Constant Field Values

Contents

• org.openscience.*

org.openscience.*

org.openscience.cdk.Association

Modifier and Type	Constant Field	Value
protected final int	electronCount	0

org.openscience.cdk.AtomContainerLegacy

Modifier and Type	Constant Field	Value
protected final int	growArraySize	10

org.openscience.cdk.CDKConstants

Modifier and Type	Constant Field	Value
public static final String	ACDLABS_LABEL	"cdk:ACDLabsAtomLabel"
public static final String	ALL_RINGS	"cdk:AllRings"
public static final String	ANNOTATIONS	"cdk:Annotations"
public static final String	ATOM_ATOM_MAPPING	"cdk:AtomAtomMapping"
public static final String	AUTONOMNAME	"cdk:AutonomName"
public static final String	BEILSTEINRN	"cdk:BeilsteinRN"
public static final String	CASRN	"cdk:CasRN"
public static final String	CHEMICAL_GROUP_CONSTANT	"cdk:Chemical Group"
public static final String	CIP_DESCRIPTOR	"cip.label"
public static final String	COMMENT	"cdk:Comment"
public static final String	CTAB_SGROUPS	"cdk:CtabSgroups"
public static final String	DESCRIPTION	"cdk:Description"
public static final int	DUMMY_POINTER	1
public static final String	ESSENTIAL_RINGS	"cdk:EssentialRings"
public static final String	FORMULA	"cdk:Formula"
public static final int	HYBRIDIZATION_SP1	1
public static final int	HYBRIDIZATION_SP2	2
public static final int	HYBRIDIZATION_SP3	3
public static final int	HYBRIDIZATION_SP3D1	4
public static final int	HYBRIDIZATION_SP3D2	5
public static final int	HYBRIDIZATION_SP3D3	6
public static final int	HYBRIDIZATION_SP3D4	7
public static final int	HYBRIDIZATION_SP3D5	8
public static final int	HYBRIDIZATION_UNSET	0
public static final String	INCHI	"cdk:InChI"
public static final int	IS_HYDROGENBOND_ACCEPTOR	512
public static final int	IS_HYDROGENBOND_DONOR	256
public static final int	IS_TYPEABLE	2048
public static final int	ISALIPHATIC	8
public static final int	ISAROMATIC	32
public static final int	ISCONJUGATED	64
public static final int	ISINRING	2
public static final int	ISNOTINRING	4
public static final String	ISOTROPIC_SHIELDING	"cdk:IsotropicShielding"
public static final int	ISPLACED	1
public static final String	LONE_PAIR_COUNT	"cdk:Lone Pair Count"
public static final int	MAPPED	128
public static final int	MAX_FLAG_INDEX	13
public static final int	MAX_POINTER_INDEX	1
public static final String	NAMES	"cdk:Names"
public static final String	NMRSHIFT_CARBON	"carbon nmr shift"
public static final String	NMRSHIFT_DEUTERIUM	"deuterium nmr shift"
public static final String	NMRSHIFT_FLUORINE	"fluorine nmr shift"
public static final String	NMRSHIFT_HYDROGEN	"hydrogen nmr shift"
public static final String	NMRSHIFT_NITROGEN	"nitrogen nmr shift"
public static final String	NMRSHIFT_PHOSPORUS	"phosphorus nmr shift"
public static final String	NMRSHIFT_SULFUR	"sulfur nmr shift"
public static final String	NMRSIGNAL_INTENSITY	"nmr signal intensity"
public static final String	NMRSIGNAL_MULTIPLICITY	"nmr signal multiplicity"
public static final String	NMRSPECTYPE_1D	"1D NMR spectrum"
public static final String	NMRSPECTYPE_1D_DEPT135	"1D NMR spectrum: DEPT135"
public static final String	NMRSPECTYPE_1D_DEPT90	"1D NMR spectrum: DEPT90"
public static final String	NMRSPECTYPE_2D_HHCOSY	"2D NMR spectrum: HHCOSY"
public static final String	NMRSPECTYPE_2D_HMBC	"2D NMR spectrum: HMBC"
public static final String	NMRSPECTYPE_2D_HSQC	"2D NMR spectrum: HSQC"
public static final String	NMRSPECTYPE_2D_INADEQUATE	"2D NMR spectrum: INADEQUATE"
public static final String	PART_OF_RING_OF_SIZE	"cdk:Part of ring of size"
public static final String	PI_BOND_COUNT	"cdk:Pi Bond Count"
public static final String	REACTION_ARROW	"cdk:Arrow"
public static final String	REACTION_CONDITIONS	"cdk:ReactionConditions"
public static final String	REACTION_GROUP	"cdk:ReactionGroup"
public static final String	REACTION_ROLE	"cdk:ReactionRole"
public static final int	REACTIVE_CENTER	1024
public static final String	RELEVANT_RINGS	"cdk:RelevantRings"
public static final String	REMARK	"cdk:Remark"
public static final String	REST_H	"cdk:RestH"
public static final String	RING_CONNECTIONS	"cdk:RingConnections"
public static final String	RING_SIZES	"cdk:RingSizes"
public static final String	SINGLE_ELECTRON_COUNT	"cdk:Single Electron Count"
public static final int	SINGLE_OR_DOUBLE	4096
public static final String	SMALLEST_RINGS	"cdk:SmallestRings"
public static final String	SMILES	"cdk:SMILES"
public static final String	SPHERICAL_MATCHER	"cdk:HOSE code spherical matcher"
public static final String	SPIN_MULTIPLICITY	"cdk:SpinMultiplicity"
public static final int	STEREO_ATOM_PARITY_MINUS	-1
public static final int	STEREO_ATOM_PARITY_PLUS	1
public static final int	STEREO_ATOM_PARITY_UNDEFINED	0
public static final String	TITLE	"cdk:Title"
public static final String	TOTAL_CONNECTIONS	"cdk:TotalConnections"
public static final String	TOTAL_H_COUNT	"cdk:TotalHydrogenCount"
public static final int	VISITED	16

org.openscience.cdk.ChemSequence

Modifier and Type	Constant Field	Value
protected final int	growArraySize	4

org.openscience.cdk.LonePair

Modifier and Type	Constant Field	Value
protected final int	electronCount	2

org.openscience.cdk.PhysicalConstants

Modifier and Type	Constant Field	Value
public static final double	BOHR_TO_ANGSTROM	0.529177249
public static final double	MASS_ELECTRON	9.109534E-31
public static final double	MASS_PROTON	1.6726485E-27

