Add property group widget for molecule representation

expose some mapper parameters:
 - atoms/bonds visiblity,
 - radius values/scale/type

presets are also available from proxy

Applications/ParaView/Testing/XML/Molecule.xml

@@ -8,7 +8,16 @@
   <pqevent object="pqClientMainWindow/menubar/menuTools" command="activate" arguments="actionTesting_Window_Size" />
   <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
   <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Baseline/Molecule-BallStick.png" width="300" height="300" />
-  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeRenderMode/ComboBox" command="set_string" arguments="Space Filling" />
-  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeRenderMode/ComboBox" command="set_string" arguments="Liquorice" />
+  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeParameters/preset" command="activated" arguments="Liquorice" />
   <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Baseline/Molecule-Liquorice.png" width="300" height="300" />
+  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeParameters/preset" command="activated" arguments="Ball and Stick" />
+  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeParameters/showBonds" command="set_boolean" arguments="false" />
+  <pqcheck object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeParameters/preset" property="currentText" arguments="(no preset)" />
+  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeParameters/atomicRadiusFactor/Slider" command="set_int" arguments="75" />
+  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/SearchBox/AdvancedButton" command="set_boolean" arguments="true" />
+  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeParameters/showBonds" command="set_boolean" arguments="true" />
+  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeParameters/useMultiCylinders" command="set_boolean" arguments="false" />
+  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeParameters/atomicRadiusType" command="activated" arguments="Unit" />
+  <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/DisplayFrame/ProxyPanel/MoleculeParameters/atomicRadiusFactor/Slider" command="set_int" arguments="13" />
+  <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Baseline/Molecule-Custom.png" width="300" height="300" />
 </pqevents>

Documentation/release/dev/improve-molecule-representation.md

+# improve-molecule-represenation
+
+* Expose molecule mapper parameters, such as atom/bond size and color, on the molecule representation.
+* Add predefined presets to control those parameters. Presets and parameters are available from the GUI
+  and from python.

ParaViewCore/ClientServerCore/Rendering/vtkMoleculeRepresentation.cxx

@@ -47,6 +47,9 @@ vtkStandardNewMacro(vtkMoleculeRepresentation)
   // initialize cache:
   this->CacheKeeper->SetInputData(this->DummyMolecule.Get());
 
+  static const char* defaultRadiiArrayName = "radii";
+  this->SetAtomicRadiusArray(defaultRadiiArrayName);
+
   vtkMath::UninitializeBounds(this->DataBounds);
 }
 
@@ -242,6 +245,66 @@ void vtkMoleculeRepresentation::SyncMapper()
   }
 }
 
+//------------------------------------------------------------------------------
+void vtkMoleculeRepresentation::SetAtomicRadiusType(int type)
+{
+  this->Mapper->SetAtomicRadiusType(type);
+}
+
+//------------------------------------------------------------------------------
+void vtkMoleculeRepresentation::SetAtomicRadiusScaleFactor(double factor)
+{
+  this->Mapper->SetAtomicRadiusScaleFactor(factor);
+}
+
+//------------------------------------------------------------------------------
+void vtkMoleculeRepresentation::SetBondRadius(double radius)
+{
+  this->Mapper->SetBondRadius(radius);
+}
+
+//------------------------------------------------------------------------------
+void vtkMoleculeRepresentation::SetUseMultiCylindersForBonds(bool use)
+{
+  this->Mapper->SetUseMultiCylindersForBonds(use);
+}
+
+//------------------------------------------------------------------------------
+void vtkMoleculeRepresentation::SetRenderAtoms(bool render)
+{
+  this->Mapper->SetRenderAtoms(render);
+}
+
+//------------------------------------------------------------------------------
+void vtkMoleculeRepresentation::SetRenderBonds(bool render)
+{
+  this->Mapper->SetRenderBonds(render);
+}
+
+//------------------------------------------------------------------------------
+void vtkMoleculeRepresentation::SetAtomicRadiusArray(const char* name)
+{
+  this->Mapper->SetAtomicRadiusArrayName(name);
+}
+
+//------------------------------------------------------------------------------
+void vtkMoleculeRepresentation::SetBondColorMode(int mode)
+{
+  this->Mapper->SetBondColorMode(mode);
+}
+
+//------------------------------------------------------------------------------
+void vtkMoleculeRepresentation::SetBondColor(double r, double g, double b)
+{
+  this->Mapper->SetBondColor(r * 255, g * 255, b * 255);
+}
+
+//------------------------------------------------------------------------------
+void vtkMoleculeRepresentation::SetBondColor(double color[3])
+{
+  this->SetBondColor(color[0], color[1], color[2]);
+}
+
 //------------------------------------------------------------------------------
 void vtkMoleculeRepresentation::UpdateColoringParameters()
 {

