public class ExplicitHydrogenChecker extends AbstractStructureChecker
AtomChecker
detecting explicit hydrogens.Modifier and Type | Field and Description |
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static String |
PROPERTY_KEY_BRIDGEHEAD
This public constant
String represents the name of the
configuration file property which is responsible for searching Bridgehead
property |
static 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 |
static 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 |
static 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 |
static 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 |
static 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 |
static 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 |
static 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 |
static String |
PROPERTY_KEY_SEARCH_BRIDGEHEAD
This public constant
String represents the name of the property
which is responsible for searchingBridgehead property |
static 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 |
static String |
PROPERTY_KEY_SEARCH_H_CONNECTED
This public constant
String represents the name of the property
which is responsible for searching H connected property |
static 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 |
static 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 |
static 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 |
static 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 |
static 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 |
static String |
PROPERTY_KEY_SEARCH_SGROUP
This public constant
String represents the name of the property
which is responsible for searchingS-group property |
static String |
PROPERTY_KEY_SEARCH_SGROUP_END
This public constant
String represents the name of the property
which is responsible for searchingS-group end property |
static String |
PROPERTY_KEY_SEARCH_VALENCE_ERROR
This public constant
String represents the name of the property
which is responsible for searchingValence error property |
static 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 |
static String |
PROPERTY_KEY_SGROUP
This public constant
String represents the name of the
configuration file property which is responsible for searching S-group
property |
static 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 |
static 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 |
static 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 |
errorType, propertyChangeSupport
PROPERTY_KEY_VALID
Constructor and Description |
---|
ExplicitHydrogenChecker()
Default constructor All types of explicit hydrogens will be searched.
|
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.
|
Modifier and Type | Method and Description |
---|---|
protected StructureCheckerResult |
check1(Molecule molecule)
Detects implicitizable hydrogen atoms.
|
boolean |
equals(Object obj) |
int |
hashCode() |
boolean |
isSearchBridgehead()
Returns if the checker search for bridgehead explicit hydrogens
|
boolean |
isSearchCharged()
Returns if the checker search for charged explicit hydrogens
|
boolean |
isSearchHConnected()
Returns if the checker search for H connected explicit hydrogens
|
boolean |
isSearchIsotopic()
Returns if the checker search for isotopic explicit hydrogens
|
boolean |
isSearchLonely()
Returns if the checker search for lonely explicit hydrogens
|
boolean |
isSearchMapped()
Returns if the checker search for mapped explicit hydrogens
|
boolean |
isSearchPolymerEndGroup()
Returns if the checker search for polymer end group explicit hydrogens
|
boolean |
isSearchRadical()
Returns if the checker search for radical explicit hydrogens
|
boolean |
isSearchSgroup()
Returns if the checker search for S-group explicit hydrogens
|
boolean |
isSearchSgroupEnd()
Returns if the checker search for S-group end explicit hydrogens
|
boolean |
isSearchValenceError()
Returns if the checker search for valence errored explicit hydrogens
|
boolean |
isSearchWedged()
Returns if the checker search for wedged explicit hydrogens
|
void |
setSearchBridgehead(boolean searchBridgehead)
Sets whether the checker search for bridgehead explicit hydrogens
|
void |
setSearchCharged(boolean searchCharged)
Sets whether the checker search for charged explicit hydrogens
|
void |
setSearchHConnected(boolean searchHConnected)
Sets whether the checker search for H connected explicit hydrogens
|
void |
setSearchIsotopic(boolean searchIsotopic)
Sets whether the checker search for isotopic explicit hydrogens
|
void |
setSearchLonely(boolean searchLonely)
Sets whether the checker search for lonely explicit hydrogens
|
void |
setSearchMapped(boolean searchMapped)
Sets whether the checker search for mapped explicit hydrogens
|
void |
setSearchPolymerEndGroup(boolean searchPolymerEndGroup)
Sets whether the checker search for polymer end group explicit hydrogens
|
void |
setSearchRadical(boolean searchRadical)
Sets whether the checker search for radical explicit hydrogens
|
void |
setSearchSgroup(boolean searchSgroup)
Sets whether the checker search for S-group explicit hydrogens
|
void |
setSearchSgroupEnd(boolean searchSgroupEnd)
Sets whether the checker search for S-group end explicit hydrogens
|
void |
setSearchValenceError(boolean searchValenceError)
Sets whether the checker search for valence errored explicit hydrogens
|
void |
setSearchWedged(boolean searchWedged)
Sets whether the checker search for wedged explicit hydrogens
|
addPropertyChangeListener, addPropertyChangeListener, check, clone, cloneItem, convertResult, expandMolecule, getDescription, getDescriptor, getEditorClassName, getErrorCode, getErrorDescription, getErrorType, getHelpText, getIcon, getLocalMenuName, getName, isAvailable, isLicensed, isValid, propertyChange, removePropertyChangeListener, removePropertyChangeListener, setDescription, setHelpText, setIcon, setLicenseEnvironment, setLocalMenuName, setMoreErrorMessage, setName, setNoErrorMessage, setOneErrorMessage, toString
public static final String PROPERTY_KEY_LONELY
String
represents the name of the
configuration file property which is responsible for searching lonely
explicit hydrogens in the moleculepublic static final String PROPERTY_KEY_CHARGED
String
represents the name of the
