From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Tue, 30 Jan 2018 00:16:37 +0000 (+0100)
Subject: long job names (40 char) no respa for D amino
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=4e20166e24578902a411d288474a5079dfc981a2;p=django_unres.git

long job names (40 char) no respa for D amino

plot_saxs larger font
---

diff --git a/django_simple/todo/forms.py b/django_simple/todo/forms.py
index 8bf9db1..c279f08 100644
--- a/django_simple/todo/forms.py
+++ b/django_simple/todo/forms.py
@@ -108,11 +108,11 @@ class MultiExampleField(forms.fields.MultiValueField):
 
 
 class TaskForm(forms.Form):
-    name = forms.CharField(max_length=20)
+    name = forms.CharField(max_length=40,widget=forms.TextInput(attrs={'size':40, 'maxlength':40}))
 
 
 class TaskForm_min(forms.Form):
-     name = forms.CharField(max_length=20)
+     name = forms.CharField(max_length=40,widget=forms.TextInput(attrs={'size':40, 'maxlength':40}))
      file1 = forms.FileField(label='Upload a PDB file',required=False,
       help_text='continuous (without breaks) protein chains,use TER to divide chains')
      pdbid = forms.CharField(min_length=4,max_length=6,required=False,
@@ -141,7 +141,7 @@ class TaskForm_min(forms.Form):
 
             
 class TaskForm_min_a(forms.Form):
-     name = forms.CharField(max_length=20)
+     name = forms.CharField(max_length=40,widget=forms.TextInput(attrs={'size':40, 'maxlength':40}))
 
      unres_ff = forms.ChoiceField(choices=FF_CHOICE,widget=forms.RadioSelect,
                            label='Force Field',initial='FF2')
@@ -190,7 +190,7 @@ class TaskForm_min_a(forms.Form):
 
 
 class TaskForm_md(forms.Form):
-     name = forms.CharField(max_length=20)
+     name = forms.CharField(max_length=40,widget=forms.TextInput(attrs={'size':40, 'maxlength':40}))
 
      md_start = forms.ChoiceField(choices=MD_START,widget=forms.RadioSelect,
                       label='starting structure',initial='extconf')
@@ -246,7 +246,7 @@ class TaskForm_md(forms.Form):
 
                         
 class TaskForm_md_a(forms.Form):
-     name = forms.CharField(max_length=20)
+     name = forms.CharField(max_length=40,widget=forms.TextInput(attrs={'size':40, 'maxlength':40}))
 
      unres_ff = forms.ChoiceField(choices=FF_CHOICE,widget=forms.RadioSelect,
                            label='Force Field',initial='FF2')
@@ -335,7 +335,7 @@ class TaskForm_md_a(forms.Form):
                    self.add_error('md_2d',msg)
 
 class TaskForm_remd(forms.Form):
-     name = forms.CharField(max_length=20)
+     name = forms.CharField(max_length=40,widget=forms.TextInput(attrs={'size':40, 'maxlength':40}))
 
      md_start = forms.ChoiceField(choices=MD_START,widget=forms.RadioSelect,
                       label='starting structure',initial='extconf')
@@ -388,7 +388,7 @@ class TaskForm_remd(forms.Form):
 
                              
 class TaskForm_remd_a(forms.Form):
-     name = forms.CharField(max_length=20)
+     name = forms.CharField(max_length=40,widget=forms.TextInput(attrs={'size':40, 'maxlength':40}))
 
      unres_ff = forms.ChoiceField(choices=FF_CHOICE,widget=forms.RadioSelect,
                            label='Force Field',initial='FF2')
@@ -497,7 +497,7 @@ class TaskForm_remd_a(forms.Form):
 
 
 class TaskForm_list(forms.Form):
-    name = forms.CharField(max_length=20,disabled=True,required=False)
+    name = forms.CharField(max_length=40,disabled=True,required=False)
     nrep = forms.IntegerField(disabled=True,required=False,label='NREP')
 
     def __init__(self, count, *args, **kwargs):
diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py
index 33276ac..118de52 100644
--- a/django_simple/todo/views.py
+++ b/django_simple/todo/views.py
@@ -314,6 +314,9 @@ def add_md(request,task_id):
              if task.md_start != "pdbstart":
                 task.ssbond=''
 
+             if any(c.islower() for c in seq):
+              task.md_respa=False
+
              task.ready=True
              
              task.save()
@@ -382,6 +385,8 @@ def add_md_a(request,task_id):
              task.md_mdpdb=form.cleaned_data["md_mdpdb"]
              task.unres_ff=form.cleaned_data["unres_ff"]
              task.md_respa=form.cleaned_data["md_respa"]             
+             if any(c.islower() for c in seq):
+              task.md_respa=False
              task.boxx=form.cleaned_data["boxx"]
              task.boxy=form.cleaned_data["boxy"]             
              task.boxz=form.cleaned_data["boxz"]             
@@ -443,6 +448,9 @@ def add_remd(request,task_id):
 
              task.md_nstep=form.cleaned_data["md_nstep"]
 
+             if any(c.islower() for c in seq):
+              task.md_respa=False
+
 
              task.ready=True
              
@@ -665,6 +673,9 @@ def add_remd_a(request,task_id):
              task.md_ntwx=form.cleaned_data["md_ntwx"]             
              task.md_ntwe=form.cleaned_data["md_ntwe"]
              task.md_respa=form.cleaned_data["md_respa"]
+             if any(c.islower() for c in seq):
+              task.md_respa=False
+             
 #             task.remd_traj1file=form.cleaned_data["remd_traj1file"]
 #             task.remd_rest1file=form.cleaned_data["remd_rest1file"]
 
diff --git a/files/plot_saxs.py b/files/plot_saxs.py
index d1ff7f6..834e842 100755
--- a/files/plot_saxs.py
+++ b/files/plot_saxs.py
@@ -9,6 +9,9 @@ import numpy as np
 import sys
 import os.path
 
+matplotlib.rc('font', size=15)
+matplotlib.rc('legend', fontsize=15)
+
 x,y= np.loadtxt('saxs.data',usecols=(0,1),unpack=True)
 x1,y1= np.loadtxt('MODEL1_saxs.data',usecols=(0,2),unpack=True)
 x2,y2= np.loadtxt('MODEL2_saxs.data',usecols=(0,2),unpack=True)
@@ -18,7 +21,7 @@ x5,y5= np.loadtxt('MODEL5_saxs.data',usecols=(0,2),unpack=True)
 
 
 plt.clf()
-plt.xlabel('r')
+plt.xlabel(r'r [$\AA$]')
 plt.ylabel('P(r)')
 plt.xlim(x[0], x[-1])
 plt.plot(x,y,'-',color='black')