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org.xmlcml.cml
Interface AbstractAtom  view AbstractAtom download AbstractAtom.java

All Superinterfaces:
AbstractBase, AbstractBuiltinContainer, AttributeConvention, AttributeCount, AttributeDictRef, AttributeId, AttributeTitle, BuiltinContainer, org.w3c.dom.Element, org.w3c.dom.Node
All Known Subinterfaces:
CMLAtom, CMLAtomArray

public interface AbstractAtom
extends AbstractBuiltinContainer, AttributeCount

Base class for atomic information . Declares various static variables.
Not directly used
License:
This document may be freely copied but not modified in any way without the permission of the author. For full license information CMLDocument

Version:
CMLDOM 1.0, 2001/01

Field Summary
static int ATOM_BUILTIN_COUNT
           
static int ATOM_FLOATVAL_COUNT
           
static int ATOM_FLOATVAL_END
           
static int ATOM_FLOATVAL_START
           
static int ATOM_ID
           
static int ATOM_INTEGERVAL_COUNT
           
static int ATOM_INTEGERVAL_END
           
static int ATOM_INTEGERVAL_START
           
static int ATOM_PARITY_FLOAT
           
static int ATOM_PARITY_INT
           
static int ATOM_STRINGVAL_COUNT
           
static int ATOM_STRINGVAL_END
           
static int ATOM_STRINGVAL_START
           
static java.lang.String ATOMID_NAME
           
static java.lang.String[] builtinFloatValNames
           
static java.lang.String[] builtinIntegerValNames
           
static java.lang.String[] builtinStringValNames
           
static int ELEMENT_TYPE
           
static java.lang.String ELTYPE_NAME
           
static java.lang.String FCHARGE_NAME
           
static int FORMAL_CHARGE_FLOAT
           
static int FORMAL_CHARGE_INT
           
static java.lang.String HCOUNT_NAME
           
static int HYDROGEN_COUNT_FLOAT
           
static int HYDROGEN_COUNT_INT
           
static int ISOTOPE_FLOAT
           
static int ISOTOPE_INT
           
static java.lang.String ISOTOPE_NAME
           
static int NON_HYDROGEN_COUNT_FLOAT
           
static int NON_HYDROGEN_COUNT_INT
           
static java.lang.String NONH_NAME
           
static java.lang.String OCC_NAME
           
static int OCCUPANCY
           
static java.lang.String PARITY_NAME
           
static java.lang.String RESID_NAME
           
static int RESIDUE_ID
           
static int RESIDUE_TYPE
           
static java.lang.String RESTYPE_NAME
           
static java.lang.String[] SMILESATOMS
          these are the only allowed atoms in SMILES that can be outside [...]
static int SP
           
static int SP2
           
static int SP3
           
static java.lang.String[] spTypeStrings
           
static int[] valences
           
static int X2
           
static java.lang.String X2_NAME
           
static int X3
           
static java.lang.String X3_NAME
           
static int XFRACT
           
static java.lang.String XFRACT_NAME
           
static int Y2
           
static java.lang.String Y2_NAME
           
static int Y3
           
static java.lang.String Y3_NAME
           
static int YFRACT
           
static java.lang.String YFRACT_NAME
           
static int Z3
           
static java.lang.String Z3_NAME
           
static int ZFRACT
           
static java.lang.String ZFRACT_NAME
           
 
Fields inherited from interface org.xmlcml.cml.AbstractBuiltinContainer
NONUNIQUE, STEREO_2D, STEREO_3D, STEREO_ANY, UNIQUE
 
Fields inherited from interface org.xmlcml.cml.AbstractBase
ANGLE, ATOM, ATOMARRAY, ATOMPARITY, BOND, BONDARRAY, BONDSTEREO, BUILTIN, CML, CML_PREFIX, CRYSTAL, ELECTRON, ELEMENT_COUNT, ELEMENT_NAMES, EXECUTE, FEATURE, FLOAT, FLOAT_TYPE, FLOATARRAY, FLOATMATRIX, FORMULA, INTEGER, INTEGER_TYPE, INTEGERARRAY, LINK, LIST, MOLECULE, NAMESPACE_URI, PACKAGE_NAME, REACTION, SEQUENCE, STRING, STRING_TYPE, STRINGARRAY, TORSION, UNK, UNK_ELEM, UNKNOWN
 
