X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=django_simple%2Ftodo%2Ftemplates%2Fdetails.html;h=36e8e632fba9f6f50d10798d6a8747f5a29c81ea;hb=574432c5c3b1611eaff016a81a4b6375be2578b8;hp=c83f70ef3aa1690f8a329b2508296a666607ff94;hpb=4da389f1687170e7830697e9c78685353c1dc69a;p=django_unres.git

diff --git a/django_simple/todo/templates/details.html b/django_simple/todo/templates/details.html
index c83f70e..36e8e63 100644
--- a/django_simple/todo/templates/details.html
+++ b/django_simple/todo/templates/details.html
@@ -43,6 +43,18 @@ Created {{ task.created_date  }}
 			  	<div class="col-md-8">
 		  			{% if task.done %}
 			  			<span class="fa fa-check-square-o"></span>
+			  	            {% if task.type == "md" or task.type == "remd" %}
+			  	              <form action="restart/"
+			  			method="get"
+			  			style="text-align;float:right;">
+			  			{% csrf_token %}
+			  			 <input type="submit" 
+			  			 class="btn btn-default" 
+			  			 value="Restart"
+			  			 name="restartbtn">
+			  			 </button>
+                                              </form>
+                                            {% endif %}  
 					{% else %}
 					  {% if task.running > 0  %}
 			  			<span class="fa fa-spinner
@@ -165,6 +177,10 @@ Created {{ task.created_date  }}
 		 	    <div class="col-md-6">{{ task.md_nstep}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> total steps (with restarts) </div>
+		 	    <div class="col-md-6">{{ task.md_total_steps}}</div>
+			</li>		
+		        <li class="list-group-item task-item">
 		            <div class="col-md-6"> ntwe </div>
 		 	    <div class="col-md-6">{{ task.md_ntwe}}</div>
 			</li>		
@@ -209,7 +225,7 @@ Created {{ task.created_date  }}
 			
         {% endif %}
 
-        {% if task.type == "remd" %}
+        {% if task.type == "remd" or task.type == "dock" %}
 
 		        <li class="list-group-item task-item">
 		            <div class="col-md-6"> nrep </div>
@@ -228,6 +244,17 @@ Created {{ task.created_date  }}
 		            <div class="col-md-6"> pdb code</div>
 		 	    <div class="col-md-6">{{ task.pdbcode }}</div>
 			</li>		
+			{% if task.type == "dock" %}
+			<li class="list-group-item task-item">
+		            <div class="col-md-6"> input pdb2 </div>
+		 	    <div class="col-md-6">{{ task.myfile2 }}</div>
+			</li>		
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> pdb code2</div>
+		 	    <div class="col-md-6">{{ task.pdbcode2 }}</div>
+			</li>		
+			
+			{% endif %}
 		        <li class="list-group-item task-item">
 		            <div class="col-md-6"> seed </div>
 		 	    <div class="col-md-6">{{ task.md_seed}}</div>
@@ -251,6 +278,10 @@ Created {{ task.created_date  }}
 		 	    <div class="col-md-6">{{ task.md_nstep}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> total steps (with restarts) </div>
+		 	    <div class="col-md-6">{{ task.md_total_steps}}</div>
+			</li>		
+		        <li class="list-group-item task-item">
 		            <div class="col-md-6"> ntwe </div>
 		 	    <div class="col-md-6">{{ task.md_ntwe}}</div>
 			</li>		
@@ -338,6 +369,12 @@ Created {{ task.created_date  }}
 		 	    <a href="/myfiles/list/{{task.jobdirname}}/">
 		 	    {{ task.jobdirname }}
 		 	    </a>
+		 	    {% if task.done %}
+		 	    &nbsp;
+		 	    <a class="btn btn-default"
+                            href="/{{task.id}}/all.zip">
+                            Download as zip</a>
+                            {% endif %}
 		 	    </div>
 			</li>		
 
@@ -416,7 +453,8 @@ Created {{ task.created_date  }}
 			    <div class="col-md-2"> Movie </div>
 			    <div class="col-md-10"> 
 
-                            <video width="500" height="400" preload controls>
+                            <video width="500" height="400"
+                            preload="auto" controls="controls">
                             <source
                             src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
                             type="video/ogg; codecs=theora"> </source>
@@ -434,7 +472,7 @@ Created {{ task.created_date  }}
 			</li>
                         <li class="list-group-item task-item">
                <div class="col-md-6">
-<input id="clipRange" type="range" value=0 min=0 max= {% widthratio task.md_nstep task.md_ntwx 1 %} step=1 ></input><span id="clipRange_val">0</span> frame
+<input id="clipRange" type="range" value=1 min=1 max= {% widthratio task.md_total_steps task.md_ntwx 1 %} step=1 ></input><span id="clipRange_val">1</span> frame
 </div>
 <div class="col-md-6">
 <button id="toggleRunMDs">run/pause MD</button>  
@@ -456,7 +494,7 @@ Created {{ task.created_date  }}
 		
 			   {% if task.md_pdbref %}
 			<li class="list-group-item task-item">
-			  <div class="col-md-2"> RMSD </div>
+			  <div class="col-md-2"> C<sup>&alpha;</sup> RMSD </div>
 			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
 			  width="500"> </div>
@@ -506,7 +544,7 @@ Created {{ task.created_date  }}
 
 			{% endif %}
 			
-			{% if task.type == "remd" %}
+			{% if task.type == "remd" or task.type == "dock" %}
 			