ParaViewCore/ClientServerCore/Rendering/vtkMoleculeRepresentation.h

@@ -61,6 +61,22 @@ public:
 
   void MarkModified() VTK_OVERRIDE;
 
+  //@{
+  /**
+   * Forward custom atom/bonds rendering parameters to the mapper.
+   */
+  void SetAtomicRadiusType(int type);
+  void SetAtomicRadiusScaleFactor(double factor);
+  void SetBondRadius(double factor);
+  void SetBondColorMode(int mode);
+  void SetBondColor(double color[3]);
+  void SetBondColor(double r, double g, double b);
+  void SetUseMultiCylindersForBonds(bool use);
+  void SetRenderAtoms(bool render);
+  void SetRenderBonds(bool render);
+  void SetAtomicRadiusArray(const char* name);
+  //@}
+
 protected:
   vtkMoleculeRepresentation();
   ~vtkMoleculeRepresentation() override;

ParaViewCore/ServerManager/Rendering/CMakeLists.txt

@@ -50,6 +50,7 @@ set (Module_SRCS
   vtkSMLightProxy.cxx
   vtkSMMaterialDomain.cxx
   vtkSMMaterialLibraryProxy.cxx
+  vtkSMPVMoleculeRepresentationProxy.cxx
   vtkSMMultiSliceViewProxy.cxx
   vtkSMNewWidgetRepresentationProxy.cxx
   vtkSMOrthographicSliceViewProxy.cxx