org.openscience.cdk.Reaction

Modifier and Type	Constant Field	Value
protected final int	growArraySize	3

org.openscience.cdk.SingleElectron

Modifier and Type	Constant Field	Value
protected final int	electronCount	1

org.openscience.cdk.atomtype.CDKAtomTypeMatcher

Modifier and Type	Constant Field	Value
public static final int	REQUIRE_EXPLICIT_HYDROGENS	2
public static final int	REQUIRE_NOTHING	1

org.openscience.cdk.charges.MMFF94PartialCharges

Modifier and Type	Constant Field	Value
public static final String	MMFF_94_CHARGE	"MMFF94charge"

org.openscience.cdk.config.AtomTypeFactory

Modifier and Type	Constant Field	Value
public static final String	ATOMTYPE_ID_JMOL	"jmol"
public static final String	ATOMTYPE_ID_MODELING	"modeling"
public static final String	ATOMTYPE_ID_STRUCTGEN	"structgen"

org.openscience.cdk.depict.Depiction

Modifier and Type	Constant Field	Value
protected static final double	DEFAULT_PADDING_FACTOR	2.5
public static final String	EPS_FMT	"eps"
public static final String	GIF_FMT	"gif"
public static final String	JPG_FMT	"jpg"
protected static final double	MM_TO_POINT	2.83464566751
public static final String	PDF_FMT	"pdf"
public static final String	PNG_FMT	"png"
public static final String	PS_FMT	"ps"
public static final String	SVG_FMT	"svg"
public static final String	UNITS_MM	"mm"
public static final String	UNITS_PX	"px"

org.openscience.cdk.depict.DepictionGenerator

Modifier and Type	Constant Field	Value
public static final double	AUTOMATIC	-1.0
public static final double	DEFAULT_MM_MARGIN	0.56
public static final double	DEFAULT_PX_MARGIN	4.0

org.openscience.cdk.dict.DictionaryDatabase

Modifier and Type	Constant Field	Value
public static final String	DICTREFPROPERTYNAME	"org.openscience.cdk.dict"

org.openscience.cdk.fingerprint.CircularFingerprinter

Modifier and Type	Constant Field	Value
public static final int	CLASS_ECFP0	1
public static final int	CLASS_ECFP2	2
public static final int	CLASS_ECFP4	3
public static final int	CLASS_ECFP6	4
public static final int	CLASS_FCFP0	5
public static final int	CLASS_FCFP2	6
public static final int	CLASS_FCFP4	7
public static final int	CLASS_FCFP6	8

org.openscience.cdk.fingerprint.Fingerprinter

Modifier and Type	Constant Field	Value
public static final int	DEFAULT_SEARCH_DEPTH	7
public static final int	DEFAULT_SIZE	1024

org.openscience.cdk.fingerprint.PubchemFingerprinter

Modifier and Type	Constant Field	Value
public static final int	FP_SIZE	881

org.openscience.cdk.fingerprint.ShortestPathFingerprinter

Modifier and Type	Constant Field	Value
public static final int	DEFAULT_SIZE	1024

org.openscience.cdk.geometry.cip.CIPTool

Modifier and Type	Constant Field	Value
public static final int	HYDROGEN	-1

org.openscience.cdk.graph.PathTools

Modifier and Type	Constant Field	Value
public static final boolean	DEBUG	false

org.openscience.cdk.graph.invariant.CanonOpts

Modifier and Type	Constant Field	Value
public static final int	AtomicMass	8
public static final int	Default	0

org.openscience.cdk.interfaces.IChemObject

Modifier and Type	Constant Field	Value
public static final int	ALIPHATIC	8
public static final int	AROMATIC	32
public static final int	CONJUGATED	64
public static final int	HYDROGEN_BOND_ACCEPTOR	512
public static final int	HYDROGEN_BOND_DONOR	256
public static final int	IN_RING	2
public static final int	MAPPED	128
public static final int	NOT_IN_RING	4
public static final int	PLACED	1
public static final int	REACTIVE_CENTER	1024
public static final int	SINGLE_OR_DOUBLE	4096
public static final int	TYPEABLE	2048
public static final int	VISITED	16

org.openscience.cdk.interfaces.IElement

Modifier and Type	Constant Field	Value
public static final int	Ac	89
public static final int	Ag	47
public static final int	Al	13
public static final int	Am	95
public static final int	Ar	18
public static final int	As	33
public static final int	At	85
public static final int	Au	79
public static final int	B	5
public static final int	Ba	56
public static final int	Be	4
public static final int	Bh	107
public static final int	Bi	83
public static final int	Bk	97
public static final int	Br	35
public static final int	C	6
public static final int	Ca	20
public static final int	Cd	48
public static final int	Ce	58
public static final int	Cf	98
public static final int	Cl	17
public static final int	Cm	96
public static final int	Cn	112
public static final int	Co	27
public static final int	Cr	24
public static final int	Cs	55
public static final int	Cu	29
public static final int	Db	105
public static final int	Ds	110
public static final int	Dy	66
public static final int	Er	68
public static final int	Es	99
public static final int	Eu	63
public static final int	F	9
public static final int	Fe	26
public static final int	Fl	114
public static final int	Fm	100
public static final int	Fr	87
public static final int	Ga	31
public static final int	Gd	64
public static final int	Ge	32
public static final int	H	1
public static final int	He	2
public static final int	Hf	72
public static final int	Hg	80
public static final int	Ho	67
public static final int	Hs	108
public static final int	I	53
public static final int	In	49
public static final int	Ir	77
public static final int	K	19
public static final int	Kr	36
public static final int	La	57
public static final int	Li	3
public static final int	Lr	103
public static final int	Lu	71
public static final int	Lv	116
public static final int	Mc	115
public static final int	Md	101
public static final int	Mg	12
public static final int	Mn	25
public static final int	Mo	42
public static final int	Mt	109
public static final int	N	7
public static final int	Na	11
public static final int	Nb	41
public static final int	Nd	60
public static final int	Ne	10
public static final int	Nh	113
public static final int	Ni	28
public static final int	No	102
public static final int	Np	93
public static final int	O	8
public static final int	Og	118
public static final int	Os	76
public static final int	P	15
public static final int	Pa	91
public static final int	Pb	82
public static final int	Pd	46
public static final int	Pm	61
public static final int	Po	84
public static final int	Pr	59
public static final int	Pt	78
public static final int	Pu	94
public static final int	Ra	88
public static final int	Rb	37
public static final int	Re	75
public static final int	Rf	104
public static final int	Rg	111
public static final int	Rh	45
public static final int	Rn	86
public static final int	Ru	44
public static final int	S	16
public static final int	Sb	51
public static final int	Sc	21
public static final int	Se	34
public static final int	Sg	106
public static final int	Si	14
public static final int	Sm	62
public static final int	Sn	50
public static final int	Sr	38
public static final int	Ta	73
public static final int	Tb	65
public static final int	Tc	43
public static final int	Te	52
public static final int	Th	90
public static final int	Ti	22
public static final int	Tl	81
public static final int	Tm	69
public static final int	Ts	117
public static final int	U	92
public static final int	V	23
public static final int	W	74
public static final int	Wildcard	0
public static final int	Xe	54
public static final int	Y	39
public static final int	Yb	70
public static final int	Zn	30
public static final int	Zr	40