 			<li class="list-group-item task-item">
 			  <div class="col-md-2"> Energy histogram </div>
@@ -532,21 +570,22 @@ Created {{ task.created_date  }}
 			   {% if task.md_pdbref %}
 
 			<li class="list-group-item task-item">
-			  <div class="col-md-2"> Average RMSD vs. temperature </div>
+			  <div class="col-md-2"> Average C<sup>&alpha;</sup> RMSD vs. temperature </div>
 			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
 			  width="500"> </div>
 			</li>
 
 			<li class="list-group-item task-item">
-			  <div class="col-md-2"> potential energy vs. RMSD</div>
+			  <div class="col-md-2"> potential energy vs.
+			  C<sup>&alpha;</sup> RMSD</div>
 			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
 			  width="500"> </div>
 			</li>
 
                         <li class="list-group-item task-item">
-			  <div class="col-md-2"> RMSD vs. step*replica
+			  <div class="col-md-2"> C<sup>&alpha;</sup> RMSD vs. step*replica
 			  colored by bath temperature</div>
 			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
@@ -599,8 +638,11 @@ Created {{ task.created_date  }}
 			  </a></div>
 			</li> -->			
 			<li class="list-group-item task-item">
-			  <div class="col-md-2"> model1 after conversion 
-			  to allatom {{ task.remd_model1|linebreaks }}
+			  <div class="col-md-2"> model1 
+			  {% if not task.damino %}
+			  after conversion to allatom 
+			  {% endif %}
+			  {{ task.remd_model1|linebreaks }}
 			  NGL viewer</div>
 			  <div class="col-md-10" id="viewport_M1"
 			  style="width:500px;height:500px;"> 
@@ -632,8 +674,11 @@ Created {{ task.created_date  }}
 			  </a></div>
 			</li> -->
 			<li class="list-group-item task-item">
-			  <div class="col-md-2"> model2 after conversion 
-			  to allatom {{ task.remd_model2|linebreaks }}
+			  <div class="col-md-2"> model2 
+			  {% if not task.damino %}
+			  after conversion to allatom
+			  {% endif %}
+			  {{ task.remd_model2|linebreaks }}
 			  NGL viewer</div>
 			  <div class="col-md-10" id="viewport_M2"
 			  style="width:500px;height:500px;"> 
@@ -666,8 +711,11 @@ Created {{ task.created_date  }}
 			  </a></div>
 			</li>-->
 			<li class="list-group-item task-item">
-			  <div class="col-md-2"> model3 after conversion 
-			  to allatom {{ task.remd_model3|linebreaks }}
+			  <div class="col-md-2"> model3 
+			  {% if not task.damino %}
+			  after conversion to allatom
+			  {% endif %}
+			  {{ task.remd_model3|linebreaks }}
 			  NGL viewer</div>
 			  <div class="col-md-10" id="viewport_M3"
 			  style="width:500px;height:500px;"> 
@@ -699,8 +747,11 @@ Created {{ task.created_date  }}
 			  </a></div>
 			</li>-->
 			<li class="list-group-item task-item">
-			  <div class="col-md-2"> model4 after conversion 
-			  to allatom {{ task.remd_model4|linebreaks }}
+			  <div class="col-md-2"> model4 
+			  {% if not task.damino %}
+			  after conversion to allatom
+			  {% endif %}
+			  {{ task.remd_model4|linebreaks }}
 			  NGL viewer</div>
 			  <div class="col-md-10" id="viewport_M4"
 			  style="width:500px;height:500px;"> 
@@ -732,8 +783,11 @@ Created {{ task.created_date  }}
 			  </a></div>
 			</li>-->
 			<li class="list-group-item task-item">
-			  <div class="col-md-2"> model5 after conversion 
-			  to allatom {{ task.remd_model5|linebreaks }}
+			  <div class="col-md-2"> model5 
+			  {% if not task.damino %}
+			  after conversion to allatom 
+			  {% endif %}
+			  {{ task.remd_model5|linebreaks }}
 			  NGL viewer</div>
 			  <div class="col-md-10" id="viewport_M5"
 			  style="width:500px;height:500px;"> 
@@ -771,7 +825,7 @@ $('.majorpointslegend').click(function(){
 });
 </script>
 
-{% if task.type == "remd" %}
+{% if task.type == "remd" or task.type == "dock" %}
 <script>
 function display_model(numstr){
 
@@ -954,8 +1008,7 @@ $(document).ready(function() {
   setTimeout(worker, 30000);
 });
 </script>
-{% endif %} 
-	
+{% endif %}	
 
 {% if task.type == "min" %}
 <script>
@@ -1167,6 +1220,7 @@ window.addEventListener("resize",
         o.addRepresentation( "licorice",{ color:
        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
         });        
+        o.setPosition([0, 0, 100]);
         o.autoView();
         o.addTrajectory();
       });
@@ -1192,7 +1246,7 @@ window.addEventListener("resize",
 					isRunning = true;
 
                     trajComp.signals.frameChanged.add(function(){
-                      var fnum=trajComp.trajectory.currentFrame;                   
+                      var fnum=trajComp.trajectory.currentFrame+1;                   
                       clipRange.value = fnum;
                       clipRange_val.innerHTML = numberWithCommas(parseInt(clipRange.value*1));
                     });
@@ -1207,7 +1261,7 @@ window.addEventListener("resize",
       var clipRange_val = document.getElementById( "clipRange_val" );
       clipRange.oninput = function( e ){
                 var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
-                trajComp.setFrame(e.target.value)
+                trajComp.setFrame(e.target.value-1)
                 clipRange_val.innerHTML = numberWithCommas(parseInt(e.target.value*1));
       };