ParaViewCore/ServerManager/Rendering/vtkSMPVMoleculeRepresentationProxy.cxx

+/*=========================================================================
+
+  Program:   ParaView
+  Module:    vtkSMPVMoleculeRepresentationProxy.cxx
+
+  Copyright (c) Kitware, Inc.
+  All rights reserved.
+  See Copyright.txt or http://www.paraview.org/HTML/Copyright.html for details.
+
+     This software is distributed WITHOUT ANY WARRANTY; without even
+     the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
+     PURPOSE.  See the above copyright notice for more information.
+
+=========================================================================*/
+#include "vtkSMPVMoleculeRepresentationProxy.h"
+
+#include "vtkObjectFactory.h"
+#include "vtkSMTrace.h"
+#include "vtkSMUncheckedPropertyHelper.h"
+
+#include <cstring>
+
+vtkStandardNewMacro(vtkSMPVMoleculeRepresentationProxy);
+
+bool MapperParametersPreset::IsSimilar(const MapperParametersPreset& p) const
+{
+  return (p.RenderAtoms == this->RenderAtoms && p.RenderBonds == this->RenderBonds &&
+    p.AtomicRadiusType == this->AtomicRadiusType &&
+    p.AtomicRadiusFactor == this->AtomicRadiusFactor &&
+    p.UseMultiCylindersForBonds == this->UseMultiCylindersForBonds &&
+    p.BondRadius == this->BondRadius && p.UseAtomColorForBonds == this->UseAtomColorForBonds);
+}
+
+//----------------------------------------------------------------------------
+vtkSMPVMoleculeRepresentationProxy::vtkSMPVMoleculeRepresentationProxy()
+{
+  this->Presets[Preset::BallAndStick] = MapperParametersPreset{ true, true, 1, 0.3, true, 0.075,
+    true, "BallAndStick", "Ball and Stick" };
+  this->Presets[Preset::Liquorice] =
+    MapperParametersPreset{ true, true, 2, 0.15, false, 0.15, true, "Liquorice", "Liquorice" };
+  this->Presets[Preset::VanDerWaals] =
+    MapperParametersPreset{ true, false, 1, 1., true, 0.075, true, "VanDerWaals", "Van der Waals" };
+  this->Presets[Preset::Fast] =
+    MapperParametersPreset{ true, true, 2, 0.6, false, 0.075, false, "Fast", "Fast" };
+}
+
+//----------------------------------------------------------------------------
+void vtkSMPVMoleculeRepresentationProxy::SetPreset(int preset)
+{
+  if (this->Presets.count(preset) == 0 || preset == Preset::None)
+  {
+    return;
+  }
+
+  SM_SCOPED_TRACE(CallMethod)
+    .arg(this)
+    .arg("SetPreset")
+    .arg(this->GetPresetName(preset))
+    .arg("comment", "Set the preset");
+
+  const MapperParametersPreset& parameters = this->Presets[preset];
+  vtkSMPropertyHelper(this, "RenderAtoms").Set(parameters.RenderAtoms);
+  vtkSMPropertyHelper(this, "RenderBonds").Set(parameters.RenderBonds);
+  vtkSMPropertyHelper(this, "AtomicRadiusType").Set(parameters.AtomicRadiusType);
+  vtkSMPropertyHelper(this, "AtomicRadiusFactor").Set(parameters.AtomicRadiusFactor);
+  vtkSMPropertyHelper(this, "MultiCylindersForBonds").Set(parameters.UseMultiCylindersForBonds);
+  vtkSMPropertyHelper(this, "BondRadius").Set(parameters.BondRadius);
+  if (!parameters.UseAtomColorForBonds)
+  {
+    double color[3] = { 1., 1., 1. };
+    vtkSMPropertyHelper(this, "BondColor").Set(color, 3);
+  }
+  vtkSMPropertyHelper(this, "BondColorMode").Set(parameters.UseAtomColorForBonds ? 1 : 0);
+
+  this->UpdateVTKObjects();
+}
+
+//----------------------------------------------------------------------------
+void vtkSMPVMoleculeRepresentationProxy::SetPreset(const char* name)
+{
+  for (auto p : this->Presets)
+  {
+    if (std::strcmp(name, p.second.Name.c_str()) == 0)
+    {
+      this->SetPreset(p.first);
+      return;
+    }
+  }
+}
+
+//----------------------------------------------------------------------------
+const char* vtkSMPVMoleculeRepresentationProxy::GetPresetName(int preset)
+{
+  auto p = this->Presets.find(preset);
+  if (p != this->Presets.end())
+  {
+    return p->second.Name.c_str();
+  }
+
+  return "None";
+}
+
+//----------------------------------------------------------------------------
+const char* vtkSMPVMoleculeRepresentationProxy::GetPresetDisplayName(int preset)
+{
+  auto p = this->Presets.find(preset);
+  if (p != this->Presets.end())
+  {
+    return p->second.DisplayName.c_str();
+  }
+
+  return "(no preset)";
+}
+
+//----------------------------------------------------------------------------
+int vtkSMPVMoleculeRepresentationProxy::GetCurrentPreset()
+{
+  MapperParametersPreset p;
+  p.RenderAtoms = vtkSMUncheckedPropertyHelper(this, "RenderAtoms").GetAsInt();
+  p.RenderBonds = vtkSMUncheckedPropertyHelper(this, "RenderBonds").GetAsInt();
+  p.AtomicRadiusType = vtkSMUncheckedPropertyHelper(this, "AtomicRadiusType").GetAsDouble();
+  p.AtomicRadiusFactor = vtkSMUncheckedPropertyHelper(this, "AtomicRadiusFactor").GetAsDouble();
+  p.UseMultiCylindersForBonds =
+    vtkSMUncheckedPropertyHelper(this, "MultiCylindersForBonds").GetAsInt();
+  p.BondRadius = vtkSMUncheckedPropertyHelper(this, "BondRadius").GetAsDouble();
+  p.UseAtomColorForBonds = vtkSMUncheckedPropertyHelper(this, "BondColorMode").GetAsInt();
+
+  for (const auto& preset : this->Presets)
+  {
+    if (preset.second.IsSimilar(p))
+    {
+      return preset.first;
+    }
+  }
+
+  return Preset::None;
+}
+
+//----------------------------------------------------------------------------
+void vtkSMPVMoleculeRepresentationProxy::PrintSelf(ostream& os, vtkIndent indent)
+{
+  this->Superclass::PrintSelf(os, indent);
+}