org.openscience.cdk.interfaces.IStereoElement<F extends IChemObject,C extends IChemObject>

Modifier and Type	Constant Field	Value
public static final int	AL	17152
public static final int	Allenal	17152
public static final int	AT	17408
public static final int	Atropisomeric	17408
public static final int	CFG_MASK	255
public static final int	CisTrans	8448
public static final int	CLS_MASK	65280
public static final int	CT	8448
public static final int	CU	8704
public static final int	Cumulene	8704
public static final int	GRP_ABS	0
public static final int	GRP_MASK	16711680
public static final int	GRP_NUM_MASK	16515072
public static final int	GRP_NUM_SHIFT	18
public static final int	GRP_RAC	65536
public static final int	GRP_RAC1	327680
public static final int	GRP_RAC2	589824
public static final int	GRP_RAC3	851968
public static final int	GRP_RAC4	1114112
public static final int	GRP_RAC5	1376256
public static final int	GRP_REL	131072
public static final int	GRP_REL1	393216
public static final int	GRP_REL2	655360
public static final int	GRP_REL3	917504
public static final int	GRP_REL4	1179648
public static final int	GRP_REL5	1441792
public static final int	GRP_TYPE_MASK	196608
public static final int	HBPY8	33024
public static final int	HBPY9	37120
public static final int	HeptagonalBipyramidal	37120
public static final int	HexagonalBipyramidal	33024
public static final int	LEFT	1
public static final int	OC	24832
public static final int	Octahedral	24832
public static final int	OPPOSITE	1
public static final int	PBPY	28928
public static final int	PentagonalBipyramidal	28928
public static final int	RIGHT	2
public static final int	SP	17664
public static final int	SP4	17666
public static final int	SPU	17665
public static final int	SPY	20736
public static final int	SPZ	17667
public static final int	SquarePlanar	17664
public static final int	SquarePyramidal	20736
public static final int	TBPY	20992
public static final int	Tetrahedral	16896
public static final int	TH	16896
public static final int	TOGETHER	2
public static final int	TrigonalBipyramidal	20992

org.openscience.cdk.io.GamessReader

Modifier and Type	Constant Field	Value
public static final boolean	ANGSTROM_UNIT	false
public static final double	BOHR_TO_ANGSTROM	0.529177249
public static final boolean	BOHR_UNIT	true
public static final String	UNEXPECTED_END_OF_INPUT	"Unexpected end of input!"

org.openscience.cdk.io.MDLRXNReader

Modifier and Type	Constant Field	Value
public static final String	UNEXPECTED_END_OF_INPUT	"Unexpected end of input"

org.openscience.cdk.io.MDLRXNWriter

Modifier and Type	Constant Field	Value
public static final String	OptWriteAgents	"WriteAgents"

org.openscience.cdk.io.MDLV2000Writer

Modifier and Type	Constant Field	Value
public static final String	OptForceWriteAs2DCoordinates	"ForceWriteAs2DCoordinates"
public static final String	OptProgramName	"ProgramName"
public static final String	OptTruncateLongData	"TruncateLongData"
public static final String	OptWriteAromaticBondTypes	"WriteAromaticBondTypes"
public static final String	OptWriteData	"writeProperties"
public static final String	OptWriteDefaultProperties	"WriteDefaultProperties"
public static final String	OptWriteMajorIsotopes	"WriteMajorIsotopes"
public static final String	OptWriteQueryFormatValencies	"WriteQueryFormatValencies"

org.openscience.cdk.io.MDLV3000Reader

Modifier and Type	Constant Field	Value
public static final String	M_END	"M END"

org.openscience.cdk.io.PDBWriter

Modifier and Type	Constant Field	Value
public final String	ATOM_NAME_FORMAT	"%-5s"
public final String	POSITION_FORMAT	"%8.3f"
public final String	RESIDUE_FORMAT	"%s"
public final String	SERIAL_FORMAT	"%5d"

org.openscience.cdk.io.SDFWriter

Modifier and Type	Constant Field	Value
public static final String	OptAlwaysV3000	"writeV3000"
public static final String	OptTruncateLongData	"TruncateLongData"
public static final String	OptWriteData	"writeProperties"
public static final String	SD_RECORD_DELIM	"$$$$"

org.openscience.cdk.io.cml.CMLCoreModule

Modifier and Type	Constant Field	Value
protected final String	SYSTEMID	"CML-1999-05-15"

org.openscience.cdk.io.cml.CMLErrorHandler

Modifier and Type	Constant Field	Value
public final boolean	abortOnErrors	false
public final boolean	reportErrors	true

org.openscience.cdk.io.iterator.IteratingSMILESReader

Modifier and Type	Constant Field	Value
public static final String	BAD_SMILES_INPUT	"bad.smiles.input"

