Package chemaxon.checkers

Class ExplicitHydrogenChecker

java.lang.Object
chemaxon.checkers.AbstractStructureChecker
chemaxon.checkers.ExplicitHydrogenChecker
All Implemented Interfaces:
StructureChecker, chemaxon.license.Licensable, PropertyChangeListener, Cloneable, EventListener
@PublicApi public class ExplicitHydrogenChecker extends AbstractStructureChecker
A descendant of AtomChecker detecting explicit hydrogens.
Since:
Marvin 5.3

  • Field Details

    • PROPERTY_KEY_LONELY

      public static final String PROPERTY_KEY_LONELY
      This public constant String represents the name of the configuration file property which is responsible for searching lonely explicit hydrogens in the molecule
      Since:
      5.4
      See Also:

    • PROPERTY_KEY_CHARGED

      public static final String PROPERTY_KEY_CHARGED
      This public constant String represents the name of the configuration file property which is responsible for searching charged explicit hydrogens in the molecule
      Since:
      5.4
      See Also:

    • PROPERTY_KEY_MAPPED

      public static final String PROPERTY_KEY_MAPPED
      This public constant String represents the name of the configuration file property which is responsible for searching mapped explicit hydrogens in the molecule
      Since:
      5.4
      See Also:

    • PROPERTY_KEY_ISOTOPIC

      public static final String PROPERTY_KEY_ISOTOPIC
      This public constant String represents the name of the configuration file property which is responsible for searching isotopic explicit hydrogens in the molecule
      Since:
      5.4
      See Also:

    • PROPERTY_KEY_RADICAL

      public static final String PROPERTY_KEY_RADICAL
      This public constant String represents the name of the configuration file property which is responsible for searching radical explicit hydrogens in the molecule
      Since:
      5.4
      See Also:

    • PROPERTY_KEY_WEDGED

      public static final String PROPERTY_KEY_WEDGED
      This public constant String represents the name of the configuration file property which is responsible for searching wedged explicit hydrogens in the molecule
      Since:
      5.4
      See Also:

    • PROPERTY_KEY_H_CONNECTED

      public static final String PROPERTY_KEY_H_CONNECTED
      This public constant String represents the name of the configuration file property which is responsible for searching H connected property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_POLYMER_END_GROUP

      public static final String PROPERTY_KEY_POLYMER_END_GROUP
      This public constant String represents the name of the configuration file property which is responsible for searching Polymer end group property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_SGROUP_END

      public static final String PROPERTY_KEY_SGROUP_END
      This public constant String represents the name of the configuration file property which is responsible for searching S-group end property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_SGROUP

      public static final String PROPERTY_KEY_SGROUP
      This public constant String represents the name of the configuration file property which is responsible for searching S-group property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_VALENCE_ERROR

      public static final String PROPERTY_KEY_VALENCE_ERROR
      This public constant String represents the name of the configuration file property which is responsible for searching Valence error property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_BRIDGEHEAD

      public static final String PROPERTY_KEY_BRIDGEHEAD
      This public constant String represents the name of the configuration file property which is responsible for searching Bridgehead property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_SEARCH_CHARGED

      public static final String PROPERTY_KEY_SEARCH_CHARGED
      This public constant String represents the name of the property which is responsible for searching charged explicit hydrogens in the molecule
      Since:
      5.7
      See Also:

    • PROPERTY_KEY_SEARCH_ISOTOPIC

      public static final String PROPERTY_KEY_SEARCH_ISOTOPIC
      This public constant String represents the name of the property which is responsible for searching isotopic explicit hydrogens in the molecule
      Since:
      5.7
      See Also:

    • PROPERTY_KEY_SEARCH_LONELY

      public static final String PROPERTY_KEY_SEARCH_LONELY
      This public constant String represents the name of the property which is responsible for searching lonely explicit hydrogens in the molecule
      Since:
      5.7
      See Also:

    • PROPERTY_KEY_SEARCH_MAPPED

      public static final String PROPERTY_KEY_SEARCH_MAPPED
      This public constant String represents the name of the property which is responsible for searching mapped explicit hydrogens in the molecule
      Since:
      5.7
      See Also:

