Modifier and Type | Constant Field | Value |
---|---|---|
protected static final double |
DEBYE_TO_EA |
0.20822678 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
C_SHIFT_PROP_NAME |
"13C" |
public static final java.lang.String |
H_SHIFT_PROP_NAME |
"1H" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
EVEN |
2 |
public static final int |
ODD |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_CONTRACTED |
"contracted" |
public static final java.lang.String |
PROPERTY_KEY_EXCLUDED |
"excluded" |
public static final java.lang.String |
PROPERTY_KEY_EXPANDED |
"expanded" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_CONTRACTED |
"searchContracted" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_EXCLUDED |
"searchExcluded" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_EXPANDED |
"searchExpanded" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_AROM_TYPE |
"aromType" |
public static final java.lang.String |
PROPERTY_KEY_TYPE |
"type" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_AROMATCITY |
"aromaticity" |
public static final java.lang.String |
PROPERTY_KEY_AROMATICITY_CHECKING |
"aromaticityChecking" |
public static final java.lang.String |
PROPERTY_KEY_CONNECTION_COUNT |
"connectionCount" |
public static final java.lang.String |
PROPERTY_KEY_CONNECTION_COUNT_CHECKING |
"conncetionCountChecking" |
public static final java.lang.String |
PROPERTY_KEY_EXPLICIT_CONNECTION_COUNT |
"explicitConnectionCount" |
public static final java.lang.String |
PROPERTY_KEY_EXPLICIT_CONNECTION_COUNT_CHECKING |
"explicitConnectionCountChecking" |
public static final java.lang.String |
PROPERTY_KEY_HYDROGEN_COUNT |
"hydrogenCount" |
public static final java.lang.String |
PROPERTY_KEY_HYDROGEN_COUNT_CHECKING |
"hydrogenCountChecking" |
public static final java.lang.String |
PROPERTY_KEY_IMPLICIT_HYDROGEN_COUNT |
"implicitHydrogenCount" |
public static final java.lang.String |
PROPERTY_KEY_IMPLICIT_HYDROGEN_COUNT_CHECKING |
"implicitHydrogenCountChecking" |
public static final java.lang.String |
PROPERTY_KEY_RING_BOND_COUNT |
"ringBondCount" |
public static final java.lang.String |
PROPERTY_KEY_RING_BOND_COUNT_CHECKING |
"ringBondCountChecking" |
public static final java.lang.String |
PROPERTY_KEY_RING_COUNT |
"ringCount" |
public static final java.lang.String |
PROPERTY_KEY_RING_COUNT_CHECKING |
"ringCountChecking" |
public static final java.lang.String |
PROPERTY_KEY_SMALLEST_RING_SIZE |
"smallestRingSize" |
public static final java.lang.String |
PROPERTY_KEY_SMALLEST_RING_SIZE_CHECKING |
"smallestRingSizeChecking" |
public static final java.lang.String |
PROPERTY_KEY_SUBSTITUTION_COUNT |
"substitutionCount" |
public static final java.lang.String |
PROPERTY_KEY_SUBSTITUTION_COUNT_CHECKING |
"substitutionCountChecing" |
public static final java.lang.String |
PROPERTY_KEY_UNSATURATION |
"unsaturation" |
public static final java.lang.String |
PROPERTY_KEY_UNSATURATION_CHECKING |
"unsaturationChecking" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_TYPES |
"types" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_BRIDGEHEAD |
"bridgehead" |
public static final java.lang.String |
PROPERTY_KEY_CHARGED |
"charged" |
public static final java.lang.String |
PROPERTY_KEY_H_CONNECTED |
"hconnected" |
public static final java.lang.String |
PROPERTY_KEY_ISOTOPIC |
"isotopic" |
public static final java.lang.String |
PROPERTY_KEY_LONELY |
"lonely" |
public static final java.lang.String |
PROPERTY_KEY_MAPPED |
"mapped" |
public static final java.lang.String |
PROPERTY_KEY_POLYMER_END_GROUP |
"polymerendgroup" |
public static final java.lang.String |
PROPERTY_KEY_RADICAL |
"radical" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_BRIDGEHEAD |
"searchBridgehead" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_CHARGED |
"searchCharged" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_H_CONNECTED |
"searchHconnected" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_ISOTOPIC |
"searchIsotopic" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_LONELY |
"searchLonely" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_MAPPED |
"searchMapped" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_POLYMER_END_GROUP |
"searchPolymerendgroup" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_RADICAL |
"searchRadical" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_SGROUP |
"searchSgroup" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_SGROUP_END |
"searchSgroupend" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_VALENCE_ERROR |
"searchValenceerror" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_WEDGED |
"searchWedged" |
public static final java.lang.String |
PROPERTY_KEY_SGROUP |
"sgroup" |
public static final java.lang.String |
PROPERTY_KEY_SGROUP_END |
"sgroupend" |
public static final java.lang.String |
PROPERTY_KEY_VALENCE_ERROR |
"valenceerror" |
public static final java.lang.String |
PROPERTY_KEY_WEDGED |
"wedged" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_EXCLUDED |
"excluded" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_EXCLUDED |
"searchExcluded" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_SEARCH_ALL |
"searchAll" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_DISCONNECTED |
"searchDisconnected" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_GENERIC |
"searchGeneric" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_LINKER |
"searchLinker" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_NESTED |
"searchNested" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_DETECT_CUMULATED_DOUBLE_BONDS |
"detectCumulatedDoubleBonds" |
public static final java.lang.String |
PROPERTY_KEY_DETECT_TRANS_DOUBLE_BONDS |
"detectTransDoubleBonds" |
public static final java.lang.String |
PROPERTY_KEY_DETECT_TRIPLE_BONDS |
"detectTripleBonds" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_VALID |
"VALID" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ACTIONSTRING_TOKEN |
"actionStringToken" |
public static final java.lang.String |
CUSTOM_NAME |
"customName" |
public static final java.lang.String |
DESCRIPTION |
"description" |
public static final java.lang.String |
EDITOR_CLASS_NAME |
"editorClassName" |
public static final java.lang.String |
FIX_MODE |
"fixMode" |
public static final java.lang.String |
FIXER_CLASS_NAME |
"fixerClassName" |
public static final java.lang.String |
HELP_TEXT |
"helpText" |
public static final java.lang.String |
ICON_PATH |
"iconPath" |
public static final java.lang.String |
LOCAL_MENU_NAME |
"localMenuName" |
public static final java.lang.String |
MORE_ERROR_MESSAGE |
"moreErrorMessage" |
public static final java.lang.String |
NAME |
"name" |
public static final java.lang.String |
NO_ERROR_MESSAGE |
"noErrorMessage" |
public static final java.lang.String |
ONE_ERROR_MESSAGE |
"oneErrorMessage" |
public static final java.lang.String |
SEVERITY |
"severity" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
CHECKERCONFIG_XML |
"checkerconfig.xml" |
public static final java.lang.String |
DEFAULT |
"default" |
public static final java.lang.String |
DEFAULT_CONFIGURATION_PATH |
"/chemaxon/checkers/resource/defaultcheckerconfig.xml" |
public static final java.lang.String |
DEFAULT_CONFIGURATION_SCHEMA |
"/chemaxon/checkers/resource/checkerconfig.xsd" |
public static final java.lang.String |
USER_DEFINED_CHECKERCONFIG_XML |
"userdefinedcheckers.xml" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final double |
MAXIMAL_DISTANCE_LIMIT |
1.8479999999999999 |
public static final double |
MINIMAL_ATOM_DISTANCE_LIMIT |
0.6160000000000001 |
public static final double |
MINIMAL_DISTANCE_LIMIT |
0.9239999999999999 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_TRADITIONAL_N_ALLOWED |
"allowTraditionalNitrogen" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_DEFAULT_VALENCE |
"defaultValence" |
public static final java.lang.String |
PROPERTY_KEY_NON_DEFAULT_VALENCE |
"nonDefaultValence" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_DEFAULT_VALENCE |
"searchDefaultValence" |
public static final java.lang.String |
PROPERTY_KEY_SEARCH_NON_DEFAULT_VALENCE |
"searchNonDefaultValence" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ATOM_ATOM_MAP |
"atomAtomMap" |
public static final java.lang.String |
BOND_BOND_MAP |
"bondBondMap" |
public static final java.lang.String |
SGROUP_SGROUP_MAP |
"sgroupSgroupMap" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_CHECKERS_CONFIG_PATH |
"/chemaxon/marvin/sketch/swing/modules/checker/resources/default.xml" |
public static final java.lang.String |
DEFAULT_USER_CHECKER_FILENAME |
"checkerconfig.xml" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_CONFIGURATION_SCHEMA |
"/chemaxon/checkers/runner/configuration/reader/resource/checkerconfiguration.xsd" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ATOM_COUNT_UPPER_BOUND |
50 |
public static final int |
DEFAULT_ALLOWED_LEVEL_COUNT |
10 |
public static final boolean |
DEFAULT_ATOM_TYPE_MATCH |
true |
public static final boolean |
DEFAULT_BOND_TYPE_MATCH |
true |
public static final boolean |
DEFAULT_CHARGE_MATCH |
true |
public static final boolean |
DEFAULT_ISOTOPE_MATCH |
true |
public static final boolean |
DEFAULT_KEEP_RINGS_MODE |
true |
public static final int |
DEFAULT_MIN_MCS_SIZE |
9 |
public static final boolean |
DEFAULT_RADICAL_MATCH |
true |
public static final int |
DEFAULT_REQUIRED_CLUSTER_COUNT |
1 |
public static final int |
MAX_LEVEL_COUNT |
100 |
public static final int |
TERMINATION_CANCEL |
5 |
public static final int |
TERMINATION_CLUSTER_COUNT |
3 |
public static final int |
TERMINATION_ERROR |
1 |
public static final int |
TERMINATION_LEVEL_COUNT |
2 |
public static final int |
TERMINATION_MCS_SIZE_LIMIT |
4 |
public static final int |
TERMINATION_SAME_PARAMETERS |
6 |
public static final int |
TERMINATION_STEP_NOT_ALLOWED |
7 |
public static final int |
TERMINATION_UNKNOWN |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ONLY_CLUSTERING |
2 |
public static final int |
ONLY_RNN |
1 |
public static final int |
RNN_AND_CLUSTERING |
0 |
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 |
ELEMENT_COUNT |
118 |
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 |
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 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_VALUE |
-1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
BINARY_DESCRIPTOR |
0 |
public static final int |
FLOAT_DESCRIPTOR |
2 |
public static final int |
INTEGER_DESCRIPTOR |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_BITS_SET |
2 |
public static final int |
DEFAULT_BOND_COUNT |
7 |
public static final int |
DEFAULT_LENGTH |
1024 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_DIAMETER |
4 |
public static final int |
DEFAULT_LENGTH |
1024 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
defaultTypeName |
"Minimum" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final float |
DEFAULT_ASYMMETRY_FACTOR |
0.0f |
public static final int |
DEFAULT_OUTPUT_PRECISION |
2 |
public static final float |
DEFAULT_SCALE_FACTOR |
1.0f |
public static final float |
DEFAULT_WEIGHT |
1.0f |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
SEPARATOR |
":" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final float |
DEFAULT_FUZZINESS_FACTOR |
1.0f |
public static final float |
DEFAULT_FUZZY_CUTOFF |
10.0f |
public static final int |
DEFAULT_FUZZY_LOWER_BOUND |
1 |
public static final int |
DEFAULT_RESOLUTION |
1 |
public static final java.lang.String |
DEFAULT_XML_CONFIG |