org.openscience.cdk.io.pubchemxml.PubChemXMLHelper

Modifier and Type	Constant Field	Value
public static final String	EL_ATOM_CONFORMER	"PC-Conformer"
public static final String	EL_ATOM_CONFORMER_X	"PC-Conformer_x"
public static final String	EL_ATOM_CONFORMER_XE	"PC-Conformer_x_E"
public static final String	EL_ATOM_CONFORMER_Y	"PC-Conformer_y"
public static final String	EL_ATOM_CONFORMER_YE	"PC-Conformer_y_E"
public static final String	EL_ATOM_CONFORMER_Z	"PC-Conformer_z"
public static final String	EL_ATOM_CONFORMER_ZE	"PC-Conformer_z_E"
public static final String	EL_ATOMBLOCK	"PC-Atoms"
public static final String	EL_ATOMINT	"PC-AtomInt"
public static final String	EL_ATOMINT_AID	"PC-AtomInt_aid"
public static final String	EL_ATOMINT_VALUE	"PC-AtomInt_value"
public static final String	EL_ATOMSCHARGE	"PC-Atoms_charge"
public static final String	EL_ATOMSELEMENT	"PC-Atoms_element"
public static final String	EL_BONDBLOCK	"PC-Bonds"
public static final String	EL_BONDID1	"PC-Bonds_aid1"
public static final String	EL_BONDID2	"PC-Bonds_aid2"
public static final String	EL_BONDORDER	"PC-Bonds_order"
public static final String	EL_COORDINATES_AID	"PC-Coordinates_aid"
public static final String	EL_COORDINATES_AIDE	"PC-Coordinates_aid_E"
public static final String	EL_COORDINATESBLOCK	"PC-Compound_coords"
public static final String	EL_ELEMENT	"PC-Element"
public static final String	EL_PCCOMPOUND	"PC-Compound"
public static final String	EL_PCCOMPOUND_CID	"PC-CompoundType_id_cid"
public static final String	EL_PCCOMPOUND_ID	"PC-Compound_id"
public static final String	EL_PCCOMPOUNDS	"PC-Compounds"
public static final String	EL_PCID_ID	"PC-ID_id"
public static final String	EL_PCSUBSTANCE	"PC-Substance"
public static final String	EL_PCSUBSTANCE_SID	"PC-Substance_sid"
public static final String	EL_PROPS_BVAL	"PC-InfoData_value_binary"
public static final String	EL_PROPS_FVAL	"PC-InfoData_value_fval"
public static final String	EL_PROPS_INFODATA	"PC-InfoData"
public static final String	EL_PROPS_SVAL	"PC-InfoData_value_sval"
public static final String	EL_PROPS_URNLABEL	"PC-Urn_label"
public static final String	EL_PROPS_URNNAME	"PC-Urn_name"
public static final String	EL_PROPSBLOCK	"PC-Compound_props"

org.openscience.cdk.io.random.RandomAccessReader

Modifier and Type	Constant Field	Value
protected final int	indexVersion	1

org.openscience.cdk.isomorphism.matchers.Expr

Modifier and Type	Constant Field	Value
public static final int	UNKNOWN_STEREO	-1

org.openscience.cdk.isomorphism.matchers.RGroup

Modifier and Type	Constant Field	Value
public static final String	ROOT_LABEL	"Root structure"

org.openscience.cdk.isomorphism.matchers.RGroupList

Modifier and Type	Constant Field	Value
public static final String	DEFAULT_OCCURRENCE	">0"

org.openscience.cdk.isomorphism.matchers.smarts.ReactionRoleQueryAtom

Modifier and Type	Constant Field	Value
public static final int	ROLE_AGENT	2
public static final int	ROLE_ANY	7
public static final int	ROLE_PRODUCT	4
public static final int	ROLE_REACTANT	1

org.openscience.cdk.iupac.parser.NomParserConstants

Modifier and Type	Constant Field	Value
public static final int	A	25
public static final int	ACTINIUM	69
public static final int	AL	49
public static final int	ALUMINIUM	103
public static final int	ALUMINO	41
public static final int	AMERCIUM	135
public static final int	AMIDE	50
public static final int	AMINE	51
public static final int	AMINO	40
public static final int	AN	27
public static final int	ANTIMONY	111
public static final int	ARSENIC	110
public static final int	BARIUM	64
public static final int	BERKELIUM	137
public static final int	BERYLLIUM	60
public static final int	BISMUTH	112
public static final int	BOHRIUM	85
public static final int	BROMO	35
public static final int	BUT	9
public static final int	CADMIUM	101
public static final int	CALCIUM	62
public static final int	CALIFORNIUM	138
public static final int	CERIUM	116
public static final int	CESIUM	58
public static final int	CHLORO	33
public static final int	CHROMIUM	78
public static final int	COBALT	90
public static final int	COMMA	5
public static final int	CONSTANT	2
public static final int	CONT	24
public static final int	COPPER	97
public static final int	COS	23
public static final int	CURIUM	136
public static final int	CYCLO	32
public static final int	DASH	4
public static final int	DEC	22
public static final int	DEFAULT	0
public static final int	DI	31
public static final int	DIGIT	3
public static final int	DO	14
public static final int	DUBNIUM	77
public static final int	DYSPROSIUM	124
public static final int	E	44
public static final int	EICOS	11
public static final int	EINSTEINIUM	139
public static final int	EN	28
public static final int	EOF	0
public static final int	EOL	1
public static final int	ERBIUM	126
public static final int	ETH	7
public static final int	EUROPIUM	121
public static final int	FERMIUM	140
public static final int	FLUORO	34
public static final int	FRANCIUM	59
public static final int	GADOLINIUM	122
public static final int	GALLIUM	104
public static final int	GERMAINIUM	107
public static final int	GOLD	99
public static final int	HAFNIUM	72
public static final int	HASSIUM	89
public static final int	HEN	13
public static final int	HENICOS	12
public static final int	HEPT	19
public static final int	HEX	18
public static final int	HOLMIUM	125
public static final int	HYDROXY	43
public static final int	INDIUM	105
public static final int	IODO	36
public static final int	IRIDIUM	92
public static final int	IRON	86
public static final int	LANTHANUM	68
public static final int	LAWRENCIUM	143
public static final int	LEAD	109
public static final int	LITHIUM	54
public static final int	LITHO	42
public static final int	LUTETIUM	129
public static final int	MAGNESIUM	61
public static final int	MANGANESE	82
public static final int	MECURY	102
public static final int	MEITMERIUM	93
public static final int	MENDELEVIUM	141
public static final int	METH	6
public static final int	MOLYBDENUM	79
public static final int	NEODYMIUM	118
public static final int	NEPTUNIUM	133
public static final int	NICKEL	94
public static final int	NIOBIUM	75
public static final int	NITRILE	48
public static final int	NITRO	37
public static final int	NOBELIUM	142
public static final int	NON	21
public static final int	OATE	53
public static final int	OCT	20
public static final int	OICACID	46
public static final int	OL	45
public static final int	ONE	52
public static final int	OSMIUM	88
public static final int	OXO	38
public static final int	OYLCHLORIDE	47
public static final int	PALLADIUM	95
public static final int	PENT	17
public static final int	PHENYL	39
public static final int	PLATINUM	96
public static final int	PLUTONIUM	134
public static final int	POLONIUM	115
public static final int	POTASSIUM	56
public static final int	PRASEODYMIUM	117
public static final int	PROMETHIUM	119
public static final int	PROP	8
public static final int	PROTACTINIUM	131
public static final int	RADIUM	65
public static final int	RHENIUM	84
public static final int	RHODIUM	91
public static final int	RUBIDIUM	57
public static final int	RUTHENIUM	87
public static final int	RUTHERFORDIUM	73
public static final int	SANARIUM	120
public static final int	SCANDIUM	66
public static final int	SEABORGIUM	81
public static final int	SELENIUM	113
public static final int	SILVER	98
public static final int	SODIUM	55
public static final int	SPACE	26
public static final int	STRONTIUM	63
public static final int	TANTALUM	76
public static final int	TECHNETIUM	83
public static final int	TELLURIUM	114
public static final int	TERBIUM	123
public static final int	TETR	16
public static final int	THALLIUM	106
public static final int	THORIUM	130
public static final int	THULIUM	127
public static final int	TIN	108
public static final int	TITANIUM	70
public static final int	TRI	15
public static final int	TUNGSTEN	80
public static final int	UNDEC	10
public static final int	URANIUM	132
public static final int	VANADIUM	74
public static final int	YL	30
public static final int	YN	29
public static final int	YTTERBIUM	128
public static final int	YTTRIUM	67
public static final int	ZINC	100
public static final int	ZIRCONIUM	71

