Class: Isotope

Isotope

new Isotope(symbolOrAtomicNumber, massNumber)

Represent an isotope in periodical table.
Parameters:
Name Type Description
symbolOrAtomicNumber Variant Symbol(String) or atomic number(Int) of isotope.
massNumber Int Mass number of isotope.
Properties:
Name Type Description
massNumber Int The mass number of isotope. Read only. Setting to null means a genenral element.
exactMass Float Read only.
naturalAbundance Float Read only.
isotopeAlias String Alias of isotope (such as D for H2). Read only.
Source:

Extends

Members

(static, constant) UNSET_MASSNUMBER

Indicate the mass number is unset and this is a general element.
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Methods

(static) getIsotopeId(symbolOrAtomicNumber, massNumber) → {String}

Get an unique id for isotope.
Parameters:
Name Type Description
symbolOrAtomicNumber Variant
massNumber Int
Source:
Returns:
Type
String

(static) isMassNumberAvailable(symbolOrAtomicNumber, massNumber) → {Bool}

Check if mass number is legal for an element
Parameters:
Name Type Description
symbolOrAtomicNumber Varaint Element symbol(String) or atomic number(Integer).
massNumber Int
Source:
Returns:
Type
Bool

appendMarker(marker)

Attach a marker to this object. If marker already exists, nothing will be done.
Parameters:
Name Type Description
marker Kekule.ChemObject
Inherited From:
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clearMarkers()

Remove all attached markers.
Inherited From:
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fetchMarkerOfType(classType, canCreate, exactMatch, defProps) → {Kekule.ChemObject}

Get attached marker of classType. If no such a marker currently and canCreate is true, a new marker will be created.
Parameters:
Name Type Description
classType Class
canCreate Bool
exactMatch Bool If true, only marker of classType (not its descendants) should be returned.
defProps Hash If create a new marker, those prop values will be applied.
Inherited From:
Source:
Returns:
Type
Kekule.ChemObject

getElementInfo(symbolOrAtomicNumber)

Get element info of symbolOrAtomicNumber. Support pseudo element.
Parameters:
Name Type Description
symbolOrAtomicNumber Object
Inherited From:
Source:

getIsotopeId() → {String}

Get an unique id for current isotope.
Source:
Returns:
Type
String

getMarkerAt(index) → {Kekule.ChemObject}

Get attached marker at index.
Parameters:
Name Type Description
index Int
Inherited From:
Source:
Returns:
Type
Kekule.ChemObject

getMarkerCount() → {Int}

Return count of attached markers.
Inherited From:
Source:
Returns:
Type
Int

getMarkerOfType(classType, exactMatch) → {Kekule.ChemObject}

Returns the first child marker of a specified class type.
Parameters:
Name Type Description
classType Class
exactMatch Bool If true, only marker of classType (not its descendants) should be returned.
Inherited From:
Source:
Returns:
Type
Kekule.ChemObject

getMarkersOfType(classType, exactMatch) → {Array}

Returns all child markers of a specified class type.
Parameters:
Name Type Description
classType Class
exactMatch Bool If true, only markers of classType (not its descendants) should be returned.
Inherited From:
Source:
Returns:
Type
Array

getTheoreticValence() → {Int}

Roughly get the theoretic valence of an element in a certain group. The transitionmetal is not considered and will return null.
Inherited From:
Source:
Returns:
Theoretic valence or null on transitionmetal.
Type
Int

getUnplacedMarkers(coordMode) → {Array}

Returns markers that has no coord on coordMode
Parameters:
Name Type Description
coordMode Int
Inherited From:
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Returns:
Type
Array

hasMarker(marker) → {Bool}

Check if a marker has been attached to this object.
Parameters:
Name Type Description
marker Kekule.ChemObject
Inherited From:
Source:
Returns:
Type
Bool

hasMarkerOfType(classType, exactMatch) → {Bool}

Returns whether there exists child markers of a specified class type.
Parameters:
Name Type Description
classType Class
exactMatch Bool If true, only markers of classType (not its descendants) should be considered.
Inherited From:
Source:
Returns:
Type
Bool

indexOfMarker(marker) → {Int}

Get index of attached marker in marker array.
Parameters:
Name Type Description
marker Kekule.ChemObject
Inherited From:
Source:
Returns:
Type
Int

insertMarkerAt(marker, index)