"<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n<!-- Pharmacophore configuration file -->\n<PharmacophoreFingerprintConfiguration Version =\"0.3\" schemaLocation=\"pharmacophores.xsd\">\n <PharmacophoreDefinition>\n <Search StereoCareChecking=\"false\"/>\n <Mols>\n <Mol ID=\"pos\" Structure=\"[*+]\"/>\n <Mol ID=\"nitro\" Structure=\"[O:2]~[N:1]=[O:3]\"/>\n <Mol ID=\"amine\" Structure=\"C[N:1]\"/>\n <Mol ID=\"tertamine\" Structure=\"C[N:1](C)C\"/>\n <Mol ID=\"aniline\" Structure=\"c[N:1]\"/>\n <Mol ID=\"amide\" Structure=\"[#7:1][C,P,S:2]=O\"/>\n <Mol ID=\"hydrazine\" Structure=\"NN\"/>\n <Mol ID=\"phenylhydrazine\" Structure=\"c[N:1][N:2]\"/>\n <Mol ID=\"hydrazide\" Structure=\"[#7:1]NC=O\"/>\n <Mol ID=\"amidine\" Structure=\"[#7:2][C,P,S:1]=[N:3]\"/>\n <Mol ID=\"neg\" Structure=\"[*-]\"/>\n <Mol ID=\"carbox\" Structure=\"[H][O:3][C:1]=[O:2]\"/>\n <Mol ID=\"carboxylate\" Structure=\"[O-3][C:1]=[O:2]\"/>\n <Mol ID=\"sulfonyl\" Structure=\"[H][O:3][S:1](=[O:2])=[O:4]\"/>\n <Mol ID=\"sulfonate\" Structure=\"[O-:3][S:1](=[O:4])=[O:2]\"/>\n <Mol ID=\"phosphonyl\" Structure=\"[H][O:4][P:1]([O:2])=[O:3]\"/>\n <Mol ID=\"phosphonate\" Structure=\"[O:4][P:1]([O-:2])=[O:3]\"/>\n <Mol ID=\"arom\" Structure=\"[*;a]\"/>\n <Mol ID=\"cx\" Structure=\"[C,F,Cl,Br,I,At]\"/>\n <Mol ID=\"nos\" Structure=\"[#7,#8,#16]\"/>\n <Mol ID=\"pyr\" Structure=\"[nX3]\"/>\n <Mol ID=\"qh\" Structure=\"[!#1!#6:1][H]\"/>\n </Mols>\n <Pharmacophores>\n <AtomSet ID=\"Aromatic\" Symbol=\"r\">arom</AtomSet>\n <AtomSet ID=\"Cationic\" Symbol=\"+\">\n <![CDATA[ !neg && ((pos && !nitro:1) || ((amine:1 || hydrazine || amidine:2,3) && !(tertamine:1 || amide:1 || nitro:1 || aniline:1 || phenylhydrazine:2))) ]]>\n </AtomSet>\n <AtomSet ID=\"Anionic\" Symbol=\"-\">\n <![CDATA[ !pos && ((neg && !nitro:2,3) || carbox:2,3 || carboxylate:2,3 || sulfonyl:2,3,4 || sulfonate || phosphonyl:2,3,4 || phosphonate) ]]>\n </AtomSet>\n <AtomSet ID=\"HydrogenBondDonor\" Symbol=\"d\">\n <![CDATA[ qh:1 || tertamine:1 && !{Anionic}]]>\n </AtomSet>\n <AtomSet ID=\"HydrogenBondAcceptor\" Symbol=\"a\">\n <![CDATA[ nos && !tertamine:1 && !pyr && !amide:1,2 && !aniline:1 && !sulfonyl:1 && !sulfonate:1 && !{Cationic} && !nitro:1 ]]>\n </AtomSet>\n <AtomSet ID=\"Hydrophobic\" Symbol=\"h\">\n <![CDATA[ cx && !{Aromatic} && !{Cationic} && !{Anionic} && !{HydrogenBondDonor} && !{HydrogenBondAcceptor} ]]>\n </AtomSet>\n </Pharmacophores>\n <PharmacophoreFingerprintParameters MinimalDistance=\"1\" MaximalDistance=\"10\" />\n </PharmacophoreDefinition>\n <StandardizerConfiguration Version =\"0.1\">\n <Actions> \n <Removal ID=\"keepOne\" Method=\"keepLargest\" Measure=\"molMass\"/>\n <Action ID=\"aromatize\" Act=\"aromatize\"/>\n </Actions>\n </StandardizerConfiguration>\n <ScreeningConfiguration>\n <PharmacophorePointColors>\n <Color Symbol=\"+\" Value=\"red\"/>\n <Color Symbol=\"-\" Value=\"blue\"/>\n <Color Symbol=\"r\" Value=\"green\"/>\n <Color Symbol=\"h\" Value=\"black\"/>\n <Color Symbol=\"d\" Value=\"navy\"/>\n <Color Symbol=\"a\" Value=\"maroon\"/>\n <Color Symbol=\"a/d\" Value=\"purple\"/>\n <Color Symbol=\"+/d\" Value=\"lime\"/>\n <Color Symbol=\"-/a\" Value=\"aqua\"/>\n <Color Symbol=\"empty\" Value=\"gray\"/>\n <Color Symbol=\"other\" Value=\"fuchsia\"/>\n </PharmacophorePointColors> \n <ParametrizedMetrics>\n <ParametrizedMetric Name=\"Tanimoto\" ActiveFamily=\"Generic\" \n Metric=\"Tanimoto\" Threshold=\"0.2\"/>\n <ParametrizedMetric Name=\"Euclidean\" ActiveFamily=\"Generic\" \n Metric=\"Euclidean\" Threshold=\"15\" />\n <ParametrizedMetric Name=\"Tversky\" ActiveFamily=\"Generic\"\n Metric=\"Tversky\" Threshold=\"0.5\" TverskyAlpha=\"1\" TverskyBeta=\"1\"/>\n <ParametrizedMetric Name=\"UnityTversky\" ActiveFamily=\"Generic\"\n Metric=\"Tversky\" Threshold=\"0.5\" TverskyAlpha=\"0.\" TverskyBeta=\"0.\"/>\n </ParametrizedMetrics>\n </ScreeningConfiguration>\n</PharmacophoreFingerprintConfiguration>\n" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_BITS_SET |
2 |
public static final int |
DEFAULT_BOND_COUNT |
6 |
public static final int |
DEFAULT_LENGTH |
2048 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_PH |
7 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_LOWER_BOUND |
0 |
public static final int |
DEFAULT_PH |
7 |
public static final int |
DEFAULT_STEP_SIZE |
1 |
public static final int |
DEFAULT_UPPER_BOUND |
14 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ACTIONSTRING_TOKEN |
"actionStringToken" |
public static final int |
DEFAULT_PRIORITY |
50 |
public static final java.lang.String |
DESCRIPTION |
"description" |
public static final int |
HIGH_PRIORITY |
75 |
public static final int |
HIGHEST_PRIORITY |
2147483647 |
public static final int |
LOW_PRIORITY |
25 |
public static final int |
LOWEST_PRIORITY |
-2147483647 |
public static final java.lang.String |
NAME |
"name" |
public static final java.lang.String |
PRIORITY |
"priority" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
FIXERFACTORYCONFIG_XML |
"fixerfactoryconfig.xml" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final long |
F_ARCHIVE |
128L |
public static final long |
F_BINARY |
8L |
public static final long |
F_COORDS |
1024L |
public static final long |
F_EXPORT |
1L |
public static final long |
F_GRAPHICS |
256L |
public static final long |
F_IMAGE |
512L |
public static final long |
F_IMPORT |
2L |
public static final long |
F_MIXED |
8192L |
public static final long |
F_MOLECULE |
32L |
public static final long |
F_MULTIPLE_RECORDS_LEGAL |
2048L |
public static final long |
F_MULTIPLE_RECORDS_POSSIBLE |
4096L |
public static final long |
F_OBJECT |
16L |
public static final long |
F_REACTION |
64L |
public static final long |
F_RECOGNIZER |
4L |
public static final long |
F_SINGLE_LINE |
65536L |
public static final long |
F_USER_DEFINED |
32768L |
public static final long |
F_XML |
16384L |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
MOLMOVIE |
2 |
public static final int |
MULTISET |
1 |
public static final int |
NOMOLMOVIE |
4 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
C_CLOSE_STREAM |
1 |
public static final int |
C_FLUSH_STREAM |
2 |
public static final int |
MULTIPLE |
2 |
public static final int |
TEXT |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
CAN_BE |
1 |
public static final int |
NO |
0 |
public static final int |
SURE |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
CAN_BE |
1 |
public static final int |
NO |
0 |
public static final int |
SURE |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
CACHE_REGISTRATION_SENSITIVITY_EXCEPTION |
"EXCEPTION" |
public static final java.lang.String |
CACHE_REGISTRATION_SENSITIVITY_LOG |
"LOG" |
public static final java.lang.String |
CACHE_REGISTRATION_SENSITIVITY_NONE |
"NONE" |
public static final java.lang.String |
PROP_CACHE_REGISTRATION_SENSITIVITY |
"cache.registration_sensitivity" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ACCESS |
4 |
public static final java.lang.String |
ACCESS_DRIVER |
"sun.jdbc.odbc.JdbcOdbcDriver" |
public static final java.lang.String |
ACCESS_TYPE_NAME |
"ACCESS" |
public static final java.lang.String |
ACCESS_URL_EXAMPLE |
"jdbc:odbc:mydatasource" |
public static final java.lang.String |
ACCESS_URL_TEMPLATE |
"jdbc:odbc[:odbc data source][;options]" |
public static final int |
COMPOSITE |
10 |
public static final java.lang.String |
COMPOSITE_DRIVER |
"cs.jdbc.driver.CompositeDriver" |
public static final java.lang.String |
COMPOSITE_TYPE_NAME |
"COMPOSITE" |
public static final java.lang.String |
COMPOSITE_URL_EXAMPLE |
"jdbc:compositesw:[email protected]:9401?domain=composite&dataSource=virtualdb" |
public static final java.lang.String |
COMPOSITE_URL_TEMPLATE |
"jdbc:compositesw:[email protected][host][:port]?domain=<domain name>&dataSource=<database>" |
public static final int |
DB2 |
6 |
public static final java.lang.String |
DB2_DRIVER |
"com.ibm.db2.jcc.DB2Driver" |
public static final java.lang.String |
DB2_TYPE_NAME |
"DB2" |
public static final java.lang.String |
DB2_URL_EXAMPLE |
"jdbc:db2://localhost:50000/mydb" |
public static final java.lang.String |
DB2_URL_TEMPLATE |
"jdbc:db2://[host][:port]/<database>" |
public static final int |
DEFAULT_BATCH_SIZE |
30 |
public static final int |
DEFAULT_COMMIT_INTERVAL |
50 |
public static final int |
DERBY |
9 |
public static final java.lang.String |
DERBY_DRIVER |
"org.apache.derby.jdbc.EmbeddedDriver" |
public static final java.lang.String |
DERBY_TYPE_NAME |
"APACHE DERBY" |
public static final java.lang.String |
DERBY_URL_EXAMPLE |
"jdbc:derby:/c:/databases/mydb;create=true" |
public static final java.lang.String |
DERBY_URL_TEMPLATE |
"jdbc:derby:[subprotocol]:<database with path>[;create=true][;options]" |
public static final int |
HSQLDB |
8 |
public static final java.lang.String |
HSQLDB_DRIVER |
"org.hsqldb.jdbcDriver" |
public static final java.lang.String |
HSQLDB_TYPE_NAME |
"HSQL" |
public static final java.lang.String |
HSQLDB_URL_EXAMPLE |
"jdbc:hsqldb:hsql://localhost/" |
public static final java.lang.String |
HSQLDB_URL_TEMPLATE |
"jdbc:hsqldb:hsql://[host][:port]/[database]" |
public static final int |
INTERBASE |
5 |
public static final java.lang.String |
INTERBASE_DRIVER |
"interbase.interclient.Driver" |
public static final java.lang.String |
INTERBASE_TYPE_NAME |
"INTERBASE" |
public static final java.lang.String |
INTERBASE_URL_EXAMPLE |
"jdbc:interbase://localhost/c:/interbase/interbasedb.gdb" |
public static final java.lang.String |
INTERBASE_URL_TEMPLATE |
"jdbc:interbase:<path to interbase data file (.gdb file)>" |
public static final int |
MSSQL |
2 |
public static final java.lang.String |
MSSQL_DRIVER |
"com.microsoft.jdbc.sqlserver.SQLServerDriver" |
public static final java.lang.String |
MSSQL_URL_EXAMPLE |
"jdbc:microsoft:sqlserver://localhost:1433;DatabaseName=mydb;selectMethod=cursor" |
public static final java.lang.String |
MSSQL_URL_TEMPLATE |
"jdbc:microsoft:sqlserver://[host][:port][;databaseName=database][;options]" |
public static final int |
MSSQL2005 |
2 |
public static final java.lang.String |
MSSQL2005_DRIVER |
"com.microsoft.sqlserver.jdbc.SQLServerDriver" |
public static final java.lang.String |
MSSQL2005_TYPE_NAME |
"MICROSOFT SQL SERVER" |
public static final java.lang.String |
MSSQL2005_URL_EXAMPLE |
"jdbc:sqlserver://localhost:1433;databaseName=mydb;selectMethod=cursor" |
public static final java.lang.String |
MSSQL2005_URL_TEMPLATE |
"jdbc:sqlserver://[host][:port][;databaseName=database][;options]" |
public static final int |
MYSQL |
3 |
public static final java.lang.String |
MYSQL_DRIVER |
"org.mariadb.jdbc.Driver" |
public static final java.lang.String |
MYSQL_TYPE_NAME |
"MYSQL" |
public static final java.lang.String |
MYSQL_URL_EXAMPLE |
"jdbc:mysql://localhost:3306/mydb?useCursorFetch=true&defaultFetchSize=1000" |
public static final java.lang.String |
MYSQL_URL_TEMPLATE |
"jdbc:mysql://[host][:port]/<database>[?options]" |
public static final int |
ORACLE |
1 |
public static final java.lang.String |
ORACLE_DRIVER |
"oracle.jdbc.OracleDriver" |
public static final java.lang.String |
ORACLE_TYPE_NAME |
"ORACLE" |
public static final java.lang.String |
ORACLE_URL_EXAMPLE |
"jdbc:oracle:thin:@localhost:1521:XE" |
public static final java.lang.String |
ORACLE_URL_TEMPLATE |
"jdbc:oracle:thin:@[host][:port]:<SID>" |
public static final java.lang.String |
POSGRESQL_DRIVER |
"org.postgresql.Driver" |
public static final java.lang.String |
POSGRESQL_URL_EXAMPLE |
"jdbc:postgresql://localhost:5432/mydb" |
public static final java.lang.String |
POSGRESQL_URL_TEMPLATE |
"jdbc:postgresql://[host][:port]/<database>" |
public static final int |
POSTGRESQL |
7 |
public static final java.lang.String |
POSTGRESQL_TYPE_NAME |
"POSTGRESQL" |
public static final int |
UNKNOWN |
0 |
public static final java.lang.String |
UNKNWON_TYPE_NAME |
"UNKNOWN" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_PROPERTY_TABLE |
"JChemProperties" |
public static final java.lang.String |
