Package qsardes.descriptor

Class DescriptorElectrTopolStateIndex

java.lang.Object
qsardes.descriptor.DescriptorElectrTopolStateIndex
All Implemented Interfaces:
Descriptor
Direct Known Subclasses:
QsarMEElectrTopolStateIndex, QsarWBElectrTopolStateIndex
public abstract class DescriptorElectrTopolStateIndex extends Object implements Descriptor
Electrotopological state index descriptors abstract class.

  • Constructor Details

    • DescriptorElectrTopolStateIndex

      protected DescriptorElectrTopolStateIndex()

  • 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_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_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_min

      protected abstract double get_min()

    • get_max

      protected abstract double get_max()

    • get_min_estate

      protected abstract double get_min_estate(double gmin, double estate, boolean is_first_value)

    • get_max_estate

      protected abstract double get_max_estate(double gmax, double estate, boolean is_first_value)

    • create_descr_min_map

      protected abstract Map<String,String> create_descr_min_map()

    • create_descr_max_map

      protected abstract Map<String,String> create_descr_max_map()

    • get_intrinsic_state

      protected abstract Molecule.IntrState get_intrinsic_state(Molecule mol, org.openscience.cdk.interfaces.IAtom atom)

    • get_original_kier_name

      protected String get_original_kier_name(String ematch_name)

    • get_all_misc_name_list

      protected List<String> get_all_misc_name_list()

    • get_min_out_map

      protected Map<String,String> get_min_out_map()

    • get_max_out_map

      protected Map<String,String> get_max_out_map()

    • get_chem_estate_values_map

      protected Map<String,List<String>> get_chem_estate_values_map()