Class RingStrainErrorChecker

    • Field Detail

      • 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:
        Constant Field Values
      • 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:
        Constant Field Values
      • PROPERTY_KEY_DETECT_TRIPLE_BONDS

        public static final String PROPERTY_KEY_DETECT_TRIPLE_BONDS
        Property key detect triple bonds
        See Also:
        Constant Field Values
    • Constructor Detail

      • 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 Detail

      • 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