Cleanup of different inputs

mdadash/backend/analyses/com_distance.py

@@ -39,13 +39,13 @@ class COMDistance(WidgetBase):
             "attribute": "periodic",
             "name": "Periodic",
             "description": "Select with periodic boundary conditions",
-            "type": "switch",
+            "type": "bool",
         },
         {
             "attribute": "updating",
             "name": "Updating",
             "description": "Update selection during each timestep",
-            "type": "switch",
+            "type": "bool",
         },
         {
             "attribute": "custom_title",
@@ -63,12 +63,12 @@ class COMDistance(WidgetBase):
             "attribute": "max_distance",
             "name": "Max distance",
             "description": "Max distance for alert check",
-            "type": "int",
+            "type": "float",
         },
         {
             "attribute": "max_distance_alert",
             "name": "Alert if distance > 'Max distance'",
-            "type": "switch",
+            "type": "bool",
         },
         {
             "attribute": "x_type",
@@ -83,7 +83,8 @@ class COMDistance(WidgetBase):
 
     def __init__(self):
         super().__init__()
-        self.maxlen = 100
+        self.default_maxlen = 100
+        self.maxlen = self.default_maxlen
         self.steps = deque(maxlen=self.maxlen)
         self.times = deque(maxlen=self.maxlen)
         self.y_values = deque(maxlen=self.maxlen)
@@ -95,7 +96,7 @@ def __init__(self):
         self.ag2 = None
         self.title = "Distance between COMs"
         self.custom_title = None
-        self.max_distance = 5
+        self.max_distance = 5.0
         self.max_distance_alert = False
         self.x_type = "step"
         self.x_values = self.steps
@@ -130,6 +131,8 @@ def on_input_change(self, attribute, _old_value, new_value):
         """on_input_change handler"""
         reset_plot = False
         if attribute == "maxlen":
+            if new_value < 0:
+                self.maxlen = self.default_maxlen
             reset_plot = True
         elif attribute == "x_type":
             self._set_x_values()

mdadash/backend/analyses/energies.py

@@ -43,7 +43,8 @@ class EnergyWidgetBase:
     def __init__(self):
         super().__init__()
         self.title = self.name
-        self.maxlen = 100
+        self.default_maxlen = 100
+        self.maxlen = self.default_maxlen
         self.steps = deque(maxlen=self.maxlen)
         self.times = deque(maxlen=self.maxlen)
         self.y_values = deque(maxlen=self.maxlen)
@@ -63,9 +64,11 @@ def _set_x_values(self):
     def on_input_change(self, attribute, _old_value, new_value):
         """on_input_change handler"""
         if attribute == "maxlen":
-            self.steps = deque(maxlen=new_value)
-            self.times = deque(maxlen=new_value)
-            self.y_values = deque(maxlen=new_value)
+            if new_value < 0:
+                self.maxlen = self.default_maxlen
+            self.steps = deque(maxlen=self.maxlen)
+            self.times = deque(maxlen=self.maxlen)
+            self.y_values = deque(maxlen=self.maxlen)
             self._set_x_values()
         elif attribute == "x_type":
             self._set_x_values()

mdadash/backend/analyses/rog.py

@@ -19,8 +19,18 @@ class ROG(WidgetBase):
 
     name = "ROG"
     description = "Radii of Gyration of a selection"
+    _analysis_mode = "per-frame"
 
     _inputs = [
+        {
+            "attribute": "_analysis_mode",
+            "name": "Analysis mode",
+            "description": "The mode to run this analysis widget",
+            "type": "select",
+            "items": [
+                "per-frame",
+            ],
+        },
         {
             "attribute": "selection",
             "name": "Selection",
@@ -32,13 +42,13 @@ class ROG(WidgetBase):
             "attribute": "periodic",
             "name": "Periodic",
             "description": "Select with periodic boundary conditions",
-            "type": "switch",
+            "type": "bool",
         },
         {
             "attribute": "updating",
             "name": "Updating",
             "description": "Update selection during each timestep",
-            "type": "switch",
+            "type": "bool",
         },
         {
             "attribute": "custom_title",
@@ -65,7 +75,8 @@ class ROG(WidgetBase):
 
     def __init__(self):
         super().__init__()
-        self.maxlen = 100
+        self.default_maxlen = 100
+        self.maxlen = self.default_maxlen
         self.steps = deque(maxlen=self.maxlen)
         self.times = deque(maxlen=self.maxlen)
         self.y_values = deque(maxlen=self.maxlen)
@@ -99,10 +110,12 @@ def post_connect(self):
         """post_connect handler"""
         self._update_selection()
 
-    def on_input_change(self, attribute, _old_value, _new_value):
+    def on_input_change(self, attribute, _old_value, new_value):
         """on_input_change handler"""
         reset_plot = False
         if attribute == "maxlen":
+            if new_value < 0:
+                self.maxlen = self.default_maxlen
             reset_plot = True
         elif attribute == "x_type":
             self._set_x_values()

mdadash/backend/tests/test_server.py

@@ -314,7 +314,7 @@ async def test_widget_runs(_client, imd_server):
     assert uuid is not None
     # test input changes
     inputs = [
-        ("maxlen", 10),
+        ("maxlen", -1),
         ("x_type", "time"),
     ]
     await _test_input_changes(uuid, inputs)
@@ -332,7 +332,7 @@ async def test_widget_runs(_client, imd_server):
     maxlen = next(
         (i for i in response["inputs"] if i.get("attribute") == "maxlen"), None
     )
-    assert maxlen["value"] == 10
+    assert maxlen["value"] == 100
 
