Package org.openscience.cdk.tools
Class DataFeatures
- java.lang.Object
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- org.openscience.cdk.tools.DataFeatures
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public class DataFeatures extends Object
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
Fields Modifier and Type Field Description static int
HAS_2D_COORDINATES
static int
HAS_3D_COORDINATES
static int
HAS_ATOM_ELEMENT_SYMBOL
static int
HAS_ATOM_FORMAL_CHARGES
static int
HAS_ATOM_HYBRIDIZATIONS
FIXME: NOT YET IN BODF !!!static int
HAS_ATOM_ISOTOPE_NUMBERS
static int
HAS_ATOM_MASS_NUMBERS
static int
HAS_ATOM_PARTIAL_CHARGES
static int
HAS_DIETZ_REPRESENTATION
static int
HAS_FRACTIONAL_CRYSTAL_COORDINATES
static int
HAS_GRAPH_REPRESENTATION
static int
HAS_REACTIONS
FIXME: NOT YET IN BODF !!!static int
HAS_UNITCELL_PARAMETERS
FIXME: NOT YET IN BODF !!!static int
NONE
Indicated that no feature are defined.
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Constructor Summary
Constructors Constructor Description DataFeatures()
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Field Detail
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NONE
public static final int NONE
Indicated that no feature are defined.- See Also:
- Constant Field Values
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HAS_2D_COORDINATES
public static final int HAS_2D_COORDINATES
- See Also:
- Constant Field Values
- Dictionary pointer(s):
- coordinates2D in the Blue Obelisk Data Features Dictionary [bodf:coordinates2D]
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HAS_3D_COORDINATES
public static final int HAS_3D_COORDINATES
- See Also:
- Constant Field Values
- Dictionary pointer(s):
- coordinates3D in the Blue Obelisk Data Features Dictionary [bodf:coordinates3D]
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HAS_FRACTIONAL_CRYSTAL_COORDINATES
public static final int HAS_FRACTIONAL_CRYSTAL_COORDINATES
- See Also:
- Constant Field Values
- Dictionary pointer(s):
- fractionalUnitCellCoordinatesCoordinates in the Blue Obelisk Data Features Dictionary [bodf:fractionalUnitCellCoordinatesCoordinates]
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HAS_ATOM_ELEMENT_SYMBOL
public static final int HAS_ATOM_ELEMENT_SYMBOL
- See Also:
- Constant Field Values
- Dictionary pointer(s):
- hasAtomElementSymbol in the Blue Obelisk Data Features Dictionary [bodf:hasAtomElementSymbol]
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HAS_ATOM_PARTIAL_CHARGES
public static final int HAS_ATOM_PARTIAL_CHARGES
- See Also:
- Constant Field Values
- Dictionary pointer(s):
- partialAtomicCharges in the Blue Obelisk Data Features Dictionary [bodf:partialAtomicCharges]
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HAS_ATOM_FORMAL_CHARGES
public static final int HAS_ATOM_FORMAL_CHARGES
- See Also:
- Constant Field Values
- Dictionary pointer(s):
- formalAtomicCharges in the Blue Obelisk Data Features Dictionary [bodf:formalAtomicCharges]
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HAS_ATOM_HYBRIDIZATIONS
public static final int HAS_ATOM_HYBRIDIZATIONS
FIXME: NOT YET IN BODF !!!- See Also:
- Constant Field Values
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HAS_ATOM_MASS_NUMBERS
public static final int HAS_ATOM_MASS_NUMBERS
- See Also:
- Constant Field Values
- Dictionary pointer(s):
- massNumbers in the Blue Obelisk Data Features Dictionary [bodf:massNumbers]
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HAS_ATOM_ISOTOPE_NUMBERS
public static final int HAS_ATOM_ISOTOPE_NUMBERS
- See Also:
- Constant Field Values
- Dictionary pointer(s):
- isotopeNumbers in the Blue Obelisk Data Features Dictionary [bodf:isotopeNumbers]
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HAS_GRAPH_REPRESENTATION
public static final int HAS_GRAPH_REPRESENTATION
- See Also:
- Constant Field Values
- Dictionary pointer(s):
- graphRepresentation in the Blue Obelisk Data Features Dictionary [bodf:graphRepresentation]
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HAS_DIETZ_REPRESENTATION
public static final int HAS_DIETZ_REPRESENTATION
- See Also:
- Constant Field Values
- 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_PARAMETERS
FIXME: NOT YET IN BODF !!!- See Also:
- Constant Field Values
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HAS_REACTIONS
public static final int HAS_REACTIONS
FIXME: NOT YET IN BODF !!!- See Also:
- Constant Field Values
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