MD_PROPERTY_PREFIX |
"MD" |
public static final java.lang.String |
NAME_COLUMN |
"prop_name" |
public static final java.lang.String |
PROP_READONLY_DATABASE_NAME |
"database.isreadonly" |
public static final java.lang.String |
VALUE_COLUMN |
"prop_value" |
public static final java.lang.String |
VALUE_COLUMN_EXT |
"prop_value_ext" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
APPEND_TO_RESULT_TABLE |
2 |
public static final int |
CREATE_OR_REPLACE_RESULT_TABLE |
1 |
public static final int |
MAXIMAL_ACCEPTEDSEARCHTIME_MINUTES |
10 |
public static final int |
NO_ORDERING |
0 |
public static final int |
NO_RESULT_TABLE |
0 |
public static final int |
ORDERING_BY_FILTER_ID_LIST |
3 |
public static final int |
ORDERING_BY_ID |
1 |
public static final int |
ORDERING_BY_ID_OR_SIMILARITY |
2 |
public static final int |
RUN_MODE_ASYNCH_COMPLETE |
1 |
public static final int |
RUN_MODE_ASYNCH_PROGRESSIVE |
2 |
public static final int |
RUN_MODE_SYNCH_COMPLETE |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
MD_PROPERTY_COMMENT |
"Comment" |
public static final java.lang.String |
MD_PROPERTY_CONF_PREFIX |
"CONF" |
public static final java.lang.String |
MD_PROPERTY_SETTINGS |
"Settings" |
public static final java.lang.String |
MD_PROPERTY_TYPE |
"Type" |
public static final java.lang.String |
MD_PROPERTY_UPDATE |
"UpdateOnInsert" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ATTR_OPERATION |
"operation" |
public static final java.lang.String |
GET_TABLE_COLUMN_DATA_SQL |
"SELECT * FROM [TABLENAME] WHERE 1=2" |
public static final java.lang.String |
OPER_EQUALS |
"eq" |
public static final java.lang.String |
OPER_NOT_EQUALS |
"noteq" |
public static final java.lang.String |
TAG_CONDITION |
"condition" |
public static final java.lang.String |
TAG_CT |
"ct" |
public static final java.lang.String |
TAG_FULL |
"full" |
public static final java.lang.String |
TAG_MD |
"md" |
public static final java.lang.String |
TAG_NOCT |
"noct" |
public static final java.lang.String |
TAG_PROPERTY |
"property" |
public static final java.lang.String |
TAG_PROPERTY_NAME |
"name" |
public static final java.lang.String |
TAG_PROPERTY_VALUE |
"value" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
REGENERATION_MODE_NORMAL |
0 |
public static final int |
REGENERATION_MODE_NOT_PRECALCULATED |
2 |
public static final int |
REGENERATION_MODE_PRECALCULATION |
1 |
public static final int |
REGENERATION_TYPE_ANY |
4 |
public static final int |
REGENERATION_TYPE_CT |
1 |
public static final int |
REGENERATION_TYPE_FULL |
0 |
public static final int |
REGENERATION_TYPE_MD |
3 |
public static final int |
REGENERATION_TYPE_NONE |
-1 |
public static final int |
REGENERATION_TYPE_WITHOUT_CT |
2 |
public static final int |
TABLE_VERSION_NEWER |
2 |
public static final int |
TABLE_VERSION_OK |
0 |
public static final int |
TABLE_VERSION_OLDER |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
MYSQL_DEFAULT_TABLE_TYPE |
0 |
public static final int |
MYSQL_FORCE_INNO_DB |
1 |
public static final int |
MYSQL_FORCE_MYISAM |
2 |
public static final int |
TABLE_TYPE_ANY_STRUCTURES |
2 |
public static final int |
TABLE_TYPE_DEFAULT |
0 |
public static final java.lang.String |
TABLE_TYPE_IS_NOT_SUPPORTED |
"This table type is not allowed for MS Access" |
public static final int |
TABLE_TYPE_MARKUSH_LIBRARIES |
3 |
public static final int |
TABLE_TYPE_MOLECULES |
0 |
public static final int |
TABLE_TYPE_QUERY_STRUCTURES |
4 |
public static final int |
TABLE_TYPE_REACTIONS |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DUPLICATE_FILTERING_OFF |
2 |
public static final int |
DUPLICATE_FILTERING_ON |
1 |
public static final int |
DUPLICATE_FILTERING_TABLE_OPTION |
0 |
public static final int |
INSERT |
1 |
public static final int |
INSERT_WITH_ID |
2 |
public static final int |
QUERY_TABLE_ENUMERATION_LIMIT |
500 |
public static final int |
UPDATE |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ERROR |
0 |
public static final int |
INFO |
2 |
public static final int |
WARNING |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
FALSE |
0 |
public static final int |
TRUE |
1 |
public static final int |
UNDECIDED |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
CONFIG_DIR |
"config" |
public static final java.lang.String |
DEFAULT_TAG_NAME |
"CALC" |
public static final java.lang.String |
EVALUATOR_DEFAULTS_FILE |
"evaluator.xml" |
public static final java.lang.String |
EVALUATOR_NAMED_MOLS_FILE |
"mols.smarts" |
public static final java.lang.String |
EVALUATOR_SCRIPT_FILE |
"jep.script" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
AATOM |
"aatom" |
public static final java.lang.String |
AGENT |
"agent" |
public static final java.lang.String |
PATOM |
"patom" |
public static final java.lang.String |
PRODUCT |
"product" |
public static final java.lang.String |
RATOM |
"ratom" |
public static final java.lang.String |
REACTANT |
"reactant" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ALIGNMENT |
"3D Alignment" |
public static final java.lang.String |
CALCULATIONS_PACK |
"Calculations Pack" |
public static final java.lang.String |
CARTRIDGE |
"JChem Cartridge" |
public static final java.lang.String |
CHARGE_PLUGIN_GROUP |
"Charge Plugin Group" |
public static final java.lang.String |
CHEM_CURATOR_COMPOUND |
"ChemCurator Compound" |
public static final java.lang.String |
CHEM_CURATOR_FULL |
"ChemCurator Full" |
public static final java.lang.String |
CHEM_CURATOR_VIEWER |
"ChemCurator Viewer" |
public static final java.lang.String |
CHEMLOCATOR_PERSONAL |
"ChemLocator Personal" |
public static final java.lang.String |
CHEMLOCATOR_SERVER |
"ChemLocator Server" |
public static final java.lang.String |
CHINESE_NAME_TO_STRUCTURE |
"Chinese Name to Structure" |
public static final java.lang.String |
CONFORMATION_PLUGIN_GROUP |
"Conformation Plugin Group" |
public static final java.lang.String |
DOCUMENT_ANNOTATOR |
"Document Annotator" |
public static final java.lang.String |
DOCUMENT_TO_DATABASE |
"Document to Database" |
public static final java.lang.String |
DOCUMENT_TO_STRUCTURE |
"Document to Structure" |
public static final java.lang.String |
ECFP_FCFP |
"ECFP/FCFP" |
public static final java.lang.String |
FRAGMENTER |
"Fragmenter" |
public static final java.lang.String |
GEOMETRY_PLUGIN_GROUP |
"Geometry Plugin Group" |
public static final java.lang.String |
HBDA_PLUGIN |
"HBDA Plugin" |
public static final java.lang.String |
HUCKEL_ANALYSIS_PLUGIN |
"Huckel Analysis Plugin" |
public static final java.lang.String |
INSTANT_JCHEM |
"Instant JChem" |
public static final java.lang.String |
INSTANT_JCHEM_PIVOTING |
"Instant JChem Pivoting" |
public static final java.lang.String |
INSTANT_JCHEM_SERVER |
"Instant JChem Server" |
public static final java.lang.String |
INSTANT_JCHEM_VIZ |
"Instant JChem VIZ" |
public static final java.lang.String |
ISOMERS_PLUGIN_GROUP |
"Isomers Plugin Group" |
public static final java.lang.String |
JAPANESE_NAME_TO_STRUCTURE |
"Japanese Name to Structure" |
public static final java.lang.String |
JCHEM |
"JChem Base" |
public static final java.lang.String |
JCHEM_FOR_EXCEL |
"JChem for Excel" |
public static final java.lang.String |
JCHEM_FOR_OFFICE |
"JChem for Office" |
public static final java.lang.String |
JCHEM_FOR_SHAREPOINT |
"JChem for SharePoint" |
public static final java.lang.String |
JCHEM_FOR_SHAREPOINT_SEARCH |
"JChem for SharePoint Search" |
public static final java.lang.String |
JKLUSTOR |
"JKlustor" |
public static final java.lang.String |
MARKUSH_EDITOR |
"Markush Editor" |
public static final java.lang.String |
MARKUSH_ENUM_PLUGIN |
"Markush Enumeration Plugin" |
public static final java.lang.String |
MARKUSH_SEARCH |
"Markush Search" |
public static final java.lang.String |
MARVIN_APPLETS |
"Marvin Applets" |
public static final java.lang.String |
MARVIN_BEANS |
"Marvin Beans" |
public static final java.lang.String |
MCES |
"MCES" |
public static final java.lang.String |
METABOLIZER |
"Metabolizer" |
public static final java.lang.String |
MOLECULAR_DESCRIPTORS |
"Molecular Descriptors" |
public static final java.lang.String |
NAME_TO_STRUCTURE |
"Name to Structure" |
public static final java.lang.String |
NMR |
"NMR Predictor" |
public static final java.lang.String |
PARTITIONING_PLUGIN_GROUP |
"Partitioning Plugin Group" |
public static final java.lang.String |
PLEXUS |
"Plexus" |
public static final java.lang.String |
PLEXUS_CONNECT |
"Plexus Connect" |
public static final java.lang.String |
POSTGRES_CARTRIDGE |
"Postgres Cartridge" |
public static final java.lang.String |
PREDICTOR_PLUGIN |
"Predictor Plugin" |
public static final java.lang.String |
PROTONATION_PLUGIN_GROUP |
"Protonation Plugin Group" |
public static final java.lang.String |
REACTOR |
"Reactor" |
public static final java.lang.String |
REFRACTIVITY_PLUGIN |
"Refractivity Plugin" |
public static final java.lang.String |
REGISTRATION_SYSTEM |
"Registration System" |
public static final java.lang.String |
SCREEN |
"Screen" |
public static final java.lang.String |
SCREEN3D |
"3D Screen" |
public static final java.lang.String |
STANDARDIZER |
"Standardizer" |
public static final java.lang.String |
STRUCTURAL_FRAMEWORKS_PLUGIN |
"Structural Frameworks Plugin" |
public static final java.lang.String |
STRUCTURE_CHECKER |
"Structure Checker" |
public static final java.lang.String |
STRUCTURE_TO_NAME |
"Structure to Name" |
public static final java.lang.String |
WEB_SERVICES_SERVER |
"Web Services Server" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final double |
WEIGHT |
1.0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ACCP |
4 |
public static final int |
ALIPHATIC_RINGCENTER |
1024 |
public static final int |
ANCHOR |
2048 |
public static final int |
AROMATIC_ATOM |
8 |
public static final int |
AROMATIC_RINGCENTER |
512 |
public static final int |
DONR |
1 |
public static final int |
H |
256 |
public static final int |
HYDR |
16 |
public static final int |
LP |
128 |
public static final int |
NEG |
64 |
public static final int |
POS |
32 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
SM_ATOM |
2 |
public static final int |
SM_BOND |
3 |
public static final int |
SM_DELETE |
1 |
public static final int |
SM_FLAGS_OFF |
8 |
public static final int |
SM_MASK |
255 |
public static final int |
SM_SELECT |
0 |
public static final int |
SM_SELECT_LASSO |
4 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
EDITABLE |
1 |
public static final int |
SKETCHABLE |
2 |
public static final int |
VIEW_ONLY |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
STEP_DEFAULT |
2000 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
OPTIMIZATION_NORMAL |
1 |
public static final int |
OPTIMIZATION_STRICT |
2 |
public static final int |
OPTIMIZATION_VERY_LOOSE |
0 |
public static final int |
OPTIMIZATION_VERY_STRICT |
3 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ACCEPTOR_SIGN |
"A" |
public static final java.lang.String |
DONOR_SIGN |
"D" |
public static final double |
EPSILON |
0.1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
TYPE_DISTR |
"chargedistr" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
METHOD_KLOP |
2 |
public static final int |
METHOD_PHYS |
3 |
public static final int |
METHOD_USER_DEFINED |
4 |
public static final int |
METHOD_VG |
1 |
public static final int |
METHOD_WEIGHTED |
5 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
METHOD_KLOP |
2 |
public static final int |
METHOD_PHYS |
3 |
public static final int |
METHOD_USER_DEFINED |
4 |
public static final int |
METHOD_VG |
1 |
public static final int |
METHOD_WEIGHTED |
5 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
COLORING_ALL |
3 |
public static final int |
COLORING_NONE |
0 |
public static final int |
