Package org.openscience.cdk.tools
Class DataFeatures
java.lang.Object
org.openscience.cdk.tools.DataFeatures
Class with constants for possible data features defined in the
a Data Feature Ontology. Actual integers are random
and should not be used directly.
To test whether a IChemFormat supports a certain feature, the following code can be used:
int features = new XYZFormat().getSupportedDataFeatures();
boolean has3DCoords = (features & HAS_3D_COORDINATES) == HAS_3D_COORDINATES;
This list of constants matches the latest Blue Obelisk Data Features Ontology.
- Author:
- Egon Willighagen <ewilligh@uni-koeln.de>
- Source code:
- main
- Belongs to CDK module:
- annotation
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Field Summary
FieldsModifier and TypeFieldDescriptionstatic final int
static final int
static final int
static final int
static final int
FIXME: NOT YET IN BODF !!!static final int
static final int
static final int
static final int
static final int
static final int
static final int
FIXME: NOT YET IN BODF !!!static final int
FIXME: NOT YET IN BODF !!!static final int
Indicated that no feature are defined. -
Constructor Summary
Constructors -
Method Summary
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Field Details
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NONE
public static final int NONEIndicated that no feature are defined.- See Also:
-
HAS_2D_COORDINATES
public static final int HAS_2D_COORDINATES- See Also:
- Dictionary pointer(s):
- coordinates2D in the Blue Obelisk Data Features Dictionary [bodf:coordinates2D]
-
HAS_3D_COORDINATES
public static final int HAS_3D_COORDINATES- See Also:
- Dictionary pointer(s):
- coordinates3D in the Blue Obelisk Data Features Dictionary [bodf:coordinates3D]
-
HAS_FRACTIONAL_CRYSTAL_COORDINATES
public static final int HAS_FRACTIONAL_CRYSTAL_COORDINATES- See Also:
- Dictionary pointer(s):
- fractionalUnitCellCoordinatesCoordinates in the Blue Obelisk Data Features Dictionary [bodf:fractionalUnitCellCoordinatesCoordinates]
-
HAS_ATOM_ELEMENT_SYMBOL
public static final int HAS_ATOM_ELEMENT_SYMBOL- See Also:
- Dictionary pointer(s):
- hasAtomElementSymbol in the Blue Obelisk Data Features Dictionary [bodf:hasAtomElementSymbol]
-
HAS_ATOM_PARTIAL_CHARGES
public static final int HAS_ATOM_PARTIAL_CHARGES- See Also:
- Dictionary pointer(s):
- partialAtomicCharges in the Blue Obelisk Data Features Dictionary [bodf:partialAtomicCharges]
-
HAS_ATOM_FORMAL_CHARGES
public static final int HAS_ATOM_FORMAL_CHARGES- See Also:
- Dictionary pointer(s):
- formalAtomicCharges in the Blue Obelisk Data Features Dictionary [bodf:formalAtomicCharges]
-
HAS_ATOM_HYBRIDIZATIONS
public static final int HAS_ATOM_HYBRIDIZATIONSFIXME: NOT YET IN BODF !!!- See Also:
-
HAS_ATOM_MASS_NUMBERS
public static final int HAS_ATOM_MASS_NUMBERS- See Also:
- Dictionary pointer(s):
- massNumbers in the Blue Obelisk Data Features Dictionary [bodf:massNumbers]
-
HAS_ATOM_ISOTOPE_NUMBERS
public static final int HAS_ATOM_ISOTOPE_NUMBERS- See Also:
- Dictionary pointer(s):
- isotopeNumbers in the Blue Obelisk Data Features Dictionary [bodf:isotopeNumbers]
-
HAS_GRAPH_REPRESENTATION
public static final int HAS_GRAPH_REPRESENTATION- See Also:
- Dictionary pointer(s):
- graphRepresentation in the Blue Obelisk Data Features Dictionary [bodf:graphRepresentation]
-
HAS_DIETZ_REPRESENTATION
public static final int HAS_DIETZ_REPRESENTATION- See Also:
- Dictionary pointer(s):
- dietzRepresentation in the Blue Obelisk Data Features Dictionary [bodf:dietzRepresentation]
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HAS_UNITCELL_PARAMETERS
public static final int HAS_UNITCELL_PARAMETERSFIXME: NOT YET IN BODF !!!- See Also:
-
HAS_REACTIONS
public static final int HAS_REACTIONSFIXME: NOT YET IN BODF !!!- See Also:
-
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Constructor Details
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DataFeatures
public DataFeatures()
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