Package qsardes.descriptor

Class DescriptorTopologicalCharge

java.lang.Object
qsardes.descriptor.DescriptorTopologicalCharge
All Implemented Interfaces:
Descriptor
Direct Known Subclasses:
QsarMETopologicalCharge, QsarWBTopologicalCharge
public abstract class DescriptorTopologicalCharge extends Object implements Descriptor
Topological charge descriptors abstract class.

  • Constructor Details

    • DescriptorTopologicalCharge

      protected DescriptorTopologicalCharge()

  • Method Details

    • toString

      public String toString()
      Overrides:
      toString in class Object

    • get_descriptor_type

      public DescriptorType get_descriptor_type()
      Description copied from interface: Descriptor
      Gets the descriptor class type.
      Specified by:
      get_descriptor_type in interface Descriptor
      Returns:
      Descriptor class type.

    • get_descriptor_values

      public Map<String,String> get_descriptor_values(AbstractMoleculeBuilder mol_build)
      Description copied from interface: Descriptor
      Calculates descriptors values.
      Specified by:
      get_descriptor_values in interface Descriptor
      Parameters:
      mol_build - Molecular builder representation.
      Returns:
      Descriptor values mapped as name:value.

    • get_descriptor_names

      public List<String> get_descriptor_names()
      Description copied from interface: Descriptor
      Gets descriptors names.
      Specified by:
      get_descriptor_names in interface Descriptor
      Returns:
      Descriptor names.

    • get_topol_charge_index

      protected abstract double[] get_topol_charge_index(double[][] charge_term_matr, int[][] topo_matr)

    • calc_mean_topol_charge_index

      protected abstract void calc_mean_topol_charge_index(double[] topol_charge_index, int[][] topo_matr)

    • get_vert_num

      protected abstract double[] get_vert_num(int[][] topo_matr) throws NumberFormatException
      Throws:
      NumberFormatException

    • get_ggi_map

      protected Map<String,String> get_ggi_map()

    • get_jgi_map

      protected Map<String,String> get_jgi_map()

    • get_jgt_map

      protected Map<String,String> get_jgt_map()

    • get_order_list

      protected List<String> get_order_list()

    • build_name

      protected String build_name(String name, String order)