COLORING_RGROUPS |
2 |
public static final int |
COLORING_SCAFFOLD |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
SOLVENT |
1 |
public static final int |
VAN_DER_WAALS |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ACIDIC |
-1 |
public static final int |
BASIC |
1 |
public static final int |
DEF_MAXIONS |
8 |
public static final double |
DEF_TEMPERATURE |
298.0 |
public static final int |
DYNAMICpKaPREFIX |
2 |
public static final int |
MODEL_LARGE |
1 |
public static final int |
MODEL_SMALL |
0 |
public static final int |
STATICpKaPREFIX |
1 |
public static final java.lang.String |
TYPE_DISTR |
"msdistr" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
BOTH |
3 |
public static final int |
DOUBLE_BOND |
2 |
public static final int |
TETRAHEDRAL |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ADD_REMOVE_H_ATOMS_ENABLED |
"addRemoveHatomsEnabled" |
public static final java.lang.String |
AMINOACID_BOND_COLORING_ENABLED |
"aminoAcidBondColoringEnabled" |
public static final java.lang.String |
ANY_BOND |
"anybond" |
public static final java.lang.String |
ATOM_FONT |
"atomFont" |
public static final java.lang.String |
ATOM_FONT_SIZE |
"atomFontSize" |
public static final java.lang.String |
ATOM_MAPPING_VISIBLE |
"atomMappingVisible" |
public static final java.lang.String |
ATOM_NUMBERING_TYPE |
"atomNumberingType" |
public static final java.lang.String |
ATOM_NUMBERS_VISIBLE |
"atomNumbersVisible" |
public static final java.lang.String |
ATOM_PROPERTIES_VISIBLE |
"atomPropertiesVisible" |
public static final java.lang.String |
ATOM_SET_COLOR |
"atomSetColor" |
public static final java.lang.String |
ATOM_SIZE |
"atomsize" |
public static final java.lang.String |
ATOM_SYMBOL_VISIBLE_3D |
"atomSymbolVisible3D" |
public static final java.lang.String |
ATOM_SYMBOLS_VISIBLE |
"atomSymbolsVisible" |
public static final java.lang.String |
AUTOMATIC_FOG_ENABLED |
"automaticFogEnabled" |
public static final java.lang.String |
AUTOMATIC_REACTION_ENABLED |
"automaticReactionEnabled" |
public static final java.lang.String |
BALL_RADIUS |
"ballRadius" |
public static final java.lang.String |
BOLD_BOND_WIDTH |
"boldBondWidth" |
public static final java.lang.String |
BOND_HASH_SPACING |
"bondHashSpacing" |
public static final java.lang.String |
BOND_LENGTH |
"bondLength" |
public static final java.lang.String |
BOND_LENGTH_VISIBLE |
"bondLengthVisible" |
public static final java.lang.String |
BOND_SET_COLOR |
"bondSetColor" |
public static final java.lang.String |
BOND_SPACING |
"bondSpacing" |
public static final java.lang.String |
CACHE_MOLECULES |
"cacheMols" |
public static final java.lang.String |
CHARGE_WITH_CIRCLE |
"chargeWithCircle" |
public static final java.lang.String |
CHIRALITY_SUPPORT |
"chiralitySupport" |
public static final java.lang.String |
CLEANING_2D_OPTIONS |
"clean2dOpts" |
public static final java.lang.String |
CLEANING_3D_OPTIONS |
"clean3dOpts" |
public static final java.lang.String |
CLEANING_DIMENSION |
"cleanDim" |
public static final java.lang.String |
CLEANING_OPTIONS |
"cleanOpts" |
public static final java.lang.String |
COLOR_SCHEME |
"colorScheme" |
public static final java.lang.String |
COORDINATE_BOND_STYLE |
"coordinateBondStyle" |
public static final java.lang.String |
COORDINATE_BOND_STYLE_AT_MULTICENTER |
"coordinateBondStyleAtMulticenter" |
public static final java.lang.String |
COPY_AS_FORMAT |
"copyAsFormat" |
public static final java.lang.String |
COPY_OPTIONS |
"copyOpts" |
public static final java.lang.String |
DEBUG |
"debug" |
public static final java.lang.String |
DEFAULT_SAVE_FORMAT |
"defaultSaveFormat" |
public static final java.lang.String |
DISPLAY_QUALITY |
"dispQuality" |
public static final java.lang.String |
DOWN_WEDGE |
"downWedge" |
public static final java.lang.String |
ESCAPE_CHAR |
"escapeChar" |
public static final java.lang.String |
EXPLICIT_H |
"explicitH" |
public static final java.lang.String |
EZ_VISIBLE |
"EZVisible" |
public static final java.lang.String |
FOG_FACTOR |
"fogFactor" |
public static final java.lang.String |
IMAGE_IMPORT_SERVICE_URL |
"imageImportServiceURL" |
public static final java.lang.String |
IMPLICIT_H |
"implicitH" |
public static final java.lang.String |
IMPORT_CONVERSION |
"importConv" |
public static final java.lang.String |
INVISIBLE_SETS |
"invisibleSets" |
public static final java.lang.String |
LICENSE |
"license" |
public static final java.lang.String |
LICENSE_FILE |
"licenseFile" |
public static final java.lang.String |
LIGAND_ERROR_VISIBLE |
"ligandErrorVisible" |
public static final java.lang.String |
LISTEN_PROPERTY_CHANGE |
"listenpropertychange" |
public static final java.lang.String |
LOAD_MOLECULES |
"loadMols" |
public static final java.lang.String |
LONE_PAIRS_AS_LINE |
"lonePairsAsLine" |
public static final java.lang.String |
LONE_PAIRS_VISIBLE |
"lonePairsVisible" |
public static final java.lang.String |
MARGIN_SIZE |
"marginSize" |
public static final java.lang.String |
MOLECULE |
"mol" |
public static final java.lang.String |
MOLECULE_BACKGROUND |
"molbg" |
public static final java.lang.String |
MOLECULE_FORMAT |
"molFormat" |
public static final java.lang.String |
MP_VISIBLE |
"mpVisible" |
public static final java.lang.String |
NAME_IO_WEB_SERVICE |
"namingWebServiceURL" |
public static final java.lang.String |
PEPTIDE_DISPLAY_TYPE |
"peptideDisplayType" |
public static final java.lang.String |
R_GROUPS_VISIBLE |
"rgroupsVisible" |
public static final java.lang.String |
RENDERING |
"rendering" |
public static final java.lang.String |
SAVE_PROPERTIES |
"saveproperties" |
public static final java.lang.String |
SET_COLORING_ENABLED |
"setColoringEnabled" |
public static final java.lang.String |
SHOW_SETS |
"showSets" |
public static final java.lang.String |
SKETCH_ANY_BOND |
"sketchAnyBond" |
public static final java.lang.String |
SKETCH_HELP |
"sketchHelp" |
public static final java.lang.String |
SKIN |
"skin" |
public static final java.lang.String |
SPLASH_SCREEN_IMAGE |
"splashScreenImage" |
public static final java.lang.String |
STICK_THICKNESS |
"stickThickness" |
public static final java.lang.String |
TRANSFER_BUTTON_ICON |
"transferButtonIcon" |
public static final java.lang.String |
TRANSFER_BUTTON_TEXT |
"transferButtonText" |
public static final java.lang.String |
TRANSFER_BUTTON_VISIBLE |
"transferButtonVisible" |
public static final java.lang.String |
USE_WARNINGS |
"useWarnings" |
public static final java.lang.String |
VALENCE_PROPERTY_VISIBLE |
"valencePropertyVisible" |
public static final java.lang.String |
VIEW_ANY_BOND |
"viewAnyBond" |
public static final java.lang.String |
VIEW_EXPLICIT_H |
"viewExplicitH" |
public static final java.lang.String |
VIEW_HELP |
"viewHelp" |
public static final java.lang.String |
VIEW_NAVIGATION_MODE_2D |
"viewNavMode2d" |
public static final java.lang.String |
VIEW_NAVIGATION_MODE_3D |
"viewNavMode3d" |
public static final java.lang.String |
WIRE_THICKNESS |
"wireThickness" |
public static final java.lang.String |
ZERO_BASED_ATOM_INDEXING |
"zeroBasedAtomIndexing" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
MARVIN_CONFIG_DEFAULT_PATH |
"marvin.properties" |
public static final int |
MAX_RECENT_FILE_LIST_SIZE |
50 |
public static final int |
MIN_RECENT_FILE_LIST_SIZE |
1 |
public static final java.lang.String |
PROPERTY_TYPE_ALL |
"all" |
public static final java.lang.String |
PROPERTY_TYPE_DEFAULT |
"default" |
public static final java.lang.String |
PROPERTY_TYPE_PERSISTENT |
"persistent" |
public static final java.lang.String |
PROPERTY_TYPE_TRANSIENT |
"transient" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
F_MOL_MISSING |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ABSOLUTE_LABEL_VISIBLE |
"absLabelVisible" |
public static final java.lang.String |
ATOM_FONT |
"atomFont" |
public static final java.lang.String |
ATOM_MAPPING_VISIBLE |
"amap" |
public static final java.lang.String |
ATOM_NUMBERING_TYPE |
"atomNumberingType" |
public static final java.lang.String |
ATOM_NUMBERS_VISIBLE |
"anum" |
public static final java.lang.String |
ATOM_PROPERTIES_VISIBLE |
"aprop" |
public static final java.lang.String |
ATOMSIZE |
"atsiz" |
public static final java.lang.String |
BALLRADIUS |
"ballRadius" |
public static final java.lang.String |
BOLD_BOND_WIDTH |
"boldbondw" |
public static final java.lang.String |
BOND_HASH_SPACING |
"bondHashSpacing" |
public static final java.lang.String |
BOND_LENGTH |
"bondl" |
public static final java.lang.String |
BOND_LENGTH_VISIBLE |
"bondLengthVisible" |
public static final java.lang.String |
BONDWIDTH |
"bondw" |
public static final java.lang.String |
CHARGE_FONT |
"chargeFont" |
public static final java.lang.String |
CHARGE_FONT_SIZE |
"chargeFontSize" |
public static final java.lang.String |
CHARGE_WITH_CIRCLE |
"chargeWithCircle" |
public static final java.lang.String |
DISABLE_AMINOACID_BOND_COLORING |
"disableAminoAcidBondColoring" |
public static final java.lang.String |
EZ_LABEL_VISIBLE |
"ez" |
public static final java.lang.String |
FOG_FACTOR |
"fogFactor" |
public static final java.lang.String |
GRAPH_INVARIANTS_VISIBLE |
"grinvVisible" |
public static final java.lang.String |
HEIGHT |
"h" |
public static final java.lang.String |
HIDE_ATOM_SYMBOL_IN_3D |
"noatsym" |
public static final java.lang.String |
INVISIBLE_R_GROUPS |
"noRGroups" |
public static final java.lang.String |
INVISIBLE_R_LOGIC |
"noRLogic" |
public static final java.lang.String |
LIGAND_ERROR_VISIBLE |
"liganderr" |
public static final java.lang.String |
LONE_PAIRS_AS_LINE |
"lonePairsAsLine" |
public static final java.lang.String |
LONE_PAIRS_VISIBLE |
"lp" |
public static final java.lang.String |
MARGINSIZE |
"marginSize" |
public static final java.lang.String |
MAXSCALE |
"maxscale" |
public static final java.lang.String |
MP_LABEL_VISIBLE |
"mp" |
public static final java.lang.String |
NOANTIALIAS |
"noantialias" |
public static final java.lang.String |
ONE_LETTER_PEPTIDE_DISPLAY |
"oneLetterPeptideDisplay" |
public static final java.lang.String |
SCALE |
"scale" |
public static final java.lang.String |
SETCOLORS |
"setcolors" |
public static final java.lang.String |
SHOW_EXPLICIT_LONE_PAIRS |
"lpexpl" |
public static final java.lang.String |
STICKTHICKNESS |
"stickThickness" |
public static final java.lang.String |
TRANSPARENT_BACKGROUND |
"transbg" |
public static final java.lang.String |
VALANCE_ERROR_VISIBLE |
"valenceErrorVisible" |
public static final java.lang.String |
VALENCE_PROPERTY_VISIBLE |
"valprop" |
public static final java.lang.String |
WIDTH |
"w" |
public static final java.lang.String |
WIRETHICKNESS |
"wireThickness" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
CLIPBOARD_OPERATION_GET |
2 |
public static final int |
CLIPBOARD_OPERATION_PUT |
1 |
public static final int |
CLIPBOARD_OPERATION_UNDEFINED |
0 |
public static final java.lang.String |
CLIPBOARD_ORIGIN_IS_FILE |
"ClipboardOriginIsFile" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ABS_FLAG |
33554432 |
public static final int |
APPLY_DEPTH_CUE |
32 |
public static final int |
ATMAP_FLAG |
4096 |
public static final int |
ATNUM_FLAG |
2048 |
public static final int |
ATPROP_FLAG |
8 |
public static final int |
ATSYM_FLAG |
1024 |
public static final int |
AUTOMATIC_FOG |
32 |
public static final int |
BONDLEN_FLAG |
8192 |
public static final int |
CARBON_VIS_INCHAIN |
268435456 |
public static final java.lang.String |
CARBON_VIS_INCHAIN_S |
"inChain" |
public static final int |
CARBON_VIS_MASK |
805306368 |
public static final int |
CARBON_VIS_OFF |
0 |
public static final java.lang.String |
CARBON_VIS_OFF_S |
"off" |
public static final int |
CARBON_VIS_OFFSET |
28 |
public static final int |
CARBON_VIS_ON |
536870912 |