ParaViewCore/ServerManager/Rendering/vtkSMPVMoleculeRepresentationProxy.h

+/*=========================================================================
+
+  Program:   ParaView
+  Module:    vtkSMPVMoleculeRepresentationProxy.h
+
+  Copyright (c) Kitware, Inc.
+  All rights reserved.
+  See Copyright.txt or http://www.paraview.org/HTML/Copyright.html for details.
+
+     This software is distributed WITHOUT ANY WARRANTY; without even
+     the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
+     PURPOSE.  See the above copyright notice for more information.
+
+=========================================================================*/
+/**
+ * @class   vtkSMPVMoleculeRepresentationProxy
+ * @brief vtkSMPVMoleculeRepresentationProxy is a representation proxy used for molecules.
+ *
+ * This class exposes a method to apply a preset onto molecule properties.
+ */
+
+#ifndef vtkSMPVMoleculeRepresentationProxy_h
+#define vtkSMPVMoleculeRepresentationProxy_h
+
+#include "vtkPVServerManagerRenderingModule.h" //needed for exports
+#include "vtkSMPVRepresentationProxy.h"
+
+#include <map> // for std::map
+
+struct MapperParametersPreset
+{
+  bool RenderAtoms;
+  bool RenderBonds;
+  int AtomicRadiusType;
+  double AtomicRadiusFactor;
+  bool UseMultiCylindersForBonds;
+  double BondRadius;
+  bool UseAtomColorForBonds;
+  std::string Name;
+  std::string DisplayName;
+
+  bool IsSimilar(const MapperParametersPreset& p) const;
+};
+
+class VTKPVSERVERMANAGERRENDERING_EXPORT vtkSMPVMoleculeRepresentationProxy
+  : public vtkSMPVRepresentationProxy
+{
+public:
+  static vtkSMPVMoleculeRepresentationProxy* New();
+  vtkTypeMacro(vtkSMPVMoleculeRepresentationProxy, vtkSMPVRepresentationProxy);
+  void PrintSelf(ostream& os, vtkIndent indent) override;
+
+  enum Preset
+  {
+    None = 0,
+    BallAndStick,
+    Liquorice,
+    VanDerWaals,
+    Fast,
+    NbOfPresets
+  };
+
+  //@{
+  /**
+   * Set Preset onto properties. If preset is None or 0, does nothing.
+   */
+  void SetPreset(int preset);
+  void SetPreset(const char* name);
+  //@}
+
+  /**
+   * Get the preset name. This name can be used with `SetPreset()` method.
+   */
+  const char* GetPresetName(int preset);
+
+  /**
+   * Get a display name for the preset.
+   */
+  const char* GetPresetDisplayName(int preset);
+
+  /**
+   * Get the current preset value.
+   */
+  int GetCurrentPreset();
+
+protected:
+  vtkSMPVMoleculeRepresentationProxy();
+  ~vtkSMPVMoleculeRepresentationProxy() override = default;
+
+private:
+  vtkSMPVMoleculeRepresentationProxy(const vtkSMPVMoleculeRepresentationProxy&) = delete;
+  void operator=(const vtkSMPVMoleculeRepresentationProxy&) = delete;
+
+  std::map<int, MapperParametersPreset> Presets;
+};
+
+#endif