Fields inherited from interface org.w3c.dom.Node
ATTRIBUTE_NODE, CDATA_SECTION_NODE, COMMENT_NODE, DOCUMENT_FRAGMENT_NODE, DOCUMENT_NODE, DOCUMENT_POSITION_CONTAINED_BY, DOCUMENT_POSITION_CONTAINS, DOCUMENT_POSITION_DISCONNECTED, DOCUMENT_POSITION_FOLLOWING, DOCUMENT_POSITION_IMPLEMENTATION_SPECIFIC, DOCUMENT_POSITION_PRECEDING, DOCUMENT_TYPE_NODE, ELEMENT_NODE, ENTITY_NODE, ENTITY_REFERENCE_NODE, NOTATION_NODE, PROCESSING_INSTRUCTION_NODE, TEXT_NODE
 
Fields inherited from interface org.xmlcml.cml.AttributeTitle
TITLE
 
Fields inherited from interface org.xmlcml.cml.AttributeDictRef
DICTREF
 
Fields inherited from interface org.xmlcml.cml.AttributeId
ID
 
Fields inherited from interface org.xmlcml.cml.AttributeConvention
CONVENTION
 
Fields inherited from interface org.xmlcml.cml.AttributeCount
COUNT
 
Methods inherited from interface org.xmlcml.cml.AbstractBuiltinContainer
addBuiltinChildWithFloatValue, addBuiltinChildWithIntegerValue, addBuiltinChildWithStringValue, checkBuiltins, deleteNonBuiltinVal, getBuiltinChild, getBuiltinChildElements, getBuiltinChildFloatValue, getBuiltinChildIntegerValue, getBuiltinChildStringValue, getBuiltinCount, getBuiltinVal, getNonBuiltinVal, removeBuiltinChild, setBuiltinFloatChild, setBuiltinIntegerChild, setBuiltinStringChild, setBuiltinVal, setNonBuiltinVal
 
Methods inherited from interface org.xmlcml.cml.AbstractBase
addTracer, debug, debug, getDisplay, processDOM, readXMLTest, removeTracer, setDOMNeedsProcessing, setDOMNeedsUpdating, updateDOM
 
Methods inherited from interface org.w3c.dom.Element
getAttribute, getAttributeNode, getAttributeNodeNS, getAttributeNS, getElementsByTagName, getElementsByTagNameNS, getSchemaTypeInfo, getTagName, hasAttribute, hasAttributeNS, removeAttribute, removeAttributeNode, removeAttributeNS, setAttribute, setAttributeNode, setAttributeNodeNS, setAttributeNS, setIdAttribute, setIdAttributeNode, setIdAttributeNS
 
Methods inherited from interface org.w3c.dom.Node
appendChild, cloneNode, compareDocumentPosition, getAttributes, getBaseURI, getChildNodes, getFeature, getFirstChild, getLastChild, getLocalName, getNamespaceURI, getNextSibling, getNodeName, getNodeType, getNodeValue, getOwnerDocument, getParentNode, getPrefix, getPreviousSibling, getTextContent, getUserData, hasAttributes, hasChildNodes, insertBefore, isDefaultNamespace, isEqualNode, isSameNode, isSupported, lookupNamespaceURI, lookupPrefix, normalize, removeChild, replaceChild, setNodeValue, setPrefix, setTextContent, setUserData
 
Methods inherited from interface org.xmlcml.cml.AttributeTitle
getTitle, processDOMHasTitle, setTitle, updateDOMHasTitle
 
Methods inherited from interface org.xmlcml.cml.AttributeDictRef
getDictRef, processDOMHasDictRef, setDictRef, updateDOMHasDictRef
 
Methods inherited from interface org.xmlcml.cml.AttributeId
getId, processDOMHasId, setId, updateDOMHasId
 
Methods inherited from interface org.xmlcml.cml.AttributeConvention
getConventionName, processDOMHasConvention, setConventionName, updateDOMHasConvention
 
Methods inherited from interface org.xmlcml.cml.AttributeCount
getCount, processDOMHasCount, setCount, updateDOMHasCount
 

Field Detail

ATOM_FLOATVAL_START

public static final int ATOM_FLOATVAL_START
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Constant Field Values

X2

public static final int X2
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Constant Field Values

