Class ConfigurationUtility

java.lang.Object
chemaxon.standardizer.configuration.ConfigurationUtility

@PublicApi public class ConfigurationUtility extends Object
Utility to manage standardizer configuration
Since:
6.0
  • Field Details

  • Constructor Details

    • ConfigurationUtility

      public ConfigurationUtility()
  • Method Details

    • filterGroups

      public static void filterGroups(StandardizerConfiguration configuration, String[] groups)
      Filters the action list of a configuration to a configuration containing only the actions that are in the target groups (or in all groups).
      Parameters:
      configuration - the target configuration
      groups - the target groups
    • setFinalClean

      @Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2025) public static void setFinalClean(StandardizerConfiguration configuration) throws IllegalArgumentException
      Deprecated, for removal: This API element is subject to removal in a future version.
      It's not required anymore.
      Sets final clean task: original molecule dimension, partial, optional.
      Parameters:
      configuration - the target standardizer configuration
      Throws:
      IllegalArgumentException - on invalid configuration
    • setFinalClean

      @Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2025) public static void setFinalClean(StandardizerConfiguration configuration, int dim) throws IllegalArgumentException
      Deprecated, for removal: This API element is subject to removal in a future version.
      It's not required anymore.
      Sets final clean task: partial, target-only.
      Parameters:
      configuration - the target standardizer configuration
      dim - is the clean dimension, set -1 for the original molecule dimension
      Throws:
      IllegalArgumentException - on invalid configuration
    • setFinalClean

      @Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2025) public static void setFinalClean(StandardizerConfiguration configuration, int dim, boolean partial) throws IllegalArgumentException
      Deprecated, for removal: This API element is subject to removal in a future version.
      It's not required anymore.
      Sets final clean task: target-only.
      Parameters:
      configuration - the target standardizer configuration
      dim - is the clean dimension, currently partial clean only works in 2D - if set to 3 then full clean is performed
      partial - is true if only the changing atoms should be cleaned, false if full clean is needed - if the clean dimension is different from the molecule dimension then always full clean is performed
      Throws:
      IllegalArgumentException - on invalid configuration