Interface VDWRadii


  • public interface VDWRadii
    • Field Summary

      Fields 
      Modifier and Type Field Description
      static float[] COVALENT_RADIUS
      These covalent single bond radii values were taken from the following source: 'Molecular Double-Bond Covalent Radii for Elements Li–E112', 2009, Pyykkö and Atsumi, doi: 10.1002/chem.200901472
      static float[] VDW_RADIUS
      VDW Radii indexed by atomic numbers, taken from DOI: 10.1039/c3dt50599e Santiago Alvarez: A cartography of the van der Waals territories Published on 01 May 2013 on http://pubs.rsc.org | doi:10.1039/C3DT50599E (in a few cases no value was given (marked ??), where we use estimated values)
    • Method Summary

      Static Methods 
      Modifier and Type Method Description
      static float getCovalentRadius​(int atomicNo)  
      static float getVDWRadius​(int atomicNo)  
    • Field Detail

      • VDW_RADIUS

        static final float[] VDW_RADIUS
        VDW Radii indexed by atomic numbers, taken from DOI: 10.1039/c3dt50599e Santiago Alvarez: A cartography of the van der Waals territories Published on 01 May 2013 on http://pubs.rsc.org | doi:10.1039/C3DT50599E (in a few cases no value was given (marked ??), where we use estimated values)
      • COVALENT_RADIUS

        static final float[] COVALENT_RADIUS
        These covalent single bond radii values were taken from the following source: 'Molecular Double-Bond Covalent Radii for Elements Li–E112', 2009, Pyykkö and Atsumi, doi: 10.1002/chem.200901472
    • Method Detail

      • getVDWRadius

        static float getVDWRadius​(int atomicNo)
      • getCovalentRadius

        static float getCovalentRadius​(int atomicNo)