Modifier and Type | Constant Field | Value |
---|---|---|
protected final int |
electronCount |
0 |
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_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 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 |
Modifier and Type | Constant Field | Value |
---|---|---|
protected final int |
electronCount |
2 |
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 |
Modifier and Type | Constant Field | Value |
---|---|---|
protected final int |
electronCount |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
REQUIRE_EXPLICIT_HYDROGENS |
2 |
public static final int |
REQUIRE_NOTHING |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
MMFF_94_CHARGE |
"MMFF94charge" |
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" |
Modifier and Type | Constant Field | Value |
---|---|---|
protected static final double |
DEFAULT_PADDING_FACTOR |
2.0 |
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" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
DICTREFPROPERTYNAME |
"org.openscience.cdk.dict" |
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 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_SEARCH_DEPTH |
7 |
public static final int |
DEFAULT_SIZE |
1024 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
FP_SIZE |
881 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_SIZE |
1024 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
HYDROGEN |
-1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final boolean |
DEBUG |
false |
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 |
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 |
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 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
OptForceWriteAs2DCoordinates |
"ForceWriteAs2DCoordinates" |
public static final String |
OptWriteAromaticBondTypes |
"WriteAromaticBondTypes" |
public static final String |
OptWriteDefaultProperties |
"WriteDefaultProperties" |
public static final String |
OptWriteMajorIsotopes |
"WriteMajorIsotopes" |
public static final String |
OptWriteQueryFormatValencies |
"WriteQueryFormatValencies" |
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" |
Modifier and Type | Constant Field | Value |
---|---|---|
protected final String |
SYSTEMID |
"CML-1999-05-15" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
BAD_SMILES_INPUT |
"bad.smiles.input" |
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" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
UNKNOWN_STEREO |
-1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
ROOT_LABEL |
"Root structure" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
DEFAULT_OCCURRENCE |
">0" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final boolean |
debug |
true |
public static final String |
PRIORITY |
"Weight" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final double |
DEFAULT_BOND_LENGTH |
1.5 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
NS_CML |
"http://www.xml-cml.org/schema" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
URI |
"http://cdk.sourceforge.net/model.owl#" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final double |
DEFAULT_BOND_LENGTH_H |
1.0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
TEMPLATE_PATH |
"data/ringTemplateStructures.sdf.gz" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
HELIX |
"helix" |
public static final String |
SHEET |
"sheet" |
public static final String |
TURN |
"turn" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
CHECK_RING_SYSTEM |
"checkRingSystem" |
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 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final double |
DEFAULT_SCALE |
30.0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
WIND_EVEN_ODD |
0 |
public static final int |
WIND_NON_ZERO |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
ID_MAP |
"cdk.highlight.id" |
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:" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final boolean |
debug |
false |
Modifier and Type | Constant Field | Value |
---|---|---|
protected final int |
electronCount |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
HELIX |
"helix" |
public static final String |
SHEET |
"sheet" |
public static final String |
TURN |
"turn" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
LARGE_FIRST |
1 |
public static final int |
SMALL_FIRST |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
protected final int |
electronCount |
1 |
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 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
MODE_EXACT |
2 |
public static final int |
MODE_JCOMPOUNDMAPPER |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final String |
CANONICAL_LABEL |
"CanonicalLabel" |
public static final String |
INVARIANCE_PAIR |
"InvariancePair" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
Absolute |
1801 |
public static final int |
AtomAtomMap |
4 |
public static final int |
AtomAtomMapRenumber |
2097157 |
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 |
CxFragmentGroup |
1048576 |
public static final int |
CxMulticenter |
262144 |
public static final int |
CxPolymer |
524288 |
public static final int |
CxRadical |
131072 |
public static final int |
CxSmiles |
2064384 |
public static final int |
CxSmilesWithCoords |
2076672 |
public static final int |
Default |
2066184 |
public static final int |
Generic |
0 |
public static final int |
InChILabelling |
3 |
public static final int |
Isomeric |
1800 |
public static final int |
Stereo |
1792 |
public static final int |
StereoCisTrans |
512 |
public static final int |
StereoExCisTrans |
1280 |
public static final int |
StereoExTetrahedral |
1024 |
public static final int |
StereoTetrahedral |
256 |
public static final int |
Unique |
1 |
public static final int |
UniversalSmiles |
1803 |
public static final int |
UseAromaticSymbols |
16 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
KETO_ENOL |
1 |
public static final int |
ONE_FIVE_SHIFT |
2 |
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" |
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 |
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 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
OBJECT_UNIQUE_POLICY |
1 |
public static final int |
SET_UNIQUE_POLICY |
0 |
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 |
TRACE |
0 |
public static final int |
WARN |
3 |
Modifier and Type | Constant Field | Value |
---|---|---|
public final int |
DEFAULT_STACK_LENGTH |
5 |
Modifier and Type | Constant Field | Value |
---|---|---|
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" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
LARGE_FIRST |
1 |
public static final int |
SMALL_FIRST |
2 |
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" |
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