     # connect to simulation
     # widgets can be added even when the dashboard is not connected
@@ -379,7 +379,7 @@ async def test_widget_runs(_client, imd_server):
     # test input changes
     inputs = [
         ("selection", "protein"),
-        ("maxlen", 10),
+        ("maxlen", -1),
         ("x_type", "time"),
         ("updating", True),
     ]
@@ -395,7 +395,7 @@ async def test_widget_runs(_client, imd_server):
     inputs = [
         ("selection1", "resid 1"),
         ("selection2", "resid 2"),
-        ("maxlen", 10),
+        ("maxlen", -1),
         ("x_type", "time"),
         ("updating", True),
     ]

mdadash/backend/widgets/base.py

@@ -313,7 +313,9 @@ def set_input(self, uuid: str, attribute: str, value: Any) -> bool:
         """
         widget = self.instances[uuid]
         old_value = getattr(widget, attribute, value)
-        setattr(widget, attribute, value)
+        old_type = type(old_value)
+        # set input using the same existing type
+        setattr(widget, attribute, old_type(value))
         try:
             widget.on_input_change(attribute, old_value, value)
             widget._set_input_state(attribute)

mdadash/frontend/src/__tests__/views/WidgetView.spec.js

@@ -59,6 +59,13 @@ const widgetDetails = {
       ],
       value: 'step',
     },
+    {
+      attribute: '_analysis_mode',
+      name: 'Analysis mode',
+      description: 'The mode to run this analysis widget',
+      type: 'select',
+      items: ['per-frame', 'batch'],
+    },
   ],
 }
 
@@ -193,6 +200,9 @@ describe('WidgetView.vue', () => {
       attribute: 'x_type',
       value: 'step',
     })
+    // check select from dropdown
+    const mode = wrapper.findComponent('[data-attribute="_analysis_mode"]')
+    await mode.vm.$emit('update:modelValue', 'batch')
     // check invalid input update
     const maxlen = wrapper.find('[data-attribute="maxlen"]')
     maxlen.find('input').setValue(100)

mdadash/frontend/src/views/SettingsView.vue

@@ -104,7 +104,7 @@
                 label="buffer_size"
                 variant="outlined"
                 v-model="settings.universe_configs[0].buffer_size"
-                control-variant="default"
+                control-variant="hidden"
                 hint="IMDFrameBuffer will be filled with as many IMDFrame fit in buffer_size bytes [10MB]"
                 persistent-hint
               ></v-number-input>
@@ -117,6 +117,9 @@
                 control-variant="default"
                 hint="Timeout for the socket in seconds [5]"
                 persistent-hint
+                :min="0"
+                :max="30"
+                :step="1"
               ></v-number-input>
 
               <v-select
@@ -148,7 +151,7 @@
                 label="Total simulation steps"
                 variant="outlined"
                 v-model="settings.universe_configs[0].total_steps"
-                control-variant="default"
+                control-variant="hidden"
                 hint="Configuring this will enable showing % completion"
                 persistent-hint
               ></v-number-input>

mdadash/frontend/src/views/WidgetView.vue

@@ -61,8 +61,10 @@
                   @change="(e) => handleInputChange(input)"
                   @blur="input.error && handleInputChange(input)"
                   @click="input.type === 'toggle' && handleInputChange(input)"
+                  @update:model-value="input.type === 'select' && handleInputChange(input)"
                   :rules="addRules(input.validations)"
                   :error-messages="input.error"
+                  :items="input.items || []"
                 >
                   <template v-if="input.type === 'toggle'" #default>
                     <v-btn v-for="opt in input.options" :key="opt.value" :value="opt.value">
@@ -112,15 +114,7 @@ import { socket } from '@/socket'
 import { useRoute } from 'vue-router'
 import { ref, onMounted, onBeforeUnmount, inject } from 'vue'
 import { mdiChevronDown, mdiChevronUp } from '@mdi/js'
-import {
-  VTextField,
-  VSelect,
-  VCheckbox,
-  VNumberInput,
-  VSwitch,
-  VSlider,
-  VBtnToggle,
-} from 'vuetify/components'
+import { VTextField, VSelect, VNumberInput, VSwitch, VBtnToggle } from 'vuetify/components'
 
 const route = useRoute()
 const uuid = route.query.uuid
@@ -134,20 +128,18 @@ const isLoading = ref(false)
 const componentMap = {
   str: VTextField,
   int: VNumberInput,
-  bool: VCheckbox,
-  switch: VSwitch,
+  float: VTextField,
+  bool: VSwitch,
   select: VSelect,
-  slider: VSlider,
   toggle: VBtnToggle,
 }
 
 const propsMap = {
   str: {},
   int: {},
-  bool: {},
-  switch: { density: 'compact', color: 'primary' },
+  float: { type: 'number', hideSpinButtons: true },
+  bool: { density: 'compact', color: 'primary' },
   select: {},
-  slider: {},
   toggle: { mandatory: 'true', color: 'primary', class: 'd-flex align-center', rounded: '1' },
 }