org.openscience.cdk.iupac.parser.SimpleCharStream

Modifier and Type	Constant Field	Value
public static final boolean	staticFlag	false

org.openscience.cdk.iupac.parser.TokenMgrError

Modifier and Type	Constant Field	Value
public static final int	INVALID_LEXICAL_STATE	2
public static final int	LEXICAL_ERROR	0
public static final int	LOOP_DETECTED	3
public static final int	STATIC_LEXER_ERROR	1

org.openscience.cdk.layout.AtomPlacer

Modifier and Type	Constant Field	Value
public static final boolean	debug	true
public static final String	PRIORITY	"Weight"

org.openscience.cdk.libio.cml.Convertor

Modifier and Type	Constant Field	Value
public static final String	NS_CML	"http://www.xml-cml.org/schema"

org.openscience.cdk.libio.jena.CDK

Modifier and Type	Constant Field	Value
public static final String	URI	"http://cdk.sourceforge.net/model.owl#"

org.openscience.cdk.modeling.builder3d.AtomTetrahedralLigandPlacer3D

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_BOND_LENGTH_H	1.0

org.openscience.cdk.modeling.builder3d.TemplateHandler3D

Modifier and Type	Constant Field	Value
public static final String	TEMPLATE_PATH	"data/ringTemplateStructures.sdf.gz"

org.openscience.cdk.protein.data.PDBStructure

Modifier and Type	Constant Field	Value
public static final String	HELIX	"helix"
public static final String	SHEET	"sheet"
public static final String	TURN	"turn"

org.openscience.cdk.qsar.descriptors.molecular.LongestAliphaticChainDescriptor

Modifier and Type	Constant Field	Value
public static final String	CHECK_RING_SYSTEM	"checkRingSystem"

org.openscience.cdk.qsar.descriptors.molecular.MDEDescriptor

Modifier and Type	Constant Field	Value
public static final int	MDEC11	0
public static final int	MDEC12	1
public static final int	MDEC13	2
public static final int	MDEC14	3
public static final int	MDEC22	4
public static final int	MDEC23	5
public static final int	MDEC24	6
public static final int	MDEC33	7
public static final int	MDEC34	8
public static final int	MDEC44	9
public static final int	MDEN11	13
public static final int	MDEN12	14
public static final int	MDEN13	15
public static final int	MDEN22	16
public static final int	MDEN23	17
public static final int	MDEN33	18
public static final int	MDEO11	10
public static final int	MDEO12	11
public static final int	MDEO22	12

org.openscience.cdk.renderer.AtomContainerRenderer

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_SCALE	30.0

org.openscience.cdk.renderer.GraphRendererModel

Modifier and Type	Constant Field	Value
public static final int	BELOWAREA	1
public static final int	NORMAL	0
public static final int	OVERAREA	2

org.openscience.cdk.renderer.elements.GeneralPath

Modifier and Type	Constant Field	Value
public static final int	WIND_EVEN_ODD	0
public static final int	WIND_NON_ZERO	1

org.openscience.cdk.renderer.generators.HighlightGenerator

Modifier and Type	Constant Field	Value
public static final String	ID_MAP	"cdk.highlight.id"

org.openscience.cdk.renderer.generators.standard.StandardGenerator

Modifier and Type	Constant Field	Value
public static final String	ANNOTATION_LABEL	"stdgen.annotation.label"
public static final String	HIDDEN	"stdgen.hidden"
public static final String	HIDDEN_FULLY	"stdgen.hidden.fully"
public static final String	HIGHLIGHT_COLOR	"stdgen.highlight.color"
public static final String	ITALIC_DISPLAY_PREFIX	"std.itl:"
public static final String	LABEL_ALIGN	"stdgen.label.alignment"