Y2

public static final int Y2
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X3

public static final int X3
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Y3

public static final int Y3
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Z3

public static final int Z3
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XFRACT

public static final int XFRACT
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YFRACT

public static final int YFRACT
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ZFRACT

public static final int ZFRACT
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OCCUPANCY

public static final int OCCUPANCY
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ISOTOPE_FLOAT

public static final int ISOTOPE_FLOAT
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FORMAL_CHARGE_FLOAT

public static final int FORMAL_CHARGE_FLOAT
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HYDROGEN_COUNT_FLOAT

public static final int HYDROGEN_COUNT_FLOAT
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NON_HYDROGEN_COUNT_FLOAT

public static final int NON_HYDROGEN_COUNT_FLOAT
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ATOM_PARITY_FLOAT

public static final int ATOM_PARITY_FLOAT
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Constant Field Values

ATOM_FLOATVAL_END

public static final int ATOM_FLOATVAL_END
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ATOM_FLOATVAL_COUNT

public static final int ATOM_FLOATVAL_COUNT
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Constant Field Values

ATOM_INTEGERVAL_START

public static final int ATOM_INTEGERVAL_START
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Constant Field Values

ISOTOPE_INT

public static final int ISOTOPE_INT
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Constant Field Values

FORMAL_CHARGE_INT

public static final int FORMAL_CHARGE_INT
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Constant Field Values

HYDROGEN_COUNT_INT

public static final int HYDROGEN_COUNT_INT
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Constant Field Values

NON_HYDROGEN_COUNT_INT

public static final int NON_HYDROGEN_COUNT_INT
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Constant Field Values

ATOM_PARITY_INT

public static final int ATOM_PARITY_INT
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Constant Field Values

ATOM_INTEGERVAL_END

public static final int ATOM_INTEGERVAL_END
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ATOM_INTEGERVAL_COUNT

public static final int ATOM_INTEGERVAL_COUNT
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ATOM_STRINGVAL_START

public static final int ATOM_STRINGVAL_START
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ELEMENT_TYPE

public static final int ELEMENT_TYPE
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ATOM_ID

public static final int ATOM_ID
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Constant Field Values

RESIDUE_TYPE

public static final int RESIDUE_TYPE
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Constant Field Values

RESIDUE_ID

public static final int RESIDUE_ID
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Constant Field Values

ATOM_STRINGVAL_END

public static final int ATOM_STRINGVAL_END
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Constant Field Values

ATOM_STRINGVAL_COUNT

public static final int ATOM_STRINGVAL_COUNT
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Constant Field Values

ATOM_BUILTIN_COUNT

public static final int ATOM_BUILTIN_COUNT
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Constant Field Values

X2_NAME

public static final java.lang.String X2_NAME
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Y2_NAME

public static final java.lang.String Y2_NAME
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X3_NAME

public static final java.lang.String X3_NAME
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Y3_NAME

public static final java.lang.String Y3_NAME
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Z3_NAME

public static final java.lang.String Z3_NAME
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XFRACT_NAME

public static final java.lang.String XFRACT_NAME
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YFRACT_NAME

public static final java.lang.String YFRACT_NAME
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ZFRACT_NAME

public static final java.lang.String ZFRACT_NAME
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Constant Field Values

OCC_NAME

public static final java.lang.String OCC_NAME
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Constant Field Values

ISOTOPE_NAME

public static final java.lang.String ISOTOPE_NAME
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Constant Field Values

FCHARGE_NAME

public static final java.lang.String FCHARGE_NAME
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Constant Field Values

NONH_NAME

public static final java.lang.String NONH_NAME
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HCOUNT_NAME

public static final java.lang.String HCOUNT_NAME
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PARITY_NAME

public static final java.lang.String PARITY_NAME
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Constant Field Values

builtinFloatValNames

public static final java.lang.String[] builtinFloatValNames

builtinIntegerValNames

public static final java.lang.String[] builtinIntegerValNames

ELTYPE_NAME

public static final java.lang.String ELTYPE_NAME
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Constant Field Values

ATOMID_NAME

public static final java.lang.String ATOMID_NAME
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RESTYPE_NAME

public static final java.lang.String RESTYPE_NAME
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RESID_NAME

public static final java.lang.String RESID_NAME
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Constant Field Values

builtinStringValNames

public static final java.lang.String[] builtinStringValNames

SMILESATOMS

public static final java.lang.String[] SMILESATOMS
these are the only allowed atoms in SMILES that can be outside [...]


valences

public static final int[] valences

SP3

public static final int SP3
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Constant Field Values

SP2

public static final int SP2
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Constant Field Values

SP

public static final int SP
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Constant Field Values

spTypeStrings

public static final java.lang.String[] spTypeStrings