Class ValenceErrorChecker

java.lang.Object
chemaxon.checkers.AbstractStructureChecker
chemaxon.checkers.ValenceErrorChecker
All Implemented Interfaces:
StructureChecker, chemaxon.license.Licensable, PropertyChangeListener, Cloneable, EventListener

@PublicApi public class ValenceErrorChecker extends AbstractStructureChecker
A descendant of AtomChecker detecting atoms with invalid valences.
Since:
Marvin 5.3
See Also:
  • Field Details

    • PROPERTY_KEY_TRADITIONAL_N_ALLOWED

      public static final String PROPERTY_KEY_TRADITIONAL_N_ALLOWED
      This public constant String represents the name of the configuration file property which is responsible for traditional N representation is allowed
      Since:
      6.0
      See Also:
  • Constructor Details

    • ValenceErrorChecker

      public ValenceErrorChecker()
      Default constructor
    • ValenceErrorChecker

      public ValenceErrorChecker(Map<String,String> params)
      Parameterized constructor. If "traditionalNitrogen" parameter is given and its value is "true" traditional representation of N will not be valence error
      Parameters:
      params - a Map instance which contains String pairs. Key is the name of the parameter.
  • Method Details

    • setAllowTraditionalNitrogen

      public void setAllowTraditionalNitrogen(boolean traditionalNallowed)
      Sets if the checker should allow traditional N representation
      Parameters:
      traditionalNallowed - is a boolean instance
      Since:
      6.0
    • isAllowTraditionalNitrogen

      public boolean isAllowTraditionalNitrogen()
      Gets whether the checker allows traditional N representation
      Returns:
      whether the checker allows traditional N representation
    • check1

      protected StructureCheckerResult check1(Molecule molecule)
      Description copied from class: AbstractStructureChecker
      This method contains the current checking mechanism.
      Specified by:
      check1 in class AbstractStructureChecker
      Parameters:
      molecule - the Molecule instance to be checked for problems
      Returns:
      a StructureCheckerResult which represents the problem or null if no problem found