org.openscience.cdk.ringsearch.RingPartitioner

Modifier and Type	Constant Field	Value
public static final boolean	debug	false

org.openscience.cdk.silent.AtomContainerLegacy

Modifier and Type	Constant Field	Value
protected final int	growArraySize	10

org.openscience.cdk.silent.ChemSequence

Modifier and Type	Constant Field	Value
protected final int	growArraySize	4

org.openscience.cdk.silent.LonePair

Modifier and Type	Constant Field	Value
protected final int	electronCount	2

org.openscience.cdk.silent.PDBStructure

Modifier and Type	Constant Field	Value
public static final String	HELIX	"helix"
public static final String	SHEET	"sheet"
public static final String	TURN	"turn"

org.openscience.cdk.silent.Reaction

Modifier and Type	Constant Field	Value
protected final int	growArraySize	3

org.openscience.cdk.silent.RingSet

Modifier and Type	Constant Field	Value
public static final int	LARGE_FIRST	1
public static final int	SMALL_FIRST	2

org.openscience.cdk.silent.SingleElectron

Modifier and Type	Constant Field	Value
protected final int	electronCount	1

org.openscience.cdk.similarity.Tanimoto

Modifier and Type	Constant Field	Value
public static final String	EMPTY_FINGERPRINTS_PROVIDED	"Cannot compute Tanimoto of two empty fingerprints!"

org.openscience.cdk.smarts.Smarts

Modifier and Type	Constant Field	Value
public static final int	FLAVOR_CACTVS	4
public static final int	FLAVOR_CDK	1
public static final int	FLAVOR_CDK_LEGACY	64
public static final int	FLAVOR_DAYLIGHT	2
public static final int	FLAVOR_LOOSE	1
public static final int	FLAVOR_MOE	8
public static final int	FLAVOR_OECHEM	16

org.openscience.cdk.smarts.SmartsFragmentExtractor

Modifier and Type	Constant Field	Value
public static final int	MODE_EXACT	2
public static final int	MODE_JCOMPOUNDMAPPER	1

org.openscience.cdk.smiles.InvPair

Modifier and Type	Constant Field	Value
public static final String	CANONICAL_LABEL	"CanonicalLabel"
public static final String	INVARIANCE_PAIR	"InvariancePair"

org.openscience.cdk.smiles.SmiFlavor

Modifier and Type	Constant Field	Value
public static final int	Absolute	218105609
public static final int	AtomAtomMap	4
public static final int	AtomAtomMapRenumber	33554437
public static final int	AtomicMass	8
public static final int	AtomicMassStrict	2048
public static final int	Canonical	1
public static final int	Cx2dCoordinates	4096
public static final int	Cx3dCoordinates	8192
public static final int	CxAtomLabel	32768
public static final int	CxAtomValue	65536
public static final int	CxCoordinates	12288
public static final int	CxDataSgroups	4194304
public static final int	CxEnhancedStereo	8388864
public static final int	CxFragmentGroup	1048576
public static final int	CxLigandOrder	2097152
public static final int	CxMulticenter	262144
public static final int	CxPolymer	524288
public static final int	CxRadical	131072
public static final int	CxSmiles	12550400
public static final int	CxSmilesWithCoords	12562688
public static final int	Default	230655752
public static final int	Generic	0
public static final int	InChILabelling	3
public static final int	Isomeric	218105608
public static final int	Stereo	218105600
public static final int	StereoCisTrans	512
public static final int	StereoExCisTrans	1280
public static final int	StereoExTetrahedral	1024
public static final int	StereoOctahedral	134217728
public static final int	StereoSquarePlanar	16777216
public static final int	StereoTetrahedral	256
public static final int	StereoTrigonalBipyramidal	67108864
public static final int	Unique	1
public static final int	UniversalSmiles	218105611
public static final int	UseAromaticSymbols	16

org.openscience.cdk.smiles.smarts.parser.SimpleCharStream

Modifier and Type	Constant Field	Value
public static final boolean	staticFlag	false

org.openscience.cdk.smiles.smarts.parser.SMARTSParserConstants

Modifier and Type	Constant Field	Value
public static final int	a	34
public static final int	A	35
public static final int	AC	117
public static final int	AG	90
public static final int	AL	61
public static final int	AM	122
public static final int	ANY_BOND	14
public static final int	AR	63
public static final int	AR_BOND	13
public static final int	as	21
public static final int	AS	77
public static final int	AT	113
public static final int	ATOM_EXPRESSION	0
public static final int	AU	107
public static final int	B	23
public static final int	BA	98
public static final int	BE	57
public static final int	BI	111
public static final int	BK	124
public static final int	BR	31
public static final int	c	16
public static final int	C	24
public static final int	CA	65
public static final int	CARET	36
public static final int	CD	91
public static final int	CE	132
public static final int	CF	125
public static final int	CL	30
public static final int	CM	123
public static final int	CO	71
public static final int	CR	68
public static final int	CS	97
public static final int	CU	73
public static final int	D	46
public static final int	D_BOND	11
public static final int	DEFAULT	1
public static final int	DIGIT	38
public static final int	DN_OR_UNSPECIFIED_S_BOND	10
public static final int	DN_S_BOND	8
public static final int	DOLLAR	43
public static final int	DY	139
public static final int	EOF	0
public static final int	ER	141
public static final int	ES	126
public static final int	EU	136
public static final int	F	27
public static final int	FE	70
public static final int	FM	127
public static final int	FR	115
public static final int	G	52
public static final int	GA	75
public static final int	GD	137
public static final int	GE	76
public static final int	h	45
public static final int	H	54
public static final int	H_AND	3
public static final int	HE	55
public static final int	HF	100
public static final int	HG	108
public static final int	HO	140
public static final int	HX	53
public static final int	I	32
public static final int	IN	92
public static final int	IR	105
public static final int	K	64
public static final int	KR	79
public static final int	L_AND	2
public static final int	L_BRACKET	39
public static final int	L_PAREN	40
public static final int	LA	99
public static final int	LI	56
public static final int	LR	130
public static final int	LU	144
public static final int	MD	128
public static final int	MG	60
public static final int	MN	69
public static final int	MO	85
public static final int	n	17
public static final int	N	25
public static final int	NA	59
public static final int	NB	84
public static final int	ND	133
public static final int	NE	58
public static final int	NI	72
public static final int	NO	129
public static final int	NOT	5
public static final int	NP	131
public static final int	o	18
public static final int	O	26
public static final int	OR	4
public static final int	OS	104
public static final int	p	20
public static final int	P	28
public static final int	PA	119
public static final int	PB	110
public static final int	PD	89
public static final int	PLUS	44
public static final int	PM	134
public static final int	PO	112
public static final int	PR	145
public static final int	PT	106
public static final int	PU	121
public static final int	Q_MARK	37
public static final int	r	48
public static final int	R	47
public static final int	R_BOND	15
public static final int	R_BRACKET	42
public static final int	R_PAREN	41
public static final int	RA	116
public static final int	RB	80
public static final int	RE	103
public static final int	RH	88
public static final int	RN	114
public static final int	RU	87
public static final int	s	19
public static final int	S	29
public static final int	S_BOND	6
public static final int	SB	94
public static final int	SC	146
public static final int	se	22
public static final int	SE	78
public static final int	SI	62
public static final int	SM	135
public static final int	SN	93
public static final int	SR	81
public static final int	T_BOND	12
public static final int	TA	101
public static final int	TB	138
public static final int	TC	86
public static final int	TE	95
public static final int	TH	118
public static final int	TI	66
public static final int	TL	109
public static final int	TM	142
public static final int	U	120
public static final int	UP_OR_UNSPECIFIED_S_BOND	9
public static final int	UP_S_BOND	7
public static final int	v	49
public static final int	V	67
public static final int	W	102
public static final int	WILDCARD	33
public static final int	WS	1
public static final int	x	51
public static final int	X	50
public static final int	XE	96
public static final int	Y	82
public static final int	YB	143
public static final int	ZN	74
public static final int	ZR	83