    • PROPERTY_KEY_SEARCH_RADICAL

      public static final String PROPERTY_KEY_SEARCH_RADICAL
      This public constant String represents the name of the property which is responsible for searching radical explicit hydrogens in the molecule
      Since:
      5.7
      See Also:

    • PROPERTY_KEY_SEARCH_WEDGED

      public static final String PROPERTY_KEY_SEARCH_WEDGED
      This public constant String represents the name of the property which is responsible for searching wedged explicit hydrogens in the molecule
      Since:
      5.7
      See Also:

    • PROPERTY_KEY_SEARCH_H_CONNECTED

      public static final String PROPERTY_KEY_SEARCH_H_CONNECTED
      This public constant String represents the name of the property which is responsible for searching H connected property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_SEARCH_POLYMER_END_GROUP

      public static final String PROPERTY_KEY_SEARCH_POLYMER_END_GROUP
      This public constant String represents the name of the property which is responsible for searchingPolymer end group property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_SEARCH_SGROUP_END

      public static final String PROPERTY_KEY_SEARCH_SGROUP_END
      This public constant String represents the name of the property which is responsible for searchingS-group end property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_SEARCH_SGROUP

      public static final String PROPERTY_KEY_SEARCH_SGROUP
      This public constant String represents the name of the property which is responsible for searchingS-group property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_SEARCH_VALENCE_ERROR

      public static final String PROPERTY_KEY_SEARCH_VALENCE_ERROR
      This public constant String represents the name of the property which is responsible for searchingValence error property
      Since:
      5.11
      See Also:

    • PROPERTY_KEY_SEARCH_BRIDGEHEAD

      public static final String PROPERTY_KEY_SEARCH_BRIDGEHEAD
      This public constant String represents the name of the property which is responsible for searchingBridgehead property
      Since:
      5.11
      See Also:

  • Constructor Details

    • ExplicitHydrogenChecker

      public ExplicitHydrogenChecker()
      Default constructor All types of explicit hydrogens will be searched.

    • ExplicitHydrogenChecker

      public ExplicitHydrogenChecker(Map<String,String> params)
      Parameterized constructor If map contains lonely/charged/mapped/isotopic/radical/wedged keys with value false then hydrogens with these types won't be detected.
      Parameters:
      params - a Map instance which contains String pairs. Key is the name of the parameter.

  • Method Details

    • isSearchLonely

      public boolean isSearchLonely()
      Returns if the checker search for lonely explicit hydrogens
      Returns:
      if the checker search for lonely explicit hydrogens

    • isSearchCharged

      public boolean isSearchCharged()
      Returns if the checker search for charged explicit hydrogens
      Returns:
      if the checker search for charged explicit hydrogens

    • isSearchMapped

      public boolean isSearchMapped()
      Returns if the checker search for mapped explicit hydrogens
      Returns:
      if the checker search for mapped explicit hydrogens

    • isSearchIsotopic

      public boolean isSearchIsotopic()
      Returns if the checker search for isotopic explicit hydrogens
      Returns:
      if the checker search for isotopic explicit hydrogens

    • isSearchRadical

      public boolean isSearchRadical()
      Returns if the checker search for radical explicit hydrogens
      Returns:
      if the checker search for radical explicit hydrogens

    • isSearchWedged

      public boolean isSearchWedged()
      Returns if the checker search for wedged explicit hydrogens
      Returns:
      if the checker search for wedged explicit hydrogens

    • isSearchHConnected

      public boolean isSearchHConnected()
      Returns if the checker search for H connected explicit hydrogens
      Returns:
      if the checker search for H connected explicit hydrogens

    • isSearchPolymerEndGroup

      public boolean isSearchPolymerEndGroup()
      Returns if the checker search for polymer end group explicit hydrogens
      Returns:
      if the checker search for polymer end group explicit hydrogens

