Logo Search packages:      
Sourcecode: cdk version File versions  Download package

org::openscience::cdk::CDKConstants Class Reference

List of all members.


Detailed Description

An interface providing predefined values for a number of constants used throughout the CDK. Classes using these constants should not implement this interface, but use it like:
   double singleBondOrder = CDKConstants.BONDORDER_SINGLE;
 

The lazyCreation patch has been applied to this class.

.module core

.keyword bond order .keyword stereochemistry

Definition at line 48 of file CDKConstants.java.


Static Public Attributes

static final String ALL_RINGS = "AllRings"
static final String ANNOTATIONS = "Annotations"
static final String AUTONOMNAME = "AutonomName"
static final String BEILSTEINRN = "BeilsteinRN"
static final double BONDORDER_AROMATIC = 1.5
static final double BONDORDER_DOUBLE = 2.0
static final double BONDORDER_SINGLE = 1.0
static final double BONDORDER_TRIPLE = 3.0
static final String CASRN = "CasRN"
static final String CHEMICAL_GROUP_CONSTANT = "Chemical Group"
static final String COMMENT = "Comment"
static final String DESCRIPTION = "Description"
static final int DUMMY_POINTER = 1
static final String ESSENTIAL_RINGS = "EssentialRings"
static final int HYBRIDIZATION_SP1 = 1
static final int HYBRIDIZATION_SP2 = 2
static final int HYBRIDIZATION_SP3 = 3
static final int HYBRIDIZATION_SP3D1 = 4
static final int HYBRIDIZATION_SP3D2 = 5
static final int HYBRIDIZATION_SP3D3 = 6
static final int HYBRIDIZATION_SP3D4 = 7
static final int HYBRIDIZATION_SP3D5 = 8
static final int HYBRIDIZATION_UNSET = 0
static final String INCHI = "InChI"
static final int IS_HYDROGENBOND_ACCEPTOR = 9
static final int IS_HYDROGENBOND_DONOR = 8
static final int ISALIPHATIC = 3
static final int ISAROMATIC = 5
static final int ISCONJUGATED = 6
static final int ISINRING = 1
static final int ISNOTINRING = 2
static final String ISOTROPIC_SHIELDING = "IsotropicShielding"
static final int ISPLACED = 0
static final int MAPPED = 7
static final int MAX_FLAG_INDEX = 10
static final int MAX_POINTER_INDEX = 1
static final String NAMES = "Names"
static final String NMRSHIFT_CARBON = "carbon nmr shift"
static final String NMRSHIFT_DEUTERIUM = "deuterium nmr shift"
static final String NMRSHIFT_FLUORINE = "fluorine nmr shift"
static final String NMRSHIFT_HYDROGEN = "hydrogen nmr shift"
static final String NMRSHIFT_NITROGEN = "nitrogen nmr shift"
static final String NMRSHIFT_PHOSPORUS = "phosphorus nmr shift"
static final String PART_OF_RING_OF_SIZE = "Part of ring of size"
static final int REACTIVE_CENTER = 10
static final String RELEVANT_RINGS = "RelevantRings"
static final String REMARK = "Remark"
static final String RING_CONNECTIONS = "RingConnections"
static final String RING_SIZES = "RingSizes"
static final String SMALLEST_RINGS = "SmallestRings"
static final String SMILES = "SMILES"
static final String SPHERICAL_MATCHER = "HOSE code spherical matcher"
static final int STEREO_ATOM_PARITY_MINUS = -1
static final int STEREO_ATOM_PARITY_PLUS = 1
static final int STEREO_ATOM_PARITY_UNDEFINED = 0
static final int STEREO_BOND_DOWN = -1
static final int STEREO_BOND_DOWN_INV = -2
static final int STEREO_BOND_NONE = 0
static final int STEREO_BOND_UNDEFINED = 4
static final int STEREO_BOND_UP = 1
static final int STEREO_BOND_UP_INV = 2
static final String TITLE = "Title"
static final String TOTAL_CONNECTIONS = "TotalConnections"
static final String TOTAL_H_COUNT = "TotalHydrogenCount"
static final int UNSET = Integer.MIN_VALUE
static final int VISITED = 4

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

Generated by  Doxygen 1.6.0   Back to index