org.openscience.cdk.smiles.smarts.parser.SMARTSParserTreeConstants

Modifier and Type	Constant Field	Value
public static final int	JJTALIPHATIC	31
public static final int	JJTANYATOM	34
public static final int	JJTAROMATIC	33
public static final int	JJTATOM	4
public static final int	JJTATOMICMASS	35
public static final int	JJTATOMICNUMBER	22
public static final int	JJTCHARGE	24
public static final int	JJTCHIRALITY	37
public static final int	JJTELEMENT	38
public static final int	JJTEXPLICITATOM	11
public static final int	JJTEXPLICITCONNECTIVITY	21
public static final int	JJTEXPLICITHIGHANDBOND	7
public static final int	JJTEXPLICITHIGHANDEXPRESSION	14
public static final int	JJTGROUP	2
public static final int	JJTHYBRDIZATIONNUMBER	23
public static final int	JJTIMPLICITHCOUNT	20
public static final int	JJTIMPLICITHIGHANDBOND	8
public static final int	JJTIMPLICITHIGHANDEXPRESSION	15
public static final int	JJTLOWANDBOND	5
public static final int	JJTLOWANDEXPRESSION	12
public static final int	JJTNONCHHEAVYATOM	32
public static final int	JJTNOTBOND	9
public static final int	JJTNOTEXPRESSION	16
public static final int	JJTORBOND	6
public static final int	JJTOREXPRESSION	13
public static final int	JJTPERIODICGROUPNUMBER	26
public static final int	JJTREACTION	1
public static final int	JJTRECURSIVESMARTSEXPRESSION	17
public static final int	JJTRINGCONNECTIVITY	25
public static final int	JJTRINGIDENTIFIER	36
public static final int	JJTRINGMEMBERSHIP	29
public static final int	JJTSIMPLEBOND	10
public static final int	JJTSMALLESTRINGSIZE	30
public static final int	JJTSMARTS	3
public static final int	JJTSTART	0
public static final int	JJTTOTALCONNECTIVITY	27
public static final int	JJTTOTALHCOUNT	19
public static final int	JJTVALENCE	28
public static final int	JJTVOID	18

org.openscience.cdk.smiles.smarts.parser.TokenMgrError

Modifier and Type	Constant Field	Value
public static final int	INVALID_LEXICAL_STATE	2
public static final int	LEXICAL_ERROR	0
public static final int	LOOP_DETECTED	3
public static final int	STATIC_LEXER_ERROR	1

org.openscience.cdk.stereo.Atropisomeric

Modifier and Type	Constant Field	Value
protected static final int	A	0
protected static final int	B	1
protected static final int	C	2
protected static final int	D	3
protected static final int	E	4
protected static final int	F	5

org.openscience.cdk.stereo.DoubleBondStereochemistry

Modifier and Type	Constant Field	Value
protected static final int	A	0
protected static final int	B	1
protected static final int	C	2
protected static final int	D	3
protected static final int	E	4
protected static final int	F	5

org.openscience.cdk.stereo.ExtendedCisTrans

Modifier and Type	Constant Field	Value
protected static final int	A	0
protected static final int	B	1
protected static final int	C	2
protected static final int	D	3
protected static final int	E	4
protected static final int	F	5

org.openscience.cdk.stereo.ExtendedTetrahedral

Modifier and Type	Constant Field	Value
protected static final int	A	0
protected static final int	B	1
protected static final int	C	2
protected static final int	D	3
protected static final int	E	4
protected static final int	F	5

org.openscience.cdk.stereo.Octahedral

Modifier and Type	Constant Field	Value
protected static final int	A	0
protected static final int	B	1
protected static final int	C	2
protected static final int	D	3
protected static final int	E	4
protected static final int	F	5

org.openscience.cdk.stereo.SquarePlanar

Modifier and Type	Constant Field	Value
protected static final int	A	0
protected static final int	B	1
protected static final int	C	2
protected static final int	D	3
protected static final int	E	4
protected static final int	F	5

org.openscience.cdk.stereo.StereoTool

Modifier and Type	Constant Field	Value
public static final double	MAX_AXIS_ANGLE	0.95
public static final double	MIN_COLINEAR_NORMAL	0.05
public static final double	PLANE_TOLERANCE	0.05

org.openscience.cdk.stereo.TetrahedralChirality

Modifier and Type	Constant Field	Value
protected static final int	A	0
protected static final int	B	1
protected static final int	C	2
protected static final int	D	3
protected static final int	E	4
protected static final int	F	5

org.openscience.cdk.stereo.TrigonalBipyramidal

Modifier and Type	Constant Field	Value
protected static final int	A	0
protected static final int	B	1
protected static final int	C	2
protected static final int	D	3
protected static final int	E	4
protected static final int	F	5