ParaViewCore/ServerManager/SMApplication/Resources/views_and_representations.xml

@@ -6520,6 +6520,9 @@
         </DataTypeDomain>
         <Documentation>Set the input molecule for the
         representation.</Documentation>
+        <InputArrayDomain attribute_type="vertex"
+                          name="input_array"
+                          optional="1" />
       </InputProperty>
       <IntVectorProperty command="SetVisibility"
                          default_values="1"
@@ -6539,21 +6542,89 @@
           The opacity to use when rendering the model.
         </Documentation>
       </DoubleVectorProperty>
-      <IntVectorProperty command="SetMoleculeRenderMode"
-                         default_values="0"
-                         label="Render Mode"
-                         name="MoleculeRenderMode"
+      <IntVectorProperty command="SetRenderAtoms"
+                         default_values="1"
+                         name="RenderAtoms"
+                         number_of_elements="1">
+        <BooleanDomain name="bool" />
+        <Documentation>Set the visibility for the atoms.</Documentation>
+      </IntVectorProperty>
+      <DoubleVectorProperty command="SetAtomicRadiusScaleFactor"
+                            default_values="0.3"
+                            name="AtomicRadiusFactor"
+                            number_of_elements="1">
+        <DoubleRangeDomain max="3" min="0" name="range" />
+        <Documentation>The scale factor to apply on atom radius. Radius is expected to be in Angstrom. </Documentation>
+      </DoubleVectorProperty>
+      <IntVectorProperty command="SetAtomicRadiusType"
+                         default_values="1"
+                         label="Atomic Radius Type"
+                         name="AtomicRadiusType"
                          number_of_elements="1"
-                         panel_visibility="default">
+                         panel_visibility="advanced">
         <EnumerationDomain name="enum">
-          <Entry text="Ball and Stick"
+          <Entry text="Covalent"
                  value="0" />
-          <Entry text="Space Filling"
+          <Entry text="Van Der Waals"
                  value="1" />
-          <Entry text="Liquorice"
+          <Entry text="Unit"
                  value="2" />
+          <Entry text="Input Array"
+                 value="3" />
         </EnumerationDomain>
+        <Documentation>The radius type to use.</Documentation>
       </IntVectorProperty>
+      <StringVectorProperty name="AtomicRadiusArrayName"
+                            command="SetAtomicRadiusArray"
+                            number_of_elements="1"
+                            label="Atomic Radii Array"
+                            panel_visibility="advanced">
+        <ArrayListDomain  input_domain_name="input_array"
+                          attribute_type="Scalars"
+                          name="array_list">
+          <RequiredProperties>
+            <Property name="Input" function="Input"/>
+          </RequiredProperties>
+        </ArrayListDomain>
+        <Documentation>This property specifies the name of the input array to use for atom radii. Values are expected to be in Angstrom.
+        </Documentation>
+      </StringVectorProperty>
+      <IntVectorProperty command="SetRenderBonds"
+                         default_values="1"
+                         name="RenderBonds"
+                         number_of_elements="1">
+        <BooleanDomain name="bool" />
+        <Documentation>Set the visibility for the bonds.</Documentation>
+      </IntVectorProperty>
+      <DoubleVectorProperty command="SetBondRadius"
+                            default_values="0.075"
+                            name="BondRadius"
+                            number_of_elements="1">
+        <DoubleRangeDomain max="0.5" min="0" name="range" />
+        <Documentation>The bond radius, in Angstrom. </Documentation>
+      </DoubleVectorProperty>
+      <IntVectorProperty command="SetUseMultiCylindersForBonds"
+                         default_values="1"
+                         name="MultiCylindersForBonds"
