Changeset 3839 for trunk/packages/vizservers/vtkvis/Molecule.h

Timestamp:

Jul 25, 2013 2:07:37 PM (11 years ago)

Author:

ldelgass

Message:

Add automatic bond generation to VTK molecules: if no bonds are specified (as
lines in VTK file), computes simple single bonds based only on covalent radii.
DataSets? must include the element array for bonds to be computed.

File:

• trunk/packages/vizservers/vtkvis/Molecule.h (modified) (1 diff)

trunk/packages/vizservers/vtkvis/Molecule.h

@@ -190 +190 @@
     static void addRadiusArray(vtkDataSet *dataSet, AtomScaling scaling, double scaleFactor);
 
+    static int computeBonds(vtkDataSet *dataSet, float tolerance = 0.45f);
+
     float _bondColor[3];
     double _radiusScale;