Insert marker to index. If index is not set, marker will be inserted to the tail of the marker array.
Parameters:
Name Type Description
marker Kekule.ChemObject
index Int
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insertMarkerBefore(marker, refMarker) → {Int}

Insert marker before refMarker in marker list. If refMarker is null or does not exists, marker will be append to tail of list.
Parameters:
Name Type Description
marker Kekule.ChemObject
refMarker Kekule.ChemObject
Inherited From:
Source:
Returns:
Index of obj after inserting.
Type
Int

isAttachedMarker() → {Bool}

Returns whether current object is an attachedMarker of parent object.
Inherited From:
Source:
Returns:
Type
Bool

isDummyElement() → {Bool}

Check if current element is a "dummy" one.
Inherited From:
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Returns:
Type
Bool

isHetero() → {Bool}

Returns whether this element is a hetero one (e.g., N, S, Cl...).
Inherited From:
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Returns:
Type
Bool

isNormalElement() → {Bool}

Check if this is a normal element (not pseudo one, not unset one).
Inherited From:
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Returns:
Type
Bool

isRGroupElement() → {Bool}

Check if this element is used to represent an RGroup
Inherited From:
Source:
Returns:
Type
Bool

isSame(obj) → {Bool}

Check if obj is the same isotope with this one.
Parameters:
Name Type Description
obj Object
Source:
Returns:
Type
Bool

isSameElement(symbolOrAtomicNumber) → {Bool}

Check if symbolOrAtomicNumber is same with this object.
Parameters:
Name Type Description
symbolOrAtomicNumber Variant Symbol (String) or atomic number (Int) of element.
Inherited From:
Source:
Returns:
Type
Bool

removeMarker(marker)

Remove an attached marker.
Parameters:
Name Type Description
marker Kekule.ChemObject
Inherited From:
Source:

removeMarkerAt(index)

Remove marker at index in attached marker list.
Parameters:
Name Type Description
index Int
Inherited From:
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replaceMarker(oldMarker, newMarker)

Replace oldMarker with new one.
Parameters:
Name Type Description
oldMarker Kekule.ChemObject
newMarker Kekule.ChemObject
Inherited From:
Source:

setMarkerIndex(marker, index)

Change index of marker.
Parameters:
Name Type Description
marker Kekule.ChemObject
index Int
Inherited From:
Source:

Isotope

new Isotope(symbolOrAtomicNumber, massNumber)

Parameters:
Name Type Description
symbolOrAtomicNumber Variant Symbol (String) or atomic number (Int) of element.
massNumber Int Isotope mass number.
Source:

Members

(static, constant) UNSET_MASSNUMBER

Indicate the mass number is unset and this is a general element.
Source:

Methods

(static) getIsotopeId(symbolOrAtomicNumber, massNumber) → {String}

Get an unique id for isotope.
Parameters:
Name Type Description
symbolOrAtomicNumber Variant
massNumber Int
Source:
Returns:
Type
String

(static) isMassNumberAvailable(symbolOrAtomicNumber, massNumber) → {Bool}

Check if mass number is legal for an element
Parameters:
Name Type Description
symbolOrAtomicNumber Varaint Element symbol(String) or atomic number(Integer).
massNumber Int
Source:
Returns:
Type
Bool

appendMarker(marker)

Attach a marker to this object. If marker already exists, nothing will be done.
Parameters:
Name Type Description
marker Kekule.ChemObject
Inherited From:
Source:

clearMarkers()

Remove all attached markers.
Inherited From:
Source:

fetchMarkerOfType(classType, canCreate, exactMatch, defProps) → {Kekule.ChemObject}

Get attached marker of classType. If no such a marker currently and canCreate is true, a new marker will be created.
Parameters:
Name Type Description
classType Class
canCreate Bool
exactMatch Bool If true, only marker of classType (not its descendants) should be returned.
defProps Hash If create a new marker, those prop values will be applied.
Inherited From:
Source:
Returns:
Type
Kekule.ChemObject

getElementInfo(symbolOrAtomicNumber)