public static final java.lang.String |
CARBON_VIS_ON_S |
"on" |
public static final int |
CHARGE_WITH_CIRCLE_FLAG |
4096 |
public static final int |
CHARGE_WITH_CIRCLE_OFFSET |
12 |
public static final int |
COLORS_MASK |
192 |
public static final int |
COLORS_OFFSET |
6 |
public static final java.lang.String |
COORDINATE_BOND_ARROW_S |
"arrow" |
public static final int |
COORDINATE_BOND_AT_MULTICENTER_FLAG |
256 |
public static final int |
COORDINATE_BOND_AT_MULTICENTER_OFFSET |
8 |
public static final java.lang.String |
COORDINATE_BOND_HASHED_S |
"hashed" |
public static final java.lang.String |
COORDINATE_BOND_SOLID_S |
"solid" |
public static final int |
COORDINATE_BOND_STYLE_FLAG |
512 |
public static final int |
COORDINATE_BOND_STYLE_OFFSET |
9 |
public static final int |
CPK_SCHEME |
64 |
public static final java.lang.String |
CPK_SCHEME_S |
"cpk" |
public static final int |
DAYLIGHT_DOWNWEDGE_FLAG |
1048576 |
public static final java.lang.String |
DAYLIGHT_DOWNWEDGE_S |
"daylight" |
public static final int |
DIM_FLAG |
1073741824 |
public static final int |
DOWNWEDGE_OFFSET |
20 |
public static final int |
EZ_FLAG |
65536 |
public static final int |
GRINV_FLAG |
512 |
public static final int |
GROUP_SCHEME |
192 |
public static final java.lang.String |
GROUP_SCHEME_S |
"group" |
public static final int |
IMPLICITH_ALL |
3 |
public static final java.lang.String |
IMPLICITH_ALL_S |
"all" |
public static final int |
IMPLICITH_HETERO |
1 |
public static final java.lang.String |
IMPLICITH_HETERO_S |
"hetero" |
public static final int |
IMPLICITH_HETEROTERM |
2 |
public static final java.lang.String |
IMPLICITH_HETEROTERM_S |
"heteroterm" |
public static final int |
IMPLICITH_MASK |
3 |
public static final int |
IMPLICITH_OFF |
0 |
public static final java.lang.String |
IMPLICITH_OFF_S |
"off" |
public static final int |
LIGAND_ERROR_VISIBILITY_FLAG |
128 |
public static final int |
LIGAND_ORDER_MASK |
3 |
public static final int |
LIGAND_ORDER_OFF |
1 |
public static final java.lang.String |
LIGAND_ORDER_OFF_S |
"off" |
public static final int |
LIGAND_ORDER_ON |
0 |
public static final java.lang.String |
LIGAND_ORDER_ON_S |
"on" |
public static final int |
LIGAND_ORDER_ONLY_WITH_DEFINITION |
2 |
public static final java.lang.String |
LIGAND_ORDER_ONLY_WITH_DEFINITION_S |
"showOnlyWithDefinition" |
public static final int |
LONE_PAIRS_AS_LINE_FLAG |
2048 |
public static final int |
LONE_PAIRS_AS_LINE_OFFSET |
11 |
public static final int |
LP_AUTO_FLAG |
134217728 |
public static final int |
LP_FLAG |
16777216 |
public static final java.lang.String |
MDL_DOWNWEDGE_S |
"mdl" |
public static final int |
MM_MASK |
56 |
public static final int |
MM_OFFSET |
3 |
public static final int |
MM_ROT3D |
24 |
public static final int |
MM_ROTZ |
16 |
public static final int |
MM_ZOOM |
8 |
public static final int |
MM_ZOOMROT |
32 |
public static final int |
MONO_SCHEME |
0 |
public static final java.lang.String |
MONO_SCHEME_S |
"mono" |
public static final java.lang.String |
ONE_LETTER_PEPTIDE_DISPLAY_S |
"1-letter" |
public static final int |
PEPTIDE_DISPLAY_SETTINGS_FLAG |
1024 |
public static final int |
PEPTIDE_DISPLAY_SETTINGS_OFFSET |
10 |
public static final int |
QUALITY_MASK |
8388608 |
public static final int |
QUALITY_OFFSET |
23 |
public static final int |
RGROUPS_FLAG |
67108864 |
public static final int |
RLOGIC_FLAG |
16 |
public static final int |
RS_ALL |
32768 |
public static final int |
RS_ALL_POSSIBLE |
49152 |
public static final java.lang.String |
RS_ALL_POSSIBLE_S |
"allPossible" |
public static final java.lang.String |
RS_ALL_S |
"all" |
public static final int |
RS_MASK |
49152 |
public static final int |
RS_OFF |
0 |
public static final java.lang.String |
RS_OFF_S |
"off" |
public static final int |
RS_OFFSET |
14 |
public static final int |
RS_SELECTED |
16384 |
public static final java.lang.String |
RS_SELECTED_S |
"selected" |
public static final int |
SET_SCHEME_FLAG |
256 |
public static final int |
SHAPELY_SCHEME |
128 |
public static final java.lang.String |
SHAPELY_SCHEME_S |
"shapely" |
public static final java.lang.String |
THREE_LETTER_PEPTIDE_DISPLAY_S |
"3-letter" |
public static final int |
VALENCE_PROP_VISIBILITY_FLAG |
64 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ATOM |
1 |
public static final int |
BLUE |
255 |
protected static final int |
CALCRGB_OFF |
32 |
protected static final java.lang.String |
COVALENT_HYDRATION_ERROR_REMARK |
"Covalent hydration occurred." |
protected static final java.lang.String |
CRITICAL_ERROR_MSG |
"Inconsistent molecular structure." |
public static final double |
EPSILON |
0.1 |
protected static final java.lang.String |
INCORRECT_AROMATIC_NITROGEN_REMARK |
"Aromatic nitrogen is not specified correctly." |
protected static final java.lang.String |
INSTABLE_TAUTOMERIC_FORM_REMARK |
"Instable tautomeric form." |
protected static final java.lang.String |
KEEP_HYDROGENS |
"keephydrogens" |
public static final int |
MOLECULE |
2 |
public static final int |
MOLECULES |
4 |
public static final java.lang.String |
PLUGIN_CLASS_KEY |
"Plugin-Class" |
public static final java.lang.String |
PLUGIN_DIR |
"/xjars" |
public static final int |
RED |
16711680 |
protected static final java.lang.String |
TRUE |
"true" |
Modifier and Type | Constant Field | Value |
---|---|---|
protected static final int |
CELLSIZE |
380 |
protected static final int |
HTML |
3 |
protected static final int |
LABEL |
1 |
protected static final int |
MAX_LINE_LENGTH |
50 |
protected static final int |
NONE |
0 |
protected static final int |
TEXT |
2 |
protected static final java.lang.String |
WORD_SEPARATORS |
"- " |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_CONFIG_FILE |
"plugins.properties" |
public static final java.lang.String |
NOPARAMS |
"NOPARAMS" |
public static final java.lang.String |
PRELOAD |
"PRELOAD" |
public static final java.lang.String |
SEPARATOR |
"SEPARATOR" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_PREFERRED_DESCRIPTION |
"PreferredDescription" |
public static final java.lang.String |
PROPERTY_KEY_PREFERRED_NAME |
"PreferredName" |
public static final java.lang.String |
PROPERTY_KEY_USERSETTINGS |
"UserSettings" |
public static final java.lang.String |
PROPERTY_KEY_VALID |
"EditorValid" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_SERVICE_CONFIGURATION_PATH |
"/chemaxon/marvin/services/config/resources/default.xml" |
public static final java.lang.String |
DEFAULT_SERVICE_DESCRIPTOR_EDITOR_PROVIDER_CLASSNAME |
"chemaxon.marvin.services.ui.XMLBasedServiceDescriptorEditorProvider" |
public static final java.lang.String |
DEFAULT_SERVICE_DESCRIPTOR_READER_CLASSNAME |
"chemaxon.marvin.services.config.XMLBasedServiceDescriptorReader" |
public static final java.lang.String |
DEFAULT_SERVICE_DESCRIPTOR_WRITER_CLASSNAME |
"chemaxon.marvin.services.config.XMLBasedServiceDescriptorWriter" |
public static final java.lang.String |
DEFAULT_SERVICE_DIALOG_PROVIDER_CLASSNAME |
"chemaxon.marvin.sketch.swing.modules.services.SketchBasedServiceDialogProvider" |
public static final java.lang.String |
DEFAULT_USER_SERVICE_CONFIGURATION_FILENAME |
"servicesconfig.xml" |
public static final java.lang.String |
SERVICE_CONFIGURATION_PATH_PROPERTY_KEY |
"chemaxon.marvin.services.ServiceConfigurationPath" |
public static final java.lang.String |
SERVICE_DIALOG_PROVIDER_CLASS_NAME_PROPERTY_KEY |
"chemaxon.marvin.services.ServiceDialogProvider" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DESCRIPTOR_URI |
"descriptorUri" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
CLASS |
"class" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
NAMESPACE |
"namespace" |
public static final java.lang.String |
PORT |
"port" |
public static final java.lang.String |
SERVICE |
"webservice" |
public static final java.lang.String |
WSDL |
"wsdl" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ABBREVIATED_GROUPS |
"abbrevgroups" |
public static final java.lang.String |
ABBREVIATED_GROUPS_ALLOWED |
"abbrevgroupsAllowed" |
public static final java.lang.String |
ABSOLUTE_LABEL_VISIBLE |
"absLabelVisible" |
public static final java.lang.String |
ATOM_STRINGS |
"atomStrings" |
public static final java.lang.String |
AUTO_CHECK_STRUCTURE |
"autoCheckStructure" |
public static final java.lang.String |
AUTO_SCALE |
"autoscale" |
public static final java.lang.String |
BACKGROUNDLOAD_ENABLED |
"bgloadEnabled" |
public static final java.lang.String |
BACKGROUNDLOAD_PRIORITY |
"bgloadPriority" |
public static final java.lang.String |
BOND_DRAGGED_ALONG |
"bondDraggedAlong" |
public static final java.lang.String |
BUTTON_MENUBAR |
"buttonmenubar" |
public static final java.lang.String |
CUSTOMIZATION_ENABLED |
"customizationEnabled" |
public static final java.lang.String |
DEFAULT_TOOL |
"defaultTool" |
public static final java.lang.String |
DETACH |
"detach" |
public static final java.lang.String |
DISABLE_SPECIAL_NODES |
"disableSpecialNodes" |
public static final java.lang.String |
ELEMENTS |
"elements" |
public static final java.lang.String |
ENABLED_2D_VIEWER |
"2dviewerEnabled" |
public static final java.lang.String |
ENABLED_3D_VIEWER |
"3dviewerEnabled" |
public static final java.lang.String |
EXTRA_BONDS |
"extraBonds" |
public static final java.lang.String |
EXTRA_TEMPLATES |
"xtmpls" |
public static final java.lang.String |
GRAPH_INVARIANTS_VISIBLE |
"grinvVisible" |
public static final java.lang.String |
GRID_VISIBLE |
"sketchGridVisible" |
public static final java.lang.String |
GROUPTYPE_ALTERNATING_COPOLYMER_GROUP |
"alternatingCopolymerGroup" |
public static final java.lang.String |
GROUPTYPE_ANYPOLYMER_GROUP |
"anypolymerGroup" |
public static final java.lang.String |
GROUPTYPE_BLOCK_COPOLYMER_GROUP |
"blockCopolymerGroup" |
public static final java.lang.String |
GROUPTYPE_COMPONENT_GROUP |
"componentGroup" |
public static final java.lang.String |
GROUPTYPE_COPOLYMER_GROUP |
"copolymerGroup" |
public static final java.lang.String |
GROUPTYPE_CROSSLINK_GROUP |
"crosslinkGroup" |
public static final java.lang.String |
GROUPTYPE_GENERIC_GROUP |
"genericGroup" |
public static final java.lang.String |
GROUPTYPE_GRAFT_GROUP |
"graftGroup" |
public static final java.lang.String |
GROUPTYPE_MER_GROUP |
"merGroup" |
public static final java.lang.String |
GROUPTYPE_MODIFICATION_GROUP |
"modificationGroup" |
public static final java.lang.String |
GROUPTYPE_MONOMER_GROUP |
"monomerGroup" |
public static final java.lang.String |
GROUPTYPE_MULTIPLE_GROUP |
"multipleGroup" |
public static final java.lang.String |
GROUPTYPE_ORDERED_MIXTURE_GROUP |
"orderedMixtureGroup" |
public static final java.lang.String |
GROUPTYPE_RANDOM_COPOLYMER_GROUP |
"randomCopolymerGroup" |
public static final java.lang.String |
GROUPTYPE_RANGE_GROUP |
"rangeGroup" |
public static final java.lang.String |
GROUPTYPE_SRU_GROUP |
"sruGroup" |
public static final java.lang.String |
GROUPTYPE_SUPERATOM_GROUP |
"superatomGroup" |
public static final java.lang.String |
GROUPTYPE_UNORDERED_MIXTURE_GROUP |
"unorderedMixtureGroup" |
public static final java.lang.String |
IMAGE_SAVE_FORMAT |
"imageSaveFormat" |
public static final java.lang.String |
IMAGE_SAVE_URL |
"imageSaveURL" |
public static final java.lang.String |
IMAGE_SHOW_URL |
"imageShowURL" |
public static final java.lang.String |
LONE_PAIRS_AUTO_CALCULATION |
"lonePairsAutoCalc" |
public static final java.lang.String |
MAX_SCALE |
"maxscale" |
public static final java.lang.String |
MENU_CUSTOMIZATION_FILE |
"menuconfig" |
public static final java.lang.String |
MENUBAR |
"menubar" |
public static final java.lang.String |
MERGE_DISTANCE |
"mergedst" |
public static final java.lang.String |
MOL_LOADER_FINISHED_EVENT |
"molLoaderFinishedEvent" |
public static final java.lang.String |
