[nodes_validator], required=False)
-    wall_time = forms.IntegerField(label=u"Wall time (s)", min_value=0, required=False)  # TODO duration field
+    wall_time = TimeRangeField(label=u"Wall time", required=False)
     memory = forms.IntegerField(label=u"Pamięć (MB)", min_value=0, required=False)
     memory_per_slot = forms.IntegerField(label=u"Pamięci per proces (MB)", min_value=0, required=False)
+    modules = forms.MultipleChoiceField(label=u"Moduły", required=False)
+    reservation = forms.CharField(label=u"Rezerwacja", max_length=100, required=False)
 
-    # TODO grid ftp
     input = forms.CharField(label=u"Standardowe wejście", max_length=500, required=False)
-    output = forms.CharField(label=u"Standardowe wyjście", max_length=500, required=False)
-    error = forms.CharField(label=u"Standardowe wyjście błędów", max_length=500, required=False)
-    stage_in = forms.CharField(label=u"Stage in", max_length=500, required=False)
-    stage_out = forms.CharField(label=u"Stage out", max_length=500, required=False)
-
-    properties = MultiplePredefinedChoiceField(label=u"Właściwości węzłów", required=False)
-    modules = forms.MultipleChoiceField(label=u"Moduły", choices=MODULES_CHOICES, required=False)  # TODO choices
-
-    not_after = forms.DateTimeField(label=u"Nie później niż", required=False)
-    not_before = forms.DateTimeField(label=u"Nie wcześniej niż", required=False)
-    deadline = forms.IntegerField(label=u"Deadline (s)", min_value=0, required=False)  # TODO duration field
-    reservation = forms.CharField(label=u"Rezerwacja", max_length=100, required=False)
+    stage_in = forms.MultipleChoiceField(label=u"Stage in", required=False)
 
     monitoring = forms.BooleanField(label=u"Portal QCG-Monitoring", required=False)
-    notify_type = forms.ChoiceField(label=u"Monitorowanie stanu", choices=NOTIFY_CHOICES, required=False, initial=0,
+    notify_type = forms.ChoiceField(label=u"Monitorowanie stanu", choices=PROTOCOL_CHOICES, required=False, initial='',
                                     widget=forms.RadioSelect)
     notify_address = forms.EmailField(label=u"Adres", required=False)
-    watch_output_type = forms.ChoiceField(label=u"Monitorowanie wyjścia", choices=NOTIFY_CHOICES, required=False,
-                                          initial=0, widget=forms.RadioSelect)
+    watch_output_type = forms.ChoiceField(label=u"Monitorowanie wyjścia", choices=PROTOCOL_CHOICES, required=False,
+                                          initial='', widget=forms.RadioSelect)
     watch_output_address = forms.EmailField(label=u"Adres", required=False)
     watch_output_pattern = forms.CharField(label=u"Wzorzec", max_length=500, required=False)
 