+                         number_of_elements="1">
+        <BooleanDomain name="bool" />
+        <Documentation>Display multiple cylinders for high bond order.</Documentation>
+      </IntVectorProperty>
+      <IntVectorProperty command="SetBondColorMode"
+                         default_values="1"
+                         name="BondColorMode"
+                         number_of_elements="1">
+        <BooleanDomain name="bool" />
+        <Documentation>Use atom color for bonds. If disabled, use the custom bond color.</Documentation>
+      </IntVectorProperty>
+      <DoubleVectorProperty command="SetBondColor"
+                            default_values="1 1 1"
+                            name="BondColor"
+                            number_of_elements="3"
+                            panel_widget="color_selector"
+                            panel_visibility="default">
+        <Documentation>Sets the color for the bonds.</Documentation>
+      </DoubleVectorProperty>
       <StringVectorProperty command="SetInputArrayToProcess"
                             element_types="0 0 0 0 2"
                             name="ColorArrayName"
@@ -6581,18 +6652,9 @@
           <Group name="lookup_tables" />
         </ProxyGroupDomain>
       </ProxyProperty>
-      <IntVectorProperty command="SetUseCustomRadii"
-                         default_values="0"
-                         name="UseCustomRadii"
-                         label="Use 'radii' Array For Atomic Radii"
-                         number_of_elements="1">
-        <BooleanDomain name="bool" />
-        <Documentation>If true, the 'radii' array in the input VertexData will
-        be used to determine the atomic radii.</Documentation>
-      </IntVectorProperty>
       <!-- End of MoleculeRepresentation -->
     </RepresentationProxy>
-    <PVRepresentationProxy class="vtkPVCompositeRepresentation"
+    <PVMoleculeRepresentationProxy class="vtkPVCompositeRepresentation"
                            name="PVMoleculeRepresentation"
                            processes="client|renderserver|dataserver">
       <Documentation>PVRepresentationProxy for vtkMolecule.</Documentation>
@@ -6670,21 +6732,38 @@
                proxygroup="representations"
                proxyname="MoleculeRepresentation" />
         <ExposedProperties>
-          <PropertyGroup label="Molecule">
+          <PropertyGroup label="Coloring">
             <Property name="Opacity"
                       panel_visibility="default" />
-            <Property name="MoleculeRenderMode"
-                      panel_visibility="default" />
-            <Property name="UseCustomRadii"
-                      panel_visibility="default" />
             <Property name="ColorArrayName"
-                      panel_visibility="never" />
+                      panel_visibility="default" />
             <Property name="LookupTable"
                       panel_visibility="never" />
           </PropertyGroup>
+          <PropertyGroup label="Styling"
+                          panel_widget="MoleculeParameters">
+            <Property name="RenderAtoms"
+                      function="RenderAtoms" />
+            <Property name="AtomicRadiusFactor"
+                      function="AtomicRadiusFactor" />
+            <Property name="AtomicRadiusType"
+                      function="AtomicRadiusType"/>
+            <Proprety name="AtomicRadiusArrayName"
+                      function="AtomicRadiusArrayName"/>
+            <Property name="RenderBonds"
+                      function="RenderBonds" />
+            <Property name="BondRadius"
+                      function="BondRadius" />
+            <Property name="MultiCylindersForBonds"
+                      function="UseMultiCylindersForBonds"/>
+            <Property name="BondColorMode"
+                      function="BondColorMode"/>
+            <Property name="BondColor"
+                      function="BondColor"/>
+          </PropertyGroup>
         </ExposedProperties>
       </SubProxy>
-    </PVRepresentationProxy>
+    </PVMoleculeRepresentationProxy>
 