MORE_ENABLED |
"moreEnabled" |
public static final java.lang.String |
MP_VISIBLE |
"mpVisible" |
public static final java.lang.String |
PRELOAD |
"preload" |
public static final java.lang.String |
QUERY_ATOMS |
"queryAtoms" |
public static final java.lang.String |
REACTION_ERROR_VISIBLE |
"reactionErrorVisible" |
public static final java.lang.String |
REACTION_SUPPORT |
"reactionSupport" |
public static final java.lang.String |
RLOGIC_VISIBLE |
"rLogicVisible" |
public static final java.lang.String |
SCALE |
"scale" |
public static final java.lang.String |
SHORTCUTS |
"shortcuts" |
public static final java.lang.String |
SIMPLE_VIEW |
"simpView" |
public static final java.lang.String |
SKETCH_ARROW_HEAD_LENGTH |
"sketchArrowHeadLength" |
public static final java.lang.String |
SKETCH_ARROW_HEAD_WIDTH |
"sketchArrowHeadWidth" |
public static final java.lang.String |
SKETCH_ARROW_TAIL_LENGTH |
"sketchArrowTailLength" |
public static final java.lang.String |
SKETCH_ARROW_TAIL_WIDTH |
"sketchArrowTailWidth" |
public static final java.lang.String |
SKETCH_CARBON_VISIBILITY |
"sketchCarbonVisibility" |
public static final java.lang.String |
SKETCH_LIGAND_ORDER_VISIBILITY |
"sketchLigandOrderVisibility" |
public static final java.lang.String |
SKETCH_STARTUP_SHOWN |
"sketchStartupShown" |
public static final java.lang.String |
SKETCHPANEL_LAST_HEIGHT |
"sketchLastHeight" |
public static final java.lang.String |
SKETCHPANEL_LAST_WIDTH |
"sketchLastWidth" |
public static final java.lang.String |
STATUS_BAR |
"statusBar" |
public static final java.lang.String |
STICK_DISTANCE |
"stickdst" |
public static final java.lang.String |
TEMPLATE_TOOLBAR_CUSTOMIZABLE |
"templateToolbarCustomizable" |
public static final java.lang.String |
TEMPLATES |
"tmpls" |
public static final java.lang.String |
TOOLBAR_FLOATABLE |
"toolbarFloatable" |
public static final java.lang.String |
TOOLBAR_TEMPLATES |
"ttmpls" |
public static final java.lang.String |
TRANSFORMATION_ENABLED |
"transformationEnabled" |
public static final java.lang.String |
UI_DISABLED_GROUP_TYPES |
"disabledGroupTypesOnUI" |
public static final java.lang.String |
UNDETACH_BY_X |
"undetachByX" |
public static final java.lang.String |
UNDO |
"undo" |
public static final java.lang.String |
USED_JARS |
"usedJars" |
public static final java.lang.String |
VALENCE_CHECK_ENABLED |
"valenceCheckEnabled" |
public static final java.lang.String |
VALENCE_ERROR_VISIBLE |
"valenceErrorVisible" |
public static final java.lang.String |
VIEW_ONLY |
"viewonly" |
public static final java.lang.String |
ZOOM_TO_SCAFFOLD_ON_LOAD |
"zoomToScaffoldOnLoad" |
Modifier and Type | Constant Field | Value |
---|---|---|
protected static final int |
DEFAULT_NEAR_EDGE |
30 |
protected static final int |
MAX_NUMBER_OF_COMPONENTS_PER_CELL |
256 |
protected static final int |
MODE_NORMAL |
1 |
protected static final int |
MODE_PICK |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
protected static final int |
COMPONENT_TYPE_ENTIRE |
1 |
public static final int |
RENDERING_QUALITY_HIGH |
3 |
public static final int |
RENDERING_QUALITY_LOW |
1 |
public static final int |
RENDERING_QUALITY_MEDIUM |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
CELL_RANGE |
2 |
public static final int |
COMPONENT_RANGE |
3 |
public static final int |
MODE_MOVING |
2 |
public static final int |
MODE_STANDING |
1 |
public static final java.lang.String |
MSPACE_CONFIG_DEFAULT_PATH |
"mspace.properties" |
public static final int |
SCENE_RANGE |
1 |
public static final int |
VERBOSE_LEVEL_BASIC |
1 |
public static final int |
VERBOSE_LEVEL_DEVEL |
2 |
public static final int |
VERBOSE_LEVEL_NONE |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
B_FACTOR_MODE |
12 |
protected static final int |
COMPONENT_TYPE_ATOM |
2 |
protected static final int |
COMPONENT_TYPE_BOND |
3 |
protected static final int |
COMPONENT_TYPE_MOLECULE |
4 |
protected static final int |
COMPONENT_TYPE_RESIDUE |
5 |
public static final int |
RAINBOW_MODE |
11 |
Modifier and Type | Constant Field | Value |
---|---|---|
protected static final boolean |
AUTO_RESOLUTION_ENABLED |
true |
public static final float |
DEFAULT_ISOVALUE |
0.017999999225139618f |
public static final float |
DEFAULT_PROBE_RADIUS |
1.399999976158142f |
public static final float |
DEFAULT_RESOLUTION |
0.550000011920929f |
public static final int |
SURFACE_COLOR_GRID_MAPPING |
7 |
public static final int |
SURFACE_COLOR_PROPERTY_MAPPING |
8 |
public static final int |
SURFACE_COLOR_TYPE_ATOMTYPE |
2 |
public static final int |
SURFACE_COLOR_TYPE_B_FACTOR |
9 |
public static final int |
SURFACE_COLOR_TYPE_CHAIN |
4 |
public static final int |
SURFACE_COLOR_TYPE_CONSTANT |
1 |
public static final int |
SURFACE_COLOR_TYPE_EP |
5 |
public static final int |
SURFACE_COLOR_TYPE_RAINBOW |
10 |
public static final int |
SURFACE_COLOR_TYPE_RESIDUE |
3 |
public static final int |
SURFACE_COLOR_TYPE_SS |
6 |
protected static final boolean |
SURFACE_SIMPLIFICATION_ENABLED |
false |
protected static final int |
SURFACE_SMOOTHNESS |
2 |
public static final int |
SURFACE_TYPE_BLOBBY |
4 |
public static final int |
SURFACE_TYPE_CONNOLLY |
2 |
public static final int |
SURFACE_TYPE_GAUSSIAN |
5 |
public static final int |
SURFACE_TYPE_SAS |
3 |
public static final int |
SURFACE_TYPE_VDW |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
protected static final int |
BOND_DRAW_TYPE_BOND |
1 |
protected static final int |
BOND_DRAW_TYPE_STICK |
2 |
protected static final int |
BOND_DRAW_TYPE_WIRE |
3 |
protected static final boolean |
BOND_FACING |
true |
protected static final int |
COMPONENT_TYPE_ATOM |
2 |
protected static final int |
COMPONENT_TYPE_BOND |
3 |
protected static final int |
COMPONENT_TYPE_MOLECULE |
4 |
protected static final double |
DEFAULT_BALL_RADIUS |
0.4 |
protected static final int |
DEFAULT_BOND_DISTANCE |
100 |
protected static final double |
DEFAULT_BOND_RADIUS |
0.1 |
protected static final int |
DEFAULT_BOND_WIDTH |
50 |
protected static final int |
DEFAULT_H_BALL_PRECISION |
4 |
protected static final int |
DEFAULT_H_BOND_SLICE_PRECISION |
10 |
protected static final int |
DEFAULT_H_JOINT_PRECISION |
4 |
protected static final int |
DEFAULT_H_SPACEFILL_PRECISION |
5 |
protected static final int |
DEFAULT_H_STICK_SLICE_PRECISION |
22 |
protected static final int |
DEFAULT_L_BALL_PRECISION |
2 |
protected static final int |
DEFAULT_L_BOND_SLICE_PRECISION |
6 |
protected static final int |
DEFAULT_L_JOINT_PRECISION |
2 |
protected static final int |
DEFAULT_L_SPACEFILL_PRECISION |
3 |
protected static final int |
DEFAULT_L_STICK_SLICE_PRECISION |
14 |
protected static final double |
DEFAULT_LINE_WIDTH |
2.0 |
protected static final int |
DEFAULT_M_BALL_PRECISION |
3 |
protected static final int |
DEFAULT_M_BOND_SLICE_PRECISION |
8 |
protected static final int |
DEFAULT_M_JOINT_PRECISION |
3 |
protected static final int |
DEFAULT_M_SPACEFILL_PRECISION |
4 |
protected static final int |
DEFAULT_M_STICK_SLICE_PRECISION |
18 |
protected static final double |
DEFAULT_STICK_RADIUS |
0.3 |
protected static final boolean |
DISPLAY_BOND_ORDER |
true |
protected static final int |
DRAW_TYPE_BALL |
3 |
protected static final int |
DRAW_TYPE_BALL_AND_STICK |
6 |
protected static final int |
DRAW_TYPE_BALL_AND_WIRE |
5 |
protected static final int |
DRAW_TYPE_SPACEFILL |
7 |
protected static final int |
DRAW_TYPE_STICK |
4 |
protected static final int |
DRAW_TYPE_WIRE |
2 |
public static final int |
LONE_PAIR_TYPE |
130 |
protected static final boolean |
SCALED_BALLS |
false |
protected static final boolean |
SMOOTH_STICKS |
false |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ACCEPTOR_TYPE |
1 |
public static final int |
ANIONIC_TYPE |
4 |
public static final int |
AROMATIC_TYPE |
32 |
public static final int |
CATIONIC_TYPE |
8 |
public static final float |
DEFAULT_RADIUS |
1.0f |
public static final int |
DONOR_TYPE |
2 |
public static final int |
EXCLUDED_TYPE |
4096 |
public static final int |
HYDROPHOBIC_TYPE |
16 |
public static final int |
UNKONWN_TYPE |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ATOM_PROPERTY_MAPPING |
1 |
public static final int |
BUILT_IN_CHAIN_MAPPING |
4 |
public static final int |
BUILT_IN_CPK_MAPPING |
2 |
public static final int |
BUILT_IN_RAINBOW_MAPPING |
6 |
public static final int |
BUILT_IN_RESIDUE_MAPPING |
3 |
public static final int |
BUILT_IN_SECONDARY_STRUCTURE_MAPPING |
5 |
public static final int |
COLOR_MAPPER_BLUE_TO_GREEN |
4 |
public static final int |
COLOR_MAPPER_BLUE_TO_RED |
1 |
public static final int |
COLOR_MAPPER_FIRE |
6 |
public static final int |
COLOR_MAPPER_GREEN_TO_BLUE |
5 |
public static final int |
COLOR_MAPPER_RAINBOW |
2 |
public static final int |
COLOR_MAPPER_RED_TO_BLUE |
0 |
public static final int |
COLOR_MAPPER_REVERSE_RAINBOW |
3 |
public static final int |
DECREASE_LINEAR |
2 |
public static final int |
DECREASE_RECIPROCAL_SQUARE |
8 |
public static final int |
DECREASE_SQUARE |
4 |
public static final int |
DISTANCE_CONSTANT |
3 |
public static final int |
DISTANCE_FROM_VDW |
1 |
public static final int |
DISTANCE_FROM_VDW_EXTENDED |
2 |
public static final int |
DISTANCE_WEIGHTED |
3 |
public static final int |
GRID_MAPPING |
0 |
public static final int |
MEAN_VALUE |
2 |
public static final int |
NEAREST_VALUE |
0 |
public static final int |
NO_DECREASE |
1 |
public static final int |
RADIUS_CONSTANT |
3 |
public static final int |
RADIUS_VDW |
1 |
public static final int |
RADIUS_VDW_EXTENDED |
2 |
public static final int |
SUM_OF_VALUES |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DOTTED_TYPE |
1 |
public static final int |
FILLED_TYPE |
3 |
public static final int |
MESH_TYPE |
2 |
public static final int |
TRANSPARENT_TYPE |
4 |
Modifier and Type | Constant Field | Value |
---|---|---|
protected static final int |
DEFAULT_SIZE |
15 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
BACKGROUND_MODE_NONE |
0 |
public static final int |
BACKGROUND_MODE_OWN_COLOR |
1 |
public static final int |
BORDER_MODE_BRIGHTER_FOREGROUND |
3 |
public static final int |
BORDER_MODE_FOREGROUND_COLOR |
2 |
public static final int |
BORDER_MODE_NONE |
0 |
public static final int |
BORDER_MODE_OWN_COLOR |
1 |
protected static final int |
ITEM_COUNT |
1 |
public static final int |
LARGE_FONT_SIZE |
8 |
public static final int |
MEDIUM_FONT_SIZE |
7 |
public static final int |
SMALL_FONT_SIZE |
6 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
COPY_AS_IMAGE_BITMAP |
"bitmap" |
public static final java.lang.String |
COPY_AS_IMAGE_EMF |
"emf" |
public static final java.lang.String |
COPY_AS_OLE |
"ole" |
public static final java.lang.String |
COPY_AS_TEXT |
"text" |
public static final java.lang.String |
FMT_EMF |
"emf" |
public static final java.lang.String |
FMT_IMAGE |
"image" |
public static final java.lang.String |
FMT_MOL |
"mol" |
public static final java.lang.String |
FMT_MRV |
"mrv" |
public static final java.lang.String |
FMT_OLE |
"ole" |
public static final java.lang.String |
FMT_PLAINTEXT |
"PlainText" |
public static final java.lang.String |
FMT_RXN |
"rxn" |
public static final java.lang.String |
FMT_SMILES |
"smiles" |
public static final java.lang.String |
FMT_STRING |
"String" |
public static final java.lang.String |
FMT_STRUCTURE |
"structure" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
BOOL |
0 |
public static final int |
NONNEGATIVE_REAL |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_FACTORY_INSTANCE |
"AlchemistCodeAssistFactory_Instance" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ANIMATE |
"animate" |
public static final java.lang.String |
ANIMATION_DELAY |
"animDelay" |
public static final java.lang.String |
ANIMATION_FPS |
"animFPS" |
