update score

ippisite/ippidb/templates/targetcentric.html

@@ -166,11 +166,11 @@
                             <table class="gradiant"><tbody><tr>
                             {% for td in avg_std|make_list %}
                                 {% if forloop.first %}
-                            <td style="background-color:rgb({{ td|get_color:avg_std }})" title="{{ td|get_zscore:avg_std }}">{{ td|get_zscore:avg_std|floatformat:2|intcomma }}</td>
+                            <td style="background-color:rgb({{ td|get_color }})" title="{{ td }}">{{ td|floatformat:2|intcomma }}</td>
                                 {% elif forloop.last %}
-                            <td style="direction: rtl;background-color:rgb({{ td|get_color:avg_std }})" title="{{ td|get_zscore:avg_std }}">{{ td|get_zscore:avg_std|floatformat:2|intcomma }}</td>
+                            <td style="direction: rtl;background-color:rgb({{ td|get_color }})" title="{{ td }}">{{ td|floatformat:2|intcomma }}</td>
                                 {% else %}
-                            <td style="background-color:rgb({{ td|get_color:avg_std }})" title="{{ td|get_zscore:avg_std }}"> </td>
+                            <td style="background-color:rgb({{ td|get_color }})" title="{{ td }}"> </td>
                                 {% endif %}
                             {% endfor %}
                             </tr></tbody></table>
@@ -282,7 +282,7 @@
                                 </tr>
                                 {% for distance in nearcavities %}
                                 {% if cavity == distance.cavity1 %}
-                                    <tr class="collapse out collapseme{{ chaincount }}_{{ cavcount }}" style="background-color:rgb({{ distance.distance|get_color:avg_std }})">
+                                    <tr class="collapse out collapseme{{ chaincount }}_{{ cavcount }}" style="background-color:rgb({{ distance.distance|get_zscore:avg_std|get_color }})">
                                         <th class="zui-sticky-col text-nowrap">
                                         
                                             <a title="{{ distance.distance|get_zscore:avg_std|floatformat:3|intcomma }}" target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?pdbsearch={{ distance.cavity2.chain.pdb.code }}">{{ distance.cavity2.chain.pdb.code }}</a>
@@ -348,7 +348,7 @@
                                         <td>{{ distance.cavity2.t120|floatformat:1 }}</td>
                                     </tr>
                                 {% elif cavity == distance.cavity2 %}
-                                    <tr class="collapse out collapseme{{ chaincount }}_{{ cavcount }}" style="background-color:rgb({{ distance.distance|get_color:avg_std }})">
+                                    <tr class="collapse out collapseme{{ chaincount }}_{{ cavcount }}" style="background-color:rgb({{ distance.distance|get_zscore:avg_std|get_color }})">
                                         <th class="zui-sticky-col text-nowrap">
                                             <a title="{{ distance.distance|get_zscore:avg_std|floatformat:3|intcomma }}" target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?pdbsearch={{ distance.cavity1.chain.pdb.code }}">{{ distance.cavity1.chain.pdb.code }}</a>
                                             / 

ippisite/ippidb/templatetags/customtags.py

@@ -262,20 +262,15 @@ def get_zscore_threshold(avg_std):
 
 @register.filter
 def get_zscore(distance, avg_std):
-    value_max = avg_std.average + (avg_std.average - avg_std.minimum)
-    if distance > value_max:
-        distance = value_max
-    score = 1 - (distance - avg_std.minimum) / (value_max - avg_std.minimum)
+    std = float(avg_std.std)
+    mean = float(avg_std.average)
+    dist = float(distance)
+    score = np.exp(-((dist ** 2) / (2 * (std ** 2))))
     return score
 
 
 @register.filter
-def get_color(distance, avg_std):
-    value_max = avg_std.average + (avg_std.average - avg_std.minimum)
-    if distance > value_max:
-        distance = value_max
-    value = float((distance - avg_std.minimum) / (value_max - avg_std.minimum))
-    ratio = 1 - value
+def get_color(ratio):
     hsl = ratio * 120 / 360
     rgb_color = colorsys.hls_to_rgb(hsl, 0.65, 0.7)
     return "{}, {}, {}".format(
@@ -285,7 +280,5 @@ def get_color(distance, avg_std):
 
 @register.filter
 def make_list(avg_std):
-    gradient_max = avg_std.average + (avg_std.average - avg_std.minimum)
-    step = (gradient_max - avg_std.minimum) / 25
-
-    return np.arange(avg_std.minimum, gradient_max + step, step)
+    step = 1 / 25
+    return np.flip(np.arange(0, 1 + step, step))