Package chemaxon.checkers

Class RingStrainErrorChecker

java.lang.Object
chemaxon.checkers.AbstractStructureChecker
chemaxon.checkers.RingStrainErrorChecker
All Implemented Interfaces:
StructureChecker, chemaxon.license.Licensable, PropertyChangeListener, Cloneable, EventListener
@PublicApi public class RingStrainErrorChecker extends AbstractStructureChecker
RingStrainErrorChecker detects triple bonds, trans or cumulated double bonds small rings containing less than 8 atoms.
Since:
Marvin 5.4

  • Field Details

    • PROPERTY_KEY_DETECT_TRANS_DOUBLE_BONDS

      public static final String PROPERTY_KEY_DETECT_TRANS_DOUBLE_BONDS
      Property key detect trans double bonds
      Since:
      5.7
      See Also:

    • PROPERTY_KEY_DETECT_CUMULATED_DOUBLE_BONDS

      public static final String PROPERTY_KEY_DETECT_CUMULATED_DOUBLE_BONDS
      Property key detect cumulated double bonds
      Since:
      5.7
      See Also:

    • PROPERTY_KEY_DETECT_TRIPLE_BONDS

      public static final String PROPERTY_KEY_DETECT_TRIPLE_BONDS
      Property key detect triple bonds
      See Also:

  • Constructor Details

    • RingStrainErrorChecker

      public RingStrainErrorChecker()
      Default constructor

    • RingStrainErrorChecker

      public RingStrainErrorChecker(Map<String,String> params)
      Parameterized constructor.
      If params contains "transDoubleBond"/"cumulatedDoubleBond"/"tripelBond" key with value "true" then trans double bonds/cummulated double bonds/triple bonds will be checked.
      Parameters:
      params - is a Map instance contains String pairs. Key is the name of the parameter

  • Method Details

    • 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

    • isDetectTransDoubleBonds

      public boolean isDetectTransDoubleBonds()
      Returns the detectTransDoubleBonds
      Returns:
      the detectTransDoubleBonds

    • isDetectCumulatedDoubleBonds

      public boolean isDetectCumulatedDoubleBonds()
      Returns the detectCummulatedDoubleBonds
      Returns:
      the detectCummulatedDoubleBonds

    • isDetectTripleBonds

      public boolean isDetectTripleBonds()
      Returns the detectTripleBonds
      Returns:
      the detectTripleBonds

    • isTransDoubleBond

      public boolean isTransDoubleBond()
      Returns the detectTransDoubleBonds
      Returns:
      the detectTransDoubleBonds

    • isCumulatedDoubleBond

      public boolean isCumulatedDoubleBond()
      Returns the detectCummulatedDoubleBonds
      Returns:
      the detectCummulatedDoubleBonds

    • isTripleBond

      public boolean isTripleBond()
      Returns the detectTripleBonds
      Returns:
      the detectTripleBonds

    • setDetectTransDoubleBonds

      public void setDetectTransDoubleBonds(boolean detectTransDoubleBonds)
      Sets the detectTransDoubleBonds
      Parameters:
      detectTransDoubleBonds - is true if trans double bonds should be detected, false otherwise
      Since:
      5.7

    • setDetectCumulatedDoubleBonds

      public void setDetectCumulatedDoubleBonds(boolean detectCumulatedDoubleBonds)
      Sets the detectCumulatedDoubleBonds property
      Parameters:
      detectCumulatedDoubleBonds - is true if cumulated double bonds should be detected, false otherwise
      Since:
      5.7

    • setDetectTripleBonds

      public void setDetectTripleBonds(boolean detectTripleBonds)
      Sets the detectTripleBonds property
      Parameters:
      detectTripleBonds - is true if triple bonds should be detected, false otherwise
      Since:
      5.7