docking - beta version, only basic

[django_unres.git] / django_simple / todo / forms.py

diff --git a/django_simple/todo/forms.py b/django_simple/todo/forms.py
index c279f08..45e78bf 100644 (file)
--- a/django_simple/todo/forms.py
+++ b/django_simple/todo/forms.py
@@ -495,6 +495,65 @@ class TaskForm_remd_a(forms.Form):
                    self.add_error('md_2d',msg)
 
 
+class TaskForm_dock(forms.Form):
+     name = forms.CharField(max_length=40,widget=forms.TextInput(attrs={'size':40, 'maxlength':40}))
+
+     file1 = forms.FileField(label='Upload a PDB file1',required=False,
+                  help_text='starting structure for chain1')
+     pdbid = forms.CharField(min_length=4,max_length=6,required=False,
+      widget=forms.TextInput(attrs={'size':6, 'maxlength':6, 'title':'PDB code or PDB code:chain id'}),
+      label='or PDB code (:chain)')                   
+
+
+     file2 = forms.FileField(label='Upload a PDB file2',required=False,
+                  help_text='starting structure for chain2')
+     pdbid2 = forms.CharField(min_length=4,max_length=6,required=False,
+      widget=forms.TextInput(attrs={'size':6, 'maxlength':6, 'title':'PDB code or PDB code:chain id'}),
+      label='or PDB code (:chain)')                   
+
+
+     md_nstep = forms.IntegerField(label='NSTEP',initial=200000,
+                  help_text='total number of steps')
+     md_seed = forms.IntegerField(label='SEED',initial=-39912345,
+                  help_text='seed for random number generator')
+                  
+     def clean(self):
+             cleaned_data = super(TaskForm_dock, self).clean()
+
+             file1 = cleaned_data.get("file1")
+             pdbid = cleaned_data.get("pdbid")
+             file2 = cleaned_data.get("file2")
+             pdbid2 = cleaned_data.get("pdbid2")
+
+              
+             if not (file1 or pdbid):
+                msg = 'no PDB file or code for chain1'
+                self.add_error('file1', msg)
+
+             if not (file2 or pdbid2):
+                msg = 'no PDB file or code for chain2'
+                self.add_error('file2', msg)
+
+             if pdbid:
+                 msg=pdb_code_chain(pdbid)
+                 if msg != '':
+                   self.add_error('pdbid',msg)
+               
+             if file1:
+                 msg=pdb_missing_res_chain(file1,'')
+                 if msg != '':
+                   self.add_error('file1',msg)
+
+             if pdbid2:
+                 msg=pdb_code_chain(pdbid2)
+                 if msg != '':
+                   self.add_error('pdbid2',msg)
+               
+             if file2:
+                 msg=pdb_missing_res_chain(file2,'')
+                 if msg != '':
+                   self.add_error('file2',msg)
+
 
 class TaskForm_list(forms.Form):
     name = forms.CharField(max_length=40,disabled=True,required=False)