From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Sun, 28 Jan 2018 20:13:27 +0000 (+0100)
Subject: adv remd 2nd SAXS example
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=614751bcbe1c1dc959ff55fef202019e691115d8;p=django_unres.git

adv remd 2nd SAXS example
---

diff --git a/django_simple/todo/templates/edit.html b/django_simple/todo/templates/edit.html
index 940ab03..f7648b7 100644
--- a/django_simple/todo/templates/edit.html
+++ b/django_simple/todo/templates/edit.html
@@ -79,7 +79,10 @@ Calculation type {{ p_type }}
 		<button type="submit" value="example" name="_example" class="save btn btn-default">Load example data</button>		
 		{% if p_type == "replica exchange molecular dynamics - advanced options" %}
 		<button type="submit" value="example_saxs"
-	        name="_example_saxs" class="save btn btn-default">Load example SAXS data</button>		
+	        name="_example_saxs" class="save btn btn-default">Load example SAXS 1</button>		
+		<button type="submit" value="example_saxs1"
+	        name="_example_saxs1" class="save btn btn-default">Load example SAXS 2</button>		
+
 		{% endif %}
 	</form>
 
diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py
index 0edb463..f91e57c 100644
--- a/django_simple/todo/views.py
+++ b/django_simple/todo/views.py
@@ -514,6 +514,112 @@ def add_remd_a(request,task_id):
 35.5     3.30592e-04
 36.5     1.38359e-04"""}
         form = TaskForm_remd_a(initial=data)     
+     elif '_example_saxs1' in request.POST:
+        data= {'name':task.name,'pdbid':'2KMS','md_pdbref':True,'md_start':'pdbstart',
+        'md_2d':'----EEEEEE-EEEEE-------EEEEEEEEE--EEEEEE-EEEE---EEEEEEEEE-----EEEEEEE-EEE-HHHHH-EEEE-EEEEEEEEE----EEEEEE---EEE-----',
+         'md_nstep':200000,'md_lang':'langevin','unres_ff':'FF2','md_seed':-39912345,
+         'remd_cluter_temp':280, 
+         'scal_rad':5.0,'wsaxs':1000.0,'saxs_data':
+"""0.7100E-00 0.2036E-03
+0.1420E+01 0.4221E-03
+0.2130E+01 0.6548E-03
+0.2840E+01 0.9001E-03
+0.3550E+01 0.1156E-02
+0.4260E+01 0.1421E-02
+0.4970E+01 0.1692E-02
+0.5680E+01 0.1965E-02
+0.6390E+01 0.2239E-02
+0.7100E+01 0.2509E-02
+0.7810E+01 0.2772E-02
+0.8520E+01 0.3025E-02
+0.9230E+01 0.3265E-02
+0.9940E+01 0.3489E-02
+0.1065E+02 0.3694E-02
+0.1136E+02 0.3878E-02
+0.1207E+02 0.4039E-02
+0.1278E+02 0.4177E-02
+0.1349E+02 0.4289E-02
+0.1420E+02 0.4377E-02
+0.1491E+02 0.4439E-02
+0.1562E+02 0.4478E-02
+0.1633E+02 0.4493E-02
+0.1704E+02 0.4487E-02
+0.1775E+02 0.4461E-02
+0.1846E+02 0.4418E-02
+0.1917E+02 0.4361E-02
+0.1988E+02 0.4291E-02
+0.2059E+02 0.4211E-02
+0.2130E+02 0.4125E-02
+0.2201E+02 0.4034E-02
+0.2272E+02 0.3942E-02
+0.2343E+02 0.3850E-02
+0.2414E+02 0.3761E-02
+0.2485E+02 0.3677E-02
+0.2556E+02 0.3598E-02
+0.2627E+02 0.3526E-02
+0.2698E+02 0.3462E-02
+0.2769E+02 0.3405E-02
+0.2840E+02 0.3356E-02
+0.2911E+02 0.3315E-02
+0.2982E+02 0.3280E-02
+0.3053E+02 0.3251E-02
+0.3124E+02 0.3226E-02
+0.3195E+02 0.3205E-02
+0.3266E+02 0.3186E-02
+0.3337E+02 0.3167E-02
+0.3408E+02 0.3147E-02
+0.3479E+02 0.3125E-02
+0.3550E+02 0.3099E-02
+0.3621E+02 0.3068E-02
+0.3692E+02 0.3031E-02
+0.3763E+02 0.2987E-02
+0.3834E+02 0.2937E-02
+0.3905E+02 0.2878E-02
+0.3976E+02 0.2812E-02
+0.4047E+02 0.2739E-02
+0.4118E+02 0.2658E-02
+0.4189E+02 0.2571E-02
+0.4260E+02 0.2478E-02
+0.4331E+02 0.2381E-02
+0.4402E+02 0.2279E-02
+0.4473E+02 0.2174E-02
+0.4544E+02 0.2068E-02
+0.4615E+02 0.1960E-02
+0.4686E+02 0.1853E-02
+0.4757E+02 0.1748E-02
+0.4828E+02 0.1644E-02
+0.4899E+02 0.1544E-02
+0.4970E+02 0.1447E-02
+0.5041E+02 0.1355E-02
+0.5112E+02 0.1267E-02
+0.5183E+02 0.1184E-02
+0.5254E+02 0.1106E-02
+0.5325E+02 0.1033E-02
+0.5396E+02 0.9646E-03
+0.5467E+02 0.9008E-03
+0.5538E+02 0.8411E-03
+0.5609E+02 0.7852E-03
+0.5680E+02 0.7327E-03
+0.5751E+02 0.6831E-03
+0.5822E+02 0.6360E-03
+0.5893E+02 0.5909E-03
+0.5964E+02 0.5475E-03
+0.6035E+02 0.5055E-03
+0.6106E+02 0.4646E-03
+0.6177E+02 0.4245E-03
+0.6248E+02 0.3853E-03
+0.6319E+02 0.3467E-03
+0.6390E+02 0.3089E-03
+0.6461E+02 0.2719E-03
+0.6532E+02 0.2357E-03
+0.6603E+02 0.2007E-03
+0.6674E+02 0.1669E-03
+0.6745E+02 0.1345E-03
+0.6816E+02 0.1038E-03
+0.6887E+02 0.7482E-04
+0.6958E+02 0.4782E-04
+0.7029E+02 0.2286E-04"""}
+        form = TaskForm_remd_a(initial=data)     
      else:
         form = TaskForm_remd_a(request.POST,request.FILES)
         if form.is_valid():