     <!-- =================================================================== -->
     <ChartRepresentationProxy base_proxygroup="representations"

Qt/ApplicationComponents/CMakeLists.txt

@@ -224,6 +224,8 @@ set (Module_SRCS
   pqMasterOnlyReaction.h
   pqModelTransformSupportBehavior.cxx
   pqModelTransformSupportBehavior.h
+  pqMoleculePropertyWidget.cxx
+  pqMoleculePropertyWidget.h
   pqMultiComponentsDecorator.cxx
   pqMultiComponentsDecorator.h
   pqObjectPickingBehavior.cxx
@@ -459,6 +461,7 @@ set (Module_MOC_HDRS
   pqManagePluginsReaction.h
   pqMasterOnlyReaction.h
   pqModelTransformSupportBehavior.h
+  pqMoleculePropertyWidget.h
   pqMultiComponentsDecorator.h
   pqObjectPickingBehavior.h
   pqOpacityTableModel.h
@@ -573,6 +576,7 @@ set (Module_UI_FILES
   Resources/UI/pqImplicitPlanePropertyWidget.ui
   Resources/UI/pqLinePropertyWidget.ui
   Resources/UI/pqMainControlsToolbar.ui
+  Resources/UI/pqMoleculePropertyWidget.ui
   Resources/UI/pqResetScalarRangeToDataOverTime.ui
   Resources/UI/pqSavePresetOptions.ui
   Resources/UI/pqSeriesEditorPropertyWidget.ui

Qt/ApplicationComponents/Resources/UI/pqMoleculePropertyWidget.ui

+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>MoleculePropertyWidget</class>
+ <widget class="QWidget" name="MoleculePropertyWidget">
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>301</width>
+    <height>251</height>
+   </rect>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <layout class="QGridLayout" name="wdgLayout" columnstretch="0,0">
+   <item row="1" column="0">
+    <widget class="QLabel" name="presetLabel">
+     <property name="text">
+      <string>Preset</string>
+     </property>
+    </widget>
+   </item>
+   <item row="1" column="1" colspan="3">
+    <widget class="QComboBox" name="preset"/>
+   </item>
+   <item row="2" column="0">
+    <widget class="QLabel" name="ShowAomsLabel">
+     <property name="text">
+      <string>Show Atoms </string>
+     </property>
+    </widget>
+   </item>
+   <item row="2" column="1">
+    <widget class="QCheckBox" name="showAtoms">
+     <property name="text">
+      <string/>
+     </property>
+     <property name="checked">
+      <bool>true</bool>
+     </property>
+    </widget>
+   </item>
+   <item row="3" column="0">
+    <widget class="QLabel" name="atomicRadiusTypeLabel">
+     <property name="text">
+      <string>Atom Radius type</string>
+     </property>
+    </widget>
+   </item>
+   <item row="3" column="1" colspan="3">
+    <widget class="QComboBox" name="atomicRadiusType"/>
+   </item>
+   <item row="4" column="0">
+    <widget class="QLabel" name="atomicRadiusFactorLabel">
+     <property name="text">
+      <string>Atom Radius Factor</string>
+     </property>
+    </widget>
+   </item>
+   <item row="4" column="1">
+    <widget class="pqDoubleRangeWidget" name="atomicRadiusFactor" native="true"/>
+   </item>
+   <item row="4" column="2">
+    <widget class="pqScaleByButton" name="scaleAtomicRadiusFactor" native="true"/>
+   </item>
+   <item row="4" column="3">
+    <widget class="QToolButton" name="resetAtomicRadiusFactor" native="true"/>
+   </item>
+   <item row="5" column="0">
+    <widget class="QLabel" name="atomicRadiusArrayNameLabel">
+     <property name="text">
+      <string>Atomic Radius Array</string>
+     </property>
+    </widget>
+   </item>
+   <item row="5" column="1" colspan="3">
+    <widget class="QComboBox" name="atomicRadiusArrayName"/>
+   </item>
+   <item row="6" column="0" colspan="3">
+    <widget class="Line" name="line">
+     <property name="orientation">
+      <enum>Qt::Horizontal</enum>
+     </property>
+    </widget>
+   </item>
+   <item row="7" column="0">
+    <widget class="QLabel" name="ShowBondsLabel">
+     <property name="text">
+      <string>Show Bonds</string>
+     </property>
+    </widget>
+   </item>
+   <item row="7" column="1">
+    <widget class="QCheckBox" name="showBonds">
+     <property name="text">
+      <string/>
+     </property>
+     <property name="checked">
+      <bool>true</bool>
+     </property>
+    </widget>
+   </item>
+   <item row="8" column="0">
+    <widget class="QLabel" name="bondRadiusLabel">
+     <property name="text">
+      <string>Bonds Radius</string>
+     </property>
+    </widget>
+   </item>