    • isSearchSgroupEnd

      public boolean isSearchSgroupEnd()
      Returns if the checker search for S-group end explicit hydrogens
      Returns:
      if the checker search for S-group end explicit hydrogens

    • isSearchSgroup

      public boolean isSearchSgroup()
      Returns if the checker search for S-group explicit hydrogens
      Returns:
      if the checker search for S-group explicit hydrogens

    • isSearchValenceError

      public boolean isSearchValenceError()
      Returns if the checker search for valence errored explicit hydrogens
      Returns:
      if the checker search for valence errored explicit hydrogens

    • isSearchBridgehead

      public boolean isSearchBridgehead()
      Returns if the checker search for bridgehead explicit hydrogens
      Returns:
      if the checker search for bridgehead explicit hydrogens

    • setSearchLonely

      public void setSearchLonely(boolean searchLonely)
      Sets whether the checker search for lonely explicit hydrogens
      Parameters:
      searchLonely - whether the checker search for lonely explicit hydrogens

    • setSearchCharged

      public void setSearchCharged(boolean searchCharged)
      Sets whether the checker search for charged explicit hydrogens
      Parameters:
      searchCharged - whether the checker search for charged explicit hydrogens

    • setSearchMapped

      public void setSearchMapped(boolean searchMapped)
      Sets whether the checker search for mapped explicit hydrogens
      Parameters:
      searchMapped - whether the checker search for mapped explicit hydrogens

    • setSearchIsotopic

      public void setSearchIsotopic(boolean searchIsotopic)
      Sets whether the checker search for isotopic explicit hydrogens
      Parameters:
      searchIsotopic - whether the checker search for isotopic explicit hydrogens

    • setSearchRadical

      public void setSearchRadical(boolean searchRadical)
      Sets whether the checker search for radical explicit hydrogens
      Parameters:
      searchRadical - whether the checker search for radical explicit hydrogens

    • setSearchWedged

      public void setSearchWedged(boolean searchWedged)
      Sets whether the checker search for wedged explicit hydrogens
      Parameters:
      searchWedged - whether the checker search for wedged explicit hydrogens

    • setSearchHConnected

      public void setSearchHConnected(boolean searchHConnected)
      Sets whether the checker search for H connected explicit hydrogens
      Parameters:
      searchHConnected - whether the checker search for H connected explicit hydrogens

    • setSearchPolymerEndGroup

      public void setSearchPolymerEndGroup(boolean searchPolymerEndGroup)
      Sets whether the checker search for polymer end group explicit hydrogens
      Parameters:
      searchPolymerEndGroup - whether the checker search for polymer end group explicit hydrogens

    • setSearchSgroupEnd

      public void setSearchSgroupEnd(boolean searchSgroupEnd)
      Sets whether the checker search for S-group end explicit hydrogens
      Parameters:
      searchSgroupEnd - whether the checker search for S-group end explicit hydrogens

    • setSearchSgroup

      public void setSearchSgroup(boolean searchSgroup)
      Sets whether the checker search for S-group explicit hydrogens
      Parameters:
      searchSgroup - whether the checker search for S-group explicit hydrogens

    • setSearchValenceError

      public void setSearchValenceError(boolean searchValenceError)
      Sets whether the checker search for valence errored explicit hydrogens
      Parameters:
      searchValenceError - whether the checker search for valence errored explicit hydrogens

    • setSearchBridgehead

      public void setSearchBridgehead(boolean searchBridgehead)
      Sets whether the checker search for bridgehead explicit hydrogens
      Parameters:
      searchBridgehead - whether the checker search for bridgehead explicit hydrogens

    • check1

      protected StructureCheckerResult check1(Molecule molecule)
      Detects implicitizable hydrogen atoms.
      Specified by:
      check1 in class AbstractStructureChecker
      Parameters:
      molecule - the Molecule instance to be checked for problems
      Returns:
      checker result containing implicitizable hydrogen atoms.

    • equals

      public boolean equals(Object obj)
      Overrides:
      equals in class AbstractStructureChecker

    • hashCode

      public int hashCode()
      Overrides:
      hashCode in class AbstractStructureChecker