configuration file property which is responsible for searching charged
explicit hydrogens in the moleculepublic static final String PROPERTY_KEY_MAPPED
String
represents the name of the
configuration file property which is responsible for searching mapped
explicit hydrogens in the moleculepublic static final String PROPERTY_KEY_ISOTOPIC
String
represents the name of the
configuration file property which is responsible for searching isotopic
explicit hydrogens in the moleculepublic static final String PROPERTY_KEY_RADICAL
String
represents the name of the
configuration file property which is responsible for searching radical
explicit hydrogens in the moleculepublic static final String PROPERTY_KEY_WEDGED
String
represents the name of the
configuration file property which is responsible for searching wedged
explicit hydrogens in the moleculepublic static final String PROPERTY_KEY_H_CONNECTED
String
represents the name of the
configuration file property which is responsible for searching H
connected propertypublic static final String PROPERTY_KEY_POLYMER_END_GROUP
String
represents the name of the
configuration file property which is responsible for searching Polymer
end group propertypublic static final String PROPERTY_KEY_SGROUP_END
String
represents the name of the
configuration file property which is responsible for searching S-group
end propertypublic static final String PROPERTY_KEY_SGROUP
String
represents the name of the
configuration file property which is responsible for searching S-group
propertypublic static final String PROPERTY_KEY_VALENCE_ERROR
String
represents the name of the
configuration file property which is responsible for searching Valence
error propertypublic static final String PROPERTY_KEY_BRIDGEHEAD
String
represents the name of the
configuration file property which is responsible for searching Bridgehead
propertypublic static final String PROPERTY_KEY_SEARCH_CHARGED
String
represents the name of the property
which is responsible for searching charged explicit hydrogens in the
moleculepublic static final String PROPERTY_KEY_SEARCH_ISOTOPIC
String
represents the name of the property
which is responsible for searching isotopic explicit hydrogens in the
moleculepublic static final String PROPERTY_KEY_SEARCH_LONELY
String
represents the name of the property
which is responsible for searching lonely explicit hydrogens in the
moleculepublic static final String PROPERTY_KEY_SEARCH_MAPPED
String
represents the name of the property
which is responsible for searching mapped explicit hydrogens in the
moleculepublic static final String PROPERTY_KEY_SEARCH_RADICAL
String
represents the name of the property
which is responsible for searching radical explicit hydrogens in the
moleculepublic static final String PROPERTY_KEY_SEARCH_WEDGED
String
represents the name of the property
which is responsible for searching wedged explicit hydrogens in the
moleculepublic static final String PROPERTY_KEY_SEARCH_H_CONNECTED
String
represents the name of the property
which is responsible for searching H connected propertypublic static final String PROPERTY_KEY_SEARCH_POLYMER_END_GROUP
String
represents the name of the property
which is responsible for searchingPolymer end group propertypublic static final String PROPERTY_KEY_SEARCH_SGROUP_END
String
represents the name of the property
which is responsible for searchingS-group end propertypublic static final String PROPERTY_KEY_SEARCH_SGROUP
String
represents the name of the property
which is responsible for searchingS-group propertypublic static final String PROPERTY_KEY_SEARCH_VALENCE_ERROR
String
represents the name of the property
which is responsible for searchingValence error propertypublic static final String PROPERTY_KEY_SEARCH_BRIDGEHEAD
String
represents the name of the property
which is responsible for searchingBridgehead propertypublic ExplicitHydrogenChecker()
public ExplicitHydrogenChecker(Map<String,String> params)
params
- a Map
instance which contains String pairs. Key is the
name of the parameter.public boolean isSearchLonely()
public boolean isSearchCharged()
public boolean isSearchMapped()
public boolean isSearchIsotopic()
public boolean isSearchRadical()
public boolean isSearchWedged()
public boolean isSearchHConnected()
public boolean isSearchPolymerEndGroup()
public boolean isSearchSgroupEnd()
public boolean isSearchSgroup()
public boolean isSearchValenceError()
public boolean isSearchBridgehead()
public void setSearchLonely(boolean searchLonely)
searchLonely
- whether the checker search for lonely explicit hydrogenspublic void setSearchCharged(boolean searchCharged)
searchCharged
- whether the checker search for charged explicit hydrogenspublic void setSearchMapped(boolean searchMapped)
searchMapped
- whether the checker search for mapped explicit hydrogenspublic void setSearchIsotopic(boolean searchIsotopic)
searchIsotopic
- whether the checker search for isotopic explicit hydrogenspublic void setSearchRadical(boolean searchRadical)
searchRadical
- whether the checker search for radical explicit hydrogenspublic void setSearchWedged(boolean searchWedged)
searchWedged
- whether the checker search for wedged explicit hydrogenspublic void setSearchHConnected(boolean searchHConnected)
searchHConnected
- whether the checker search for H connected explicit hydrogenspublic void setSearchPolymerEndGroup(boolean searchPolymerEndGroup)
searchPolymerEndGroup
- whether the checker search for polymer end group explicit
hydrogenspublic void setSearchSgroupEnd(boolean searchSgroupEnd)
searchSgroupEnd
- whether the checker search for S-group end explicit hydrogenspublic void setSearchSgroup(boolean searchSgroup)
searchSgroup
- whether the checker search for S-group explicit hydrogenspublic void setSearchValenceError(boolean searchValenceError)
searchValenceError
- whether the checker search for valence errored explicit
hydrogenspublic void setSearchBridgehead(boolean searchBridgehead)
searchBridgehead
- whether the checker search for bridgehead explicit hydrogensprotected StructureCheckerResult check1(Molecule molecule)
check1
in class AbstractStructureChecker
molecule
- the Molecule
instance to be checked for problemspublic boolean equals(Object obj)
equals
in class AbstractStructureChecker
public int hashCode()
hashCode
in class AbstractStructureChecker