org.openscience.cdk.structgen.stochastic.operator.CrossoverMachine

Modifier and Type	Constant Field	Value
public static final int	SPLIT_MODE_BREADTH_FIRST	2
public static final int	SPLIT_MODE_DEPTH_FIRST	1
public static final int	SPLIT_MODE_RADNDOM	0

org.openscience.cdk.tautomers.InChITautomerGenerator

Modifier and Type	Constant Field	Value
public static final int	KETO_ENOL	1
public static final int	ONE_FIVE_SHIFT	2

org.openscience.cdk.templates.AminoAcids

Modifier and Type	Constant Field	Value
public static final String	ID	"id"
public static final String	NO_ATOMS	"noOfAtoms"
public static final String	NO_BONDS	"noOfBonds"
public static final String	RESIDUE_NAME	"residueName"
public static final String	RESIDUE_NAME_SHORT	"residueNameShort"

org.openscience.cdk.tools.AtomTypeTools

Modifier and Type	Constant Field	Value
public static final int	BENZENE_RING	5
public static final int	FURAN_RING	6
public static final int	PYRIDINE_RING	10
public static final int	PYRIMIDINE_RING	12
public static final int	PYROLE_RING	4
public static final int	THIOPHENE_RING	8

org.openscience.cdk.tools.DataFeatures

Modifier and Type	Constant Field	Value
public static final int	HAS_2D_COORDINATES	1
public static final int	HAS_3D_COORDINATES	2
public static final int	HAS_ATOM_ELEMENT_SYMBOL	8
public static final int	HAS_ATOM_FORMAL_CHARGES	32
public static final int	HAS_ATOM_HYBRIDIZATIONS	64
public static final int	HAS_ATOM_ISOTOPE_NUMBERS	256
public static final int	HAS_ATOM_MASS_NUMBERS	128
public static final int	HAS_ATOM_PARTIAL_CHARGES	16
public static final int	HAS_DIETZ_REPRESENTATION	1024
public static final int	HAS_FRACTIONAL_CRYSTAL_COORDINATES	4
public static final int	HAS_GRAPH_REPRESENTATION	512
public static final int	HAS_REACTIONS	4096
public static final int	HAS_UNITCELL_PARAMETERS	2048
public static final int	NONE	0

org.openscience.cdk.tools.HOSECodeGenerator

Modifier and Type	Constant Field	Value
public static final int	LEGACY_MODE	1

org.openscience.cdk.tools.IDCreator

Modifier and Type	Constant Field	Value
public static final int	OBJECT_UNIQUE_POLICY	1
public static final int	SET_UNIQUE_POLICY	0

org.openscience.cdk.tools.ILoggingTool

Modifier and Type	Constant Field	Value
public static final int	DEBUG	1
public static final int	DEFAULT_STACK_LENGTH	5
public static final int	ERROR	4
public static final int	FATAL	5
public static final int	INFO	2
public static final int	OFF	6
public static final int	TRACE	0
public static final int	WARN	3

org.openscience.cdk.tools.LoggingToolFactory

Modifier and Type	Constant Field	Value
public static final String	DEFAULT_LOGGING_TOOL_CLASS	"org.openscience.cdk.tools.Slf4jLoggingTool"

org.openscience.cdk.tools.SugarRemovalUtility

Modifier and Type	Constant Field	Value
public static final boolean	DETECT_CIRCULAR_SUGARS_ONLY_WITH_ENOUGH_EXOCYCLIC_OXYGEN_ATOMS_DEFAULT	true
public static final boolean	DETECT_CIRCULAR_SUGARS_ONLY_WITH_O_GLYCOSIDIC_BOND_DEFAULT	false
public static final boolean	DETECT_CIRCULAR_SUGARS_WITH_KETO_GROUPS_DEFAULT	false
public static final boolean	DETECT_LINEAR_ACIDIC_SUGARS_DEFAULT	false
public static final boolean	DETECT_LINEAR_SUGARS_IN_RINGS_DEFAULT	false
public static final boolean	DETECT_SPIRO_RINGS_AS_CIRCULAR_SUGARS_DEFAULT	false
public static final double	EXOCYCLIC_OXYGEN_ATOMS_TO_ATOMS_IN_RING_RATIO_THRESHOLD_DEFAULT	0.5
public static final String	INDEX_PROPERTY_KEY	"SUGAR_REMOVAL_UTILITY_UNIQUE_ATOM_INDEX"
public static final String	IS_SPIRO_ATOM_PROPERTY_KEY	"SUGAR_REMOVAL_UTILITY_IS_SPIRO_ATOM"
public static final int	LINEAR_SUGAR_CANDIDATE_MAX_SIZE_DEFAULT	7
public static final int	LINEAR_SUGAR_CANDIDATE_MIN_SIZE_DEFAULT	4
public static final boolean	REMOVE_ONLY_TERMINAL_SUGARS_DEFAULT	true
public static final String	TOO_SMALL_DISCONNECTED_PART_TO_PRESERVE_PROPERTY_KEY	"SUGAR_REMOVAL_UTILITY_TOO_SMALL_DISCONNECTED_PART_TO_PRESERVE"

org.openscience.cdk.tools.SwissArmyKnife

Modifier and Type	Constant Field	Value
public static final boolean	debug	false

org.openscience.cdk.tools.manipulator.AtomContainerManipulator

Modifier and Type	Constant Field	Value
public static final int	MolWeight	1
public static final int	MolWeightIgnoreSpecified	2
public static final int	MonoIsotopic	3
public static final int	MostAbundant	4

org.openscience.cdk.tools.manipulator.MolecularFormulaManipulator

Modifier and Type	Constant Field	Value
public static final int	MolWeight	1
public static final int	MolWeightIgnoreSpecified	2
public static final int	MonoIsotopic	3
public static final int	MostAbundant	4

org.openscience.cdk.tools.manipulator.RingSizeComparator

Modifier and Type	Constant Field	Value
public static final int	LARGE_FIRST	1
public static final int	SMALL_FIRST	2

org.openscience.cdk.validate.ProblemMarker

Modifier and Type	Constant Field	Value
public static final String	ERROR_MARKER	"org.openscience.cdk.validate.error"
public static final String	WARNING_MARKER	"org.openscience.cdk.validate.warning"