Get element info of symbolOrAtomicNumber. Support pseudo element.
Parameters:
Name Type Description
symbolOrAtomicNumber Object
Inherited From:
Source:

getIsotopeId() → {String}

Get an unique id for current isotope.
Source:
Returns:
Type
String

getMarkerAt(index) → {Kekule.ChemObject}

Get attached marker at index.
Parameters:
Name Type Description
index Int
Inherited From:
Source:
Returns:
Type
Kekule.ChemObject

getMarkerCount() → {Int}

Return count of attached markers.
Inherited From:
Source:
Returns:
Type
Int

getMarkerOfType(classType, exactMatch) → {Kekule.ChemObject}

Returns the first child marker of a specified class type.
Parameters:
Name Type Description
classType Class
exactMatch Bool If true, only marker of classType (not its descendants) should be returned.
Inherited From:
Source:
Returns:
Type
Kekule.ChemObject

getMarkersOfType(classType, exactMatch) → {Array}

Returns all child markers of a specified class type.
Parameters:
Name Type Description
classType Class
exactMatch Bool If true, only markers of classType (not its descendants) should be returned.
Inherited From:
Source:
Returns:
Type
Array

getTheoreticValence() → {Int}

Roughly get the theoretic valence of an element in a certain group. The transitionmetal is not considered and will return null.
Inherited From:
Source:
Returns:
Theoretic valence or null on transitionmetal.
Type
Int

getUnplacedMarkers(coordMode) → {Array}

Returns markers that has no coord on coordMode
Parameters:
Name Type Description
coordMode Int
Inherited From:
Source:
Returns:
Type
Array

hasMarker(marker) → {Bool}

Check if a marker has been attached to this object.
Parameters:
Name Type Description
marker Kekule.ChemObject
Inherited From:
Source:
Returns:
Type
Bool

hasMarkerOfType(classType, exactMatch) → {Bool}

Returns whether there exists child markers of a specified class type.
Parameters:
Name Type Description
classType Class
exactMatch Bool If true, only markers of classType (not its descendants) should be considered.
Inherited From:
Source:
Returns:
Type
Bool

indexOfMarker(marker) → {Int}

Get index of attached marker in marker array.
Parameters:
Name Type Description
marker Kekule.ChemObject
Inherited From:
Source:
Returns:
Type
Int

insertMarkerAt(marker, index)

Insert marker to index. If index is not set, marker will be inserted to the tail of the marker array.
Parameters:
Name Type Description
marker Kekule.ChemObject
index Int
Inherited From:
Source:

insertMarkerBefore(marker, refMarker) → {Int}

Insert marker before refMarker in marker list. If refMarker is null or does not exists, marker will be append to tail of list.
Parameters:
Name Type Description
marker Kekule.ChemObject
refMarker Kekule.ChemObject
Inherited From:
Source:
Returns:
Index of obj after inserting.
Type
Int

isAttachedMarker() → {Bool}

Returns whether current object is an attachedMarker of parent object.
Inherited From:
Source:
Returns:
Type
Bool

isDummyElement() → {Bool}

Check if current element is a "dummy" one.
Inherited From:
Source:
Returns:
Type
Bool

isHetero() → {Bool}

Returns whether this element is a hetero one (e.g., N, S, Cl...).
Inherited From:
Source:
Returns:
Type
Bool

isNormalElement() → {Bool}

Check if this is a normal element (not pseudo one, not unset one).
Inherited From:
Source:
Returns:
Type
Bool

isRGroupElement() → {Bool}

Check if this element is used to represent an RGroup
Inherited From:
Source:
Returns:
Type
Bool

isSame(obj) → {Bool}

Check if obj is the same isotope with this one.
Parameters:
Name Type Description
obj Object
Source:
Returns:
Type
Bool

isSameElement(symbolOrAtomicNumber) → {Bool}

Check if symbolOrAtomicNumber is same with this object.
Parameters:
Name Type Description
symbolOrAtomicNumber Variant Symbol (String) or atomic number (Int) of element.
Inherited From:
Source:
Returns:
Type
Bool

removeMarker(marker)

Remove an attached marker.
Parameters:
Name Type Description
marker Kekule.ChemObject
Inherited From:
Source:

removeMarkerAt(index)

Remove marker at index in attached marker list.
Parameters:
Name Type Description
index Int
Inherited From:
Source:

replaceMarker(oldMarker, newMarker)

Replace oldMarker with new one.
Parameters:
Name Type Description
oldMarker Kekule.ChemObject
newMarker Kekule.ChemObject
Inherited From:
Source:

setMarkerIndex(marker, index)

Change index of marker.
Parameters:
Name Type Description
marker Kekule.ChemObject
index Int
Inherited From:
Source: