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org::openscience::cdk::tools::DataFeatures Class Reference

List of all members.

Detailed Description

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 wether 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.

Egon Willighagen <ewilligh@uni-koeln.de> .module core

Definition at line 49 of file DataFeatures.java.

Static Public Attributes

static final int HAS_2D_COORDINATES = 1<<0
static final int HAS_3D_COORDINATES = 1<<1
static final int HAS_ATOM_ELEMENT_SYMBOL = 1<<3
static final int HAS_ATOM_FORMAL_CHARGES = 1<<5
static final int HAS_ATOM_HYBRIDIZATIONS = 1<<6
static final int HAS_ATOM_ISOTOPE_NUMBERS = 1<<8
static final int HAS_ATOM_MASS_NUMBERS = 1<<7
static final int HAS_ATOM_PARTIAL_CHARGES = 1<<4
static final int HAS_DIETZ_REPRESENTATION = 1<<10
static final int HAS_GRAPH_REPRESENTATION = 1<<9
static final int HAS_REACTIONS = 1<<12
static final int HAS_UNITCELL_PARAMETERS = 1<<11
static final int NONE = 0

The documentation for this class was generated from the following file:

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