-    preprocess_type = forms.ChoiceField(label=u"Preprocessing", choices=PROCESS_CHOICES, required=False, initial=0,
-                                        widget=forms.RadioSelect)
+    preprocess_type = forms.ChoiceField(label=u"Preprocessing", choices=Process.CHOICES, required=False,
+                                        initial=Process.NONE, widget=forms.RadioSelect)
     preprocess_cmd = forms.CharField(label=u"Polecenie", max_length=1000, required=False)
-    preprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False)  # TODO grid ftp
-    postprocess_type = forms.ChoiceField(label=u"Postprocessing", choices=PROCESS_CHOICES, required=False, initial=0,
-                                         widget=forms.RadioSelect)
+    preprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False)
+    postprocess_type = forms.ChoiceField(label=u"Postprocessing", choices=Process.CHOICES, required=False,
+                                         initial=Process.NONE, widget=forms.RadioSelect)
     postprocess_cmd = forms.CharField(label=u"Polecenie", max_length=1000, required=False)
-    postprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False)  # TODO grid ftp
-    native = MultiplePredefinedChoiceField(label=u"Parametry natywne", required=False)
+    postprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False)
+    native = forms.MultipleChoiceField(label=u"Opcje systemu kolejkowego", required=False)
     persistent = forms.BooleanField(label=u"Trwałe", required=False)
-    use_scratch = forms.BooleanField(label=u"Scratch", required=False)
+
+    def __init__(self, data=None, initial=None, hosts=(), applications=(), modules=(), *args, **kwargs):
+        super(JobDescriptionForm, self).__init__(data, initial=initial, *args, **kwargs)
+
+        self.fields['hosts'].choices = hosts
+        self.fields['application'].choices = applications
+        self.fields['modules'].choices = modules
+
+        if data or initial:
+            self._init_user_choices('queue')
+            self._init_user_choices('arguments')
+            self._init_user_choices('native')
+            self._init_user_choices('stage_in')
+            self._init_user_choices('force_field')
+
+            if not hosts:
+                self._init_user_choices('hosts')
+                self._init_user_choices('application')
+                self._init_user_choices('modules')
+
+
+        self.fields['monitoring'].widget.attrs['disabled'] = True
+
+    def clean(self):
+        data = super(JobDescriptionForm, self).clean()
+            
+        force_field = data.get('force_field')
+        
+        if force_field == u'GAB':
+            data['application'] = [u'unres-gab']
+        else:
+            data['application'] = [u'unres-e0ll2y']
+
+        if data['pdb_file']== None:
+            self.add_error('pdb_file', u"Należy podać plik PDB.")
+
+        if data['sequence']== '':
+            self.add_error('sequence', u"Należy podać sekwencję aminokwasów.")
+        
+        if data['procs'] and data['nodes']:
+            self.add_error(None, u"Zdefiniuj tylko jedno z pól: liczbę procesów lub topologię węzłów")
+
+        notify_type = data.get('notify_type')
+        data['notify'] = u'{}:{}'.format(notify_type, data['notify_address']) if notify_type else ''
+
+        wo_type = data.get('watch_output_type')
+        data['watch_output'] = u'{}:{}'.format(wo_type, data['watch_output_address']) if wo_type else ''
+
+        preprocess_type = data.get('preprocess_type')
+        if preprocess_type == self.Process.CMD:
+            data['preprocess'] = data['preprocess_cmd']
+        elif preprocess_type == self.Process.SCRIPT:
+            data['preprocess'] = data['preprocess_script']
+        else:
+            data['preprocess'] = ''
+
+        postprocess_type = data.get('postprocess_type')
+        if postprocess_type == self.Process.CMD:
+            data['postprocess'] = data['postprocess_cmd']
+        elif postprocess_type == self.Process.SCRIPT:
+            data['postprocess'] = data['postprocess_script']
+        else:
+            data['postprocess'] = ''
+
+        return data
+
+    def clean_application(self):
+        return self.cleaned_data['application'].split('/', 1) if self.cleaned_data['application'] else ''
+
+    def clean_nodes(self):
+        return map(int, self.cleaned_data['nodes'].split(':', 2)) if self.cleaned_data['nodes'] else ''
+
+    def clean_executable(self):
+        return self._gsiftp_suffix(self.cleaned_data['executable'])
+
+    def clean_master_file(self):
+        return self._gsiftp_suffix(self.cleaned_data['master_file'])
+
+    def clean_input(self):
+        return self._gsiftp_suffix(self.cleaned_data['input'])
+
+    def clean_stage_in(self):
+        return [self._gsiftp_suffix(item) for item in self.cleaned_data['stage_in']]
+
+    def clean_preprocess_script(self):
+        return self._gsiftp_suffix(self.cleaned_data['preprocess_script'])
+
+    def clean_postprocess_script(self):
+        return self._gsiftp_suffix(self.cleaned_data['postprocess_script'])
+
+    def clean_pdb_file(self):
+        return self._gsiftp_suffix(self.cleaned_data['pdb_file'])
+    
+    def clean_sequence(self):
+        return self.cleaned_data['sequence'].strip(' \t\n\r')
+
+    @staticmethod
+    def _gsiftp_suffix(url):
+        if url:
+            return url if url.startswith('gsiftp://') else 'gsiftp://' + url
+
+    def _init_user_choices(self, name):
+        initial = self.initial.get(name)
+        choices = self.data.getlist(name)[:] if self.data else []
+
+        if initial:
+            choices += initial if isinstance(initial, list) else [initial]
+
+        if choices:
+            self.fields[name].choices += ((v, v) for v in choices)
 
 
 class EnvForm(forms.Form):
@@ -183,5 +291,11 @@ class ColumnsForm(forms.Form):
         (HOST, u"Host"),
     )
 
-    columns = forms.MultipleChoiceField(choices=COLUMNS_CHOICES, label=u"Kolumny", required=False,
-                                        widget=forms.CheckboxSelectMultiple)
+    columns = forms.MultipleChoiceField(choices=COLUMNS_CHOICES, initial=[k for k, v in COLUMNS_CHOICES[1:]],
+                                        label=u"Kolumny", required=False, widget=forms.CheckboxSelectMultiple)
+
+
+class JobTemplateForm(forms.ModelForm):
+    class Meta:
+        model = JobTemplate
+        fields = ('name',)