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Constant Field Values

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org.openscience.*

org.openscience.cdk.CDKConstants
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 COMMENT "cdk:Comment"
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 9
public static final int IS_HYDROGENBOND_DONOR 8
public static final int IS_TYPEABLE 11
public static final int ISALIPHATIC 3
public static final int ISAROMATIC 5
public static final int ISCONJUGATED 6
public static final int ISINRING 1
public static final int ISNOTINRING 2
public static final String ISOTROPIC_SHIELDING "cdk:IsotropicShielding"
public static final int ISPLACED 0
public static final String LONE_PAIR_COUNT "cdk:Lone Pair Count"
public static final int MAPPED 7
public static final int MAX_FLAG_INDEX 12
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 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 int REACTIVE_CENTER 10
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 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 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 4

org.openscience.cdk.PhysicalConstants
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.atomtype.CDKAtomTypeMatcher
public static final int REQUIRE_EXPLICIT_HYDROGENS 2
public static final int REQUIRE_NOTHING 1

org.openscience.cdk.config.AtomTypeFactory
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.dict.DictionaryDatabase
public static final String DICTREFPROPERTYNAME "org.openscience.cdk.dict"

org.openscience.cdk.fingerprint.Fingerprinter
public static final int DEFAULT_SEARCH_DEPTH 8
public static final int DEFAULT_SIZE 1024

org.openscience.cdk.fingerprint.HybridizationFingerprinter
public static final int DEFAULT_SEARCH_DEPTH 8
public static final int DEFAULT_SIZE 1024

org.openscience.cdk.fingerprint.PubchemFingerprinter
public static final int FP_SIZE 881

org.openscience.cdk.geometry.cip.CIPTool
public static final int HYDROGEN -1

org.openscience.cdk.graph.PathTools
public static final boolean DEBUG false

org.openscience.cdk.io.GamessReader
public static final boolean ANGSTROM_UNIT false
public static final double BOHR_TO_ANGSTROM 0.529177249
public static final boolean BOHR_UNIT true

org.openscience.cdk.io.PDBWriter
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.pubchemxml.PubChemXMLHelper
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.isomorphism.matchers.RGroup
public static final String ROOT_LABEL "Root structure"

org.openscience.cdk.isomorphism.matchers.RGroupList
public static final String DEFAULT_OCCURRENCE ">0"

org.openscience.cdk.iupac.parser.NomParserConstants
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
public static final boolean staticFlag false

org.openscience.cdk.layout.AtomPlacer
public static final boolean debug true

org.openscience.cdk.layout.HydrogenPlacer
public static final boolean debug false
public static final boolean debug1 false

org.openscience.cdk.libio.cml.Convertor
public static final String NS_CML "http://www.xml-cml.org/schema"

org.openscience.cdk.libio.jena.CDK
public static final String URI "http://cdk.sourceforge.net/model.owl#"

org.openscience.cdk.modeling.builder3d.AtomTetrahedralLigandPlacer3D
public static final double DEFAULT_BOND_LENGTH_H 1.0

org.openscience.cdk.protein.data.PDBStructure
public static final String HELIX "helix"
public static final String SHEET "sheet"
public static final String TURN "turn"

org.openscience.cdk.qsar.DescriptorEngine
public static final int ATOMIC 1
public static final int BOND 2
public static final int MOLECULAR 3

org.openscience.cdk.qsar.descriptors.molecular.MDEDescriptor
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
public static final double DEFAULT_SCALE 30.0

org.openscience.cdk.renderer.GraphRendererModel
public static final int BELOWAREA 1
public static final int NORMAL 0
public static final int OVERAREA 2

org.openscience.cdk.renderer.JCPAction2D
public static final String actionSuffix "Action"
public static final String imageSuffix "Image"
public static final String labelSuffix "Label"

org.openscience.cdk.ringsearch.RingPartitioner
public static final boolean debug false

org.openscience.cdk.silent.PDBStructure
public static final String HELIX "helix"
public static final String SHEET "sheet"
public static final String TURN "turn"

org.openscience.cdk.silent.RingSet
public static final int LARGE_FIRST 1
public static final int SMALL_FIRST 2

org.openscience.cdk.smiles.InvPair
public static final String CANONICAL_LABEL "CanonicalLabel"
public static final String INVARIANCE_PAIR "InvariancePair"

org.openscience.cdk.smiles.smarts.parser.SimpleCharStream
public static final boolean staticFlag false

org.openscience.cdk.smiles.smarts.parser.SMARTSParserConstants
public static final int _WS 1
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 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
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.stereo.StereoTool
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.structgen.stochastic.operator.CrossoverMachine
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.templates.AminoAcids
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.DataFeatures
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.IDCreator
public static final int OBJECT_UNIQUE_POLICY 1
public static final int SET_UNIQUE_POLICY 0

org.openscience.cdk.tools.ILoggingTool
public static final int DEFAULT_STACK_LENGTH 5

org.openscience.cdk.tools.LoggingTool
public final int DEFAULT_STACK_LENGTH 5

org.openscience.cdk.tools.LoggingToolFactory
public static final String DEFAULT_LOGGING_TOOL_CLASS "org.openscience.cdk.tools.LoggingTool"
public static final String STDOUT_LOGGING_TOOL_CLASS "org.openscience.cdk.tools.SystemOutLoggingTool"

org.openscience.cdk.tools.SwissArmyKnife
public static final boolean debug false

org.openscience.cdk.tools.manipulator.RingSizeComparator
public static final int LARGE_FIRST 1
public static final int SMALL_FIRST 2

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