public static final java.lang.String |
ANIMATION_SYNCHRONIZATION |
"animSync" |
public static final java.lang.String |
ATOM_SET |
"atomSet" |
public static final java.lang.String |
AUTO_TAB_SCALE |
"autoTabScale" |
public static final java.lang.String |
BACKGROUND |
"background" |
public static final java.lang.String |
BOND_SET |
"bondSet" |
public static final java.lang.String |
BORDER |
"border" |
public static final java.lang.String |
CELL |
"cell" |
public static final java.lang.String |
COLS |
"cols" |
public static final java.lang.String |
CONFIRM_TRANSFER |
"confirmTransfer" |
public static final java.lang.String |
DETACHABLE |
"detachable" |
public static final java.lang.String |
DRAGGABLE |
"draggable" |
public static final java.lang.String |
EDITABLE |
"editable" |
public static final java.lang.String |
GRAPH_INVARIANTS |
"grinv" |
public static final java.lang.String |
IMPORT_ENABLED |
"importEnabled" |
public static final java.lang.String |
LAYOUT |
"layout" |
public static final java.lang.String |
LAYOUT_HEADER |
"layoutH" |
public static final java.lang.String |
LISTEN_MOUSE_EVENT |
"listenmouseevent" |
public static final java.lang.String |
MOLECULE_CHANGED |
"molChanged" |
public static final java.lang.String |
NAVIGATION_MODE |
"navmode" |
public static final java.lang.String |
PARAMETERS |
"param" |
public static final java.lang.String |
PARAMETERS_HEADER |
"paramH" |
public static final java.lang.String |
ROWS |
"rows" |
public static final java.lang.String |
SCRIPT |
"script" |
public static final java.lang.String |
SELECTABLE |
"selectable" |
public static final java.lang.String |
SELECTED_INDEX |
"selectedIndex" |
public static final java.lang.String |
SELECTION |
"selection" |
public static final java.lang.String |
SPIN |
"spin" |
public static final java.lang.String |
TAB_SCALE |
"tabScale" |
public static final java.lang.String |
VALENCE_ERROR_VISIBLE_IN_VIEW |
"valenceErrorVisibleInView" |
public static final java.lang.String |
VIEW_CARBON_VISIBILITY |
"viewCarbonVisibility" |
public static final java.lang.String |
VIEW_LIGAND_ORDER_VISIBILITY |
"viewLigandOrderVisibility" |
public static final java.lang.String |
VIEW_PANEL_LAST_HEIGHT |
"viewLastHeight" |
public static final java.lang.String |
VIEW_PANEL_LAST_WIDTH |
"viewLastWidth" |
public static final java.lang.String |
VISIBLE_COLS |
"visibleCols" |
public static final java.lang.String |
VISIBLE_ROWS |
"visibleRows" |
public static final java.lang.String |
WINDOW_SCALE |
"winScale" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
MMF_FIELD |
1 |
public static final int |
MMF_NOT_FIELD |
2 |
public static final int |
MMF_UNSET |
0 |
public static final int |
VH_AUTO |
0 |
public static final int |
VH_GRIDBAG |
1 |
public static final int |
VH_SPREADSHEET |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
propertyPage |
"page" |
public static final java.lang.String |
propertySourceDocument |
"document" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
BYTE |
"byte" |
public static final java.lang.String |
CHARACTER |
"character" |
public static final java.lang.String |
CONFIDENCE |
"confidence" |
public static final java.lang.String |
CONTEXT |
"context" |
public static final java.lang.String |
CONTEXT_INDEX |
"context index" |
public static final java.lang.String |
DOC_AUTHOR |
"author" |
public static final java.lang.String |
DOC_CREATION_DATE |
"creation date" |
public static final java.lang.String |
DOC_LAST_AUTHOR |
"last author" |
public static final java.lang.String |
DOC_PATENT_ASSIGNEES |
"assignees" |
public static final java.lang.String |
DOC_PATENT_ID |
"patent ID" |
public static final java.lang.String |
DOC_PATENT_INVENTORS |
"inventors" |
public static final java.lang.String |
DOC_PATENT_IPC |
"IPC" |
public static final java.lang.String |
DOC_PATENT_IPCR |
"IPCR" |
public static final java.lang.String |
DOC_TITLE |
"title" |
public static final java.lang.String |
DOCUMENT |
"document" |
public static final java.lang.String |
DOCUMENT_METADATA |
"Metadata for the containing document" |
public static final java.lang.String |
END_CHARACTER |
"end" |
public static final java.lang.String |
IDENTIFIER |
"identifier" |
public static final java.lang.String |
PAGE |
"page" |
public static final java.lang.String |
SECTION |
"section" |
public static final java.lang.String |
SOURCE_TEXT |
"text" |
public static final java.lang.String |
TYPE |
"type" |
public static final java.lang.String |
TYPE_CAS |
"CAS#" |
public static final java.lang.String |
TYPE_CDX |
"cdx" |
public static final java.lang.String |
TYPE_COMMON |
"common" |
public static final java.lang.String |
TYPE_EC |
"EC" |
public static final java.lang.String |
TYPE_GENERIC |
"generic" |
public static final java.lang.String |
TYPE_INCHI |
"InChI" |
public static final java.lang.String |
TYPE_ION |
"ion" |
public static final java.lang.String |
TYPE_MRV |
"mrv" |
public static final java.lang.String |
TYPE_OSR |
"OSR" |
public static final java.lang.String |
TYPE_PEPTIDE |
"peptide" |
public static final java.lang.String |
TYPE_SMILES |
"smiles" |
public static final java.lang.String |
TYPE_SYMYX |
"symyx" |
public static final java.lang.String |
TYPE_SYSTEMATIC |
"systematic" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
MOL_UID_PROPERTY |
"UID" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_TAG_NAME |
"PMAP" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
MODE_COMBINATORIAL |
1 |
public static final int |
MODE_SEQUENTIAL |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final double |
DEF_TOLERANCE |
1.0E-4 |
public static final int |
FUSED_REACTION_OUTPUT |
4 |
public static final int |
IGNORE_REACTIVITY |
1 |
public static final int |
IGNORE_SELECTIVITY |
2 |
public static final int |
IGNORE_TOLERANCE |
4 |
public static final int |
MAPPING_STYLE_CHANGING |
1 |
public static final int |
MAPPING_STYLE_COMPLETE |
2 |
public static final int |
MAPPING_STYLE_MATCHING |
3 |
public static final int |
MAPPING_STYLE_NONE |
0 |
public static final java.lang.String |
MINOR_PRODUCT_TAG |
"CXN_REACTOR_MINOR_PRODUCT" |
public static final int |
NO_DUPLICATE_FILTERING |
0 |
public static final int |
ORDER_INSENSITIVE_DUPLICATE_FILTERING |
2 |
public static final int |
ORDER_SENSITIVE_DUPLICATE_FILTERING |
1 |
public static final int |
PRODUCT_OUTPUT |
0 |
public static final int |
REACTION_OUTPUT |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ABS_STEREO_ALWAYS_ON |
2 |
public static final int |
ABS_STEREO_CHIRAL_FLAG |
1 |
public static final int |
ABS_STEREO_TABLE_OPTION |
0 |
public static final int |
ATTACHED_DATA_MATCH_EXACT |
2 |
public static final int |
ATTACHED_DATA_MATCH_GENERAL |
1 |
public static final int |
ATTACHED_DATA_MATCH_IGNORE |
0 |
public static final int |
ATTACHMENT_ATOM |
4 |
public static final int |
ATTACHMENT_LABEL |
3 |
public static final int |
ATTACHMENT_MAP |
2 |
public static final int |
ATTACHMENT_NONE |
0 |
public static final int |
ATTACHMENT_POINT |
1 |
public static final int |
ATTACHMENT_RLABEL |
5 |
public static final int |
CHARGE_MATCHING_DEFAULT |
0 |
public static final int |
CHARGE_MATCHING_EXACT |
1 |
public static final int |
CHARGE_MATCHING_IGNORE |
2 |
public static final float |
DEFAULT_DISSIMILARITY_THRESHOLD |
0.30000001192092896f |
public static final int |
DEFAULT_SEARCHTYPE |
2 |
public static final java.lang.String |
DISSIMILARITY_PROPERTY_NAME |
"dissimilarity" |
public static final int |
DUPLICATE |
5 |
public static final int |
FULL |
4 |
public static final int |
FULL_FRAGMENT |
7 |
public static final int |
HCOUNT_MATCHING_AUTO |
0 |
public static final int |
HCOUNT_MATCHING_EQUAL |
1 |
public static final int |
HCOUNT_MATCHING_GREATER_OR_EQUAL |
2 |
public static final int |
HIT_EXCLUDEDQ |
-2147483641 |
public static final int |
HIT_LP |
-2147483644 |
public static final int |
HIT_MULTICENTER |
-2147483646 |
public static final int |
HIT_NON_R |
-2147483642 |
public static final int |
HIT_ORDERING_NONE |
0 |
public static final int |
HIT_ORDERING_UNDEF_R_MATCHING_GROUP_FIRST |
1 |
public static final int |
HIT_R |
-2147483647 |
public static final int |
HIT_R_EMPTY_MATCH |
-2147483643 |
public static final int |
HIT_UNMAPABLE |
-2147483645 |
public static final int |
IMPLICIT_H_MATCHING_DEFAULT |
0 |
public static final int |
IMPLICIT_H_MATCHING_DISABLED |
2 |
public static final int |
IMPLICIT_H_MATCHING_ENABLED |
1 |
public static final int |
IMPLICIT_H_MATCHING_IGNORE |
3 |
public static final int |
ISOTOPE_MATCHING_DEFAULT |
0 |
public static final int |
ISOTOPE_MATCHING_EXACT |
1 |
public static final int |
ISOTOPE_MATCHING_IGNORE |
2 |
public static final int |
MARKUSH_HIT_INNER |
1 |
public static final int |
MARKUSH_HIT_ORIGINAL |
0 |
public static final int |
MATCH_COUNT_BETWEEN |
0 |
public static final int |
MATCH_COUNT_RELATION |
1 |
public static final int |
NO_ABAS |
1 |
public static final int |
NO_SCREEN |
0 |
public static final int |
POSITION_ON_0TH_HEAVY_ATOM |
-2147483648 |
public static final int |
RADICAL_MATCHING_DEFAULT |
0 |
public static final int |
RADICAL_MATCHING_EXACT |
1 |
public static final int |
RADICAL_MATCHING_IGNORE |
2 |
public static final int |
SIMILARITY |
3 |
public static final int |
STEREO_DIASTEREOMER |
3 |
public static final int |
STEREO_ENANTIOMER |
4 |
public static final int |
STEREO_EXACT |
2 |
public static final int |
STEREO_IGNORE |
1 |
public static final int |
STEREO_MODEL_COMPREHENSIVE |
1 |
public static final int |
STEREO_MODEL_DEFAULT |
3 |
public static final int |
STEREO_MODEL_GLOBAL |
2 |
public static final int |
STEREO_MODEL_LOCAL |
0 |
public static final int |
STEREO_SPECIFIC |
0 |
public static final int |
SUBSTRUCTURE |
2 |
public static final int |
SUPERSTRUCTURE |
6 |
public static final int |
TAUTOMER_SEARCH_DEFAULT |
2 |
public static final int |
TAUTOMER_SEARCH_OFF |
0 |
public static final int |
TAUTOMER_SEARCH_ON |
1 |
public static final int |
TAUTOMER_SEARCH_ON_IGNORE_TAUTOMERSTEREO |
3 |
public static final int |
UNDEF_R_MATCHING_ALL |
0 |
public static final int |
UNDEF_R_MATCHING_GROUP |
2 |
public static final int |
UNDEF_R_MATCHING_GROUP_H |
3 |
public static final int |
UNDEF_R_MATCHING_GROUP_H_EMPTY |
4 |
public static final int |
UNDEF_R_MATCHING_UNDEF_R |
1 |
public static final int |
VAGUE_BOND_DEFAULT |
5 |
public static final int |
VAGUE_BOND_LEVEL_HALF |
5 |
public static final int |
VAGUE_BOND_LEVEL1 |
1 |
public static final int |
VAGUE_BOND_LEVEL2 |
2 |
public static final int |
VAGUE_BOND_LEVEL3 |
3 |
public static final int |
VAGUE_BOND_LEVEL4 |
4 |
public static final int |
VAGUE_BOND_OFF |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
EXACT |
1 |
public static final int |
EXACT_SUBFORMULA |
2 |
public static final int |
NONE |
0 |
public static final int |
SUBFORMULA |
3 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_RECURSION_LEVEL |
4 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ATOMLIST |
1 |
public static final int |
BONDLIST |
2 |
public static final int |
LINKNODE |
3 |
public static final int |
MULTIBOND |
4 |
public static final int |
REPUNIT |
5 |
public static final int |
RGROUP |
6 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
NO_UNDEF_RGROUP |
"The query should contain at least one undefined R-atom." |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
MAYBE_USEFUL |
1 |
public static final int |
NOT_USEFUL |
2 |
public static final int |
USEFUL |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
COL_MOLECULE |
1 |
public static final int |
COL_SCAFFOLD |
2 |
public static final int |
HEADER_MAP |
2 |
public static final int |
HEADER_NONE |
0 |
public static final int |
HEADER_RGROUP |
1 |
public static final java.lang.String |
SEPARATOR |
";" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_TIMEOUT_LIMIT |
120000 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
OPTION_NAME_STRING |
"markushAromHandling" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
OPTION_NAME_STRING |
"targetHomologyMatchingMode" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
CONFIG_PATH_KEY |
"configPath" |
public static final java.lang.String |
FORMAT_KEY |
"format" |
public static final java.lang.String |
ID_KEY |
"id" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
FINAL_CLEAN_ID |
"FINAL_CLEAN" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ACTIONSTRING_TOKEN |
"actionStringToken" |
public static final java.lang.String |
DESCRIPTION |
"description" |
public static final java.lang.String |
EDITOR_CLASS_NAME |
"editorClassName" |
public static final java.lang.String |
HELP_TEXT |
"helpText" |
public static final java.lang.String |
ICON_PATH |
"iconPath" |
public static final java.lang.String |
ID |
"id" |
public static final java.lang.String |
NAME |
"name" |
public static final java.lang.String |
TAGS |
"tags" |
public static final java.lang.String |
XML_TOKEN |
"xmlToken" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT |
"default" |
public static final java.lang.String |
DEFAULT_CONFIGURATION_PATH |
"/chemaxon/standardizer/resource/defaultstandardizerconfig.xml" |
public static final java.lang.String |
DEFAULT_CONFIGURATION_SCHEMA |
"/chemaxon/standardizer/resource/availableStandardizerConfiguration.xsd" |
public static final java.lang.String |
PRE_CONFIGURED_TRANSFORMATIONS |
"/chemaxon/standardizer/resource/preconfiguredtransformations.xml" |
public static final java.lang.String |
STANDARDIZERCONFIG_XML |
"standardizerconfig.xml" |
public static final java.lang.String |
USER_DEFINED_STANDARDIZERCONFIG_XML |
"userdefinedstandardizers.xml" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
NO_LICENSE_REQUIRED |
"no license" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ACT_KEY |
"act" |
public static final java.lang.String |
TYPE_KEY |
"type" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ABBREV_GROUPS_KEY |
"Groups" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
TYPE_KEY |
"type" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_CHIRALITY |
"Chirality" |
public static final java.lang.String |
PROPERTY_KEY_DOUBLE_BOND |
"DoubleBond" |
public static final java.lang.String |
PROPERTY_KEY_SINGLE_UP_OR_DOWN_BOND |
"SingleUpOrDownBond" |
public static final java.lang.String |
TYPE_KEY |
"type" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
TYPE_KEY |
"type" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_ABSOLUTE |
"absolute" |
public static final java.lang.String |
PROPERTY_KEY_ABSSTEREO |
"absstereo" |
public static final java.lang.String |
PROPERTY_KEY_STEREO_GROUP |
"defaultnonabsstereogroup" |
public static final java.lang.String |
PROPERTY_KEY_TYPE |
"type" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
STOICHIOMETRY_KEY |
"data" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
KEEP_MAPPING |
"KeepMapping" |
public static final java.lang.String |
MAPPING_STYLE |
"MappingStyle" |
public static final java.lang.String |
MARK_BONDS |
"MarkBonds" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
KEEP_MAPPING |
"KeepMapping" |
public static final java.lang.String |
MAPPING_STYLE |
"MappingStyle" |
public static final java.lang.String |
MARK_BONDS |
"MarkBonds" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_BRIDGEHEAD |
"Bridgehead" |
public static final java.lang.String |
PROPERTY_KEY_CHARGED |
"Charged" |
public static final java.lang.String |
PROPERTY_KEY_H_CONNECTED |
"Hconnected" |
public static final java.lang.String |
PROPERTY_KEY_ISOTOPIC |
"Isotopic" |
public static final java.lang.String |
PROPERTY_KEY_LONELY |
"Lonely" |
public static final java.lang.String |
PROPERTY_KEY_MAPPED |
"Mapped" |
public static final java.lang.String |
PROPERTY_KEY_METAL_CONNECTED |
"Metalconnected" |
public static final java.lang.String |
PROPERTY_KEY_POLYMER_END_GROUP |
"Polymerendgroup" |
public static final java.lang.String |
PROPERTY_KEY_RADICAL |
"Radical" |
public static final java.lang.String |
PROPERTY_KEY_SGROUP |
"Sgroup" |
public static final java.lang.String |
PROPERTY_KEY_SGROUP_END |
"Sgroupend" |
public static final java.lang.String |
PROPERTY_KEY_VALENCE_ERROR |
"Valenceerror" |
public static final java.lang.String |
PROPERTY_KEY_WEDGED |
"Wedged" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
MEASUREMENT_KEY |
"measure" |
public static final java.lang.String |
METHOD_KEY |
"method" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROPERTY_KEY_ALLOW_VALENCE_ERROR |
"allowvalenceerror" |
public static final java.lang.String |
PROPERTY_KEY_QUERY_ATOM |
"queryatom" |
public static final java.lang.String |
PROPERTY_KEY_REPLACE_ATOM |
"replaceatom" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
TYPE_KEY |
"type" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PARTIAL_CLEAN_KEY |
"partialcleanneeded" |
public static final java.lang.String |
TEMPLATE_FILE_KEY |
"templatefile" |
public static final java.lang.String |
TEMPLATES_KEY |
"templates" |
public static final java.lang.String |
TYPE_KEY |
"type" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
GROUP_LIST_KEY |
"grouplist" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_SOLVENT_DICTIONARY_PATH |
"/chemaxon/standardizer/resource/solvent_dictionary.sdf" |
public static final java.lang.String |
SOLVENT_ID_PROPERTY |
"ID" |
public static final java.lang.String |
SOLVENT_LIST_KEY |
"solventlist" |
public static final java.lang.String |
USE_DEFAULT_SOLVENTS_KEY |
"usedefaultsolvents" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_SALT_DICTIONARY_PATH |
"/chemaxon/standardizer/resource/salt_dictionary.sdf" |
public static final java.lang.String |
DONT_REMOVE_LAST_COMPONENT_KEY |
"dontremovelastcomponent" |
public static final java.lang.String |
SALT_ID_PROPERTY |
"ID" |
public static final java.lang.String |
SALT_LIST_KEY |
"saltlist" |
public static final java.lang.String |
USE_DEFAULT_SALTS_KEY |
"usedefaultsalts" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
EXACT_KEY |
"exact" |
public static final java.lang.String |
SEARCH_OPTIONS_KEY |
"searchoptions" |
public static final java.lang.String |
STRUCTURE_KEY |
"structure" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
ENTRY_SEPARATOR |
"\\.\\." |
public static final java.lang.String |
GROUP_END_TOKEN |
"}" |
public static final java.lang.String |
GROUP_SEPARATOR |
"," |
public static final java.lang.String |
GROUP_START_TOKEN |
"{" |
public static final java.lang.String |
KEY_VALUE_SEPARATOR |
"=" |
public static final java.lang.String |
PARAM_SEPARATOR |
":" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_STANDARDIZERS_CONFIG_PATH |
"/chemaxon/standardizer/resource/default.xml" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
HS_S |
1 |
public static final int |
HS_SP |
2 |
public static final int |
HS_SP2 |
3 |
public static final int |
HS_SP3 |
4 |
public static final int |
HS_UNKNOWN |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
SETCOLOR_COLORLESS |
2 |
public static final int |
SETCOLOR_DEFAULT |
0 |
public static final int |
SETCOLOR_SPECIFIED |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
TRANSFORM_DISTORT |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
AAMAP_MASK |
268173312 |
public static final int |
AAMAP_MAX |
1023 |
public static final int |
AAMAP_OFF |
18 |
public static final int |
ALIPHATIC |
2 |
public static final int |
ALL_H |
49151 |
public static final double |
ANGLE_STEP |
0.2617993877991494 |
public static final int |
ANY |
131 |
public static final int |
AROMATIC |
1 |
public static final int |
AROMATIC_OR_ALIPHATIC |
3 |
public static final int |
ATOM_TYPE_COUNT |
139 |
public static final int |
ATOM_TYPE_MAX |
138 |
public static final int |
ATTACH_BOTH |
3 |
public static final int |
ATTACH_NONE |
0 |
public static final int |
ATTACH_UNKNOWN |
-1 |
public static final int |
ATTACH1 |
1 |
public static final int |
ATTACH2 |
2 |
public static final int |
BRIDGEHEAD_H |
4096 |
public static final int |
CHARGED_H |
4 |
public static final int |
CTSPECIFIC_H |
128 |
public static final int |
ELEMENT_COUNT |
118 |
public static final int |
EMPTY |
0 |
public static final int |
FIX_CHARGE |
65536 |
public static final int |
HBONDED_H |
8192 |
public static final int |
HCONNECTED_H |
64 |
public static final int |
HETERO |
132 |
public static final int |
HS_S |
1 |
public static final int |
HS_SP |
2 |
public static final int |
HS_SP2 |
3 |
public static final int |
HS_SP3 |
4 |
public static final int |
HS_UNKNOWN |
0 |
public static final int |
ISOTOPE_H |
2 |
public static final int |
LDIR_ABOVE |
2 |
public static final int |
LDIR_BELOW |
3 |
public static final int |
LDIR_LEFT |
1 |
public static final int |
LDIR_RIGHT |
0 |
public static final int |
LIST |
128 |
public static final int |
LONELY_H |
1 |
public static final int |
LP |
130 |
public static final int |
MAPPED_H |
16 |
public static final int |
METALCONNECTED_H |
32768 |
public static final int |
MULTICENTER |
137 |
public static final int |
NOTLIST |
129 |
public static final int |
OMIT_POSTCLEAN |
16384 |
public static final int |
POLYMERENDGROUP_H |
256 |
public static final int |
PSEUDO |
136 |
public static final int |
RAD_COUNT_MASK |
3072 |
public static final int |
RAD_MASK |
15360 |
public static final int |
RAD_OFF |
10 |
public static final int |
RAD1 |
1 |
public static final int |
RAD2 |
2 |
public static final int |
RAD2_SINGLET |
6 |
public static final int |
RAD2_TRIPLET |
10 |
public static final int |
RAD3 |
3 |
public static final int |
RAD3_DOUBLET |
7 |
public static final int |
RAD3_QUARTET |
11 |
public static final int |
RAD4 |
4 |
public static final char |
RADICAL_CHAR |
8226 |
public static final int |
RADICAL_H |
8 |
public static final int |
RESSEQ_MAX |
8191 |
public static final int |
RESTYPE_MAX |
63 |
public static final int |
RGROUP |
134 |
public static final int |
RGROUP_ATTACHMENT |
138 |
public static final int |
RGROUP_MAX |
32767 |
public static final int |
RXNSTEREO_INVERSION |
1 |
public static final int |
RXNSTEREO_NONE |
0 |
public static final int |
RXNSTEREO_RETENTION |
2 |
public static final int |
SETSEQ_MAX |
63 |
public static final int |
SGROUP |
135 |
public static final int |
SGROUP_H |
2048 |
public static final int |
SGROUPEND_H |
512 |
public static final int |
SMARTS_H_DAYLIGHT_COMP_MODE |
1 |
public static final int |
SMARTS_H_MARVIN_COMP_MODE |
0 |
public static final int |
STAR |
133 |
public static final int |
SYM_CX |
64 |
public static final int |
SYM_EXPLH |
4 |
public static final int |
SYM_IMPLH |
2 |
public static final int |
SYM_MOLEX |
32 |
public static final int |
SYM_NEUTRAL |
8 |
public static final int |
SYM_SMARTS |
16 |
public static final int |
SYM_SQBRACKETS |
1 |
public static final int |
UNSPECIFIED_AROMATICITY |
0 |
public static final int |
VALENCE_CHECKED |
16384 |
public static final int |
VALENCE_ERROR |
32768 |
public static final int |
VALENCEERROR_H |
1024 |
public static final int |
WEDGED_H |
32 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ANY |
0 |
public static final int |
AROMATIC |
4 |
public static final int |
BOLD |
1073741824 |
public static final double |
CCLENGTH |
1.54 |
public static final int |
CONJUGATED |
8 |
public static final int |
COORDINATE |
9 |
public static final int |
DOUBLE_OR_AROMATIC |
7 |
public static final int |
DOWN |
32 |
public static final int |
HASHED |
-2147483648 |
public static final int |
HYDROGEN |
10 |
public static final int |
RC_CHANGE |
12288 |
public static final int |
RC_MAKE_AND_CHANGE |
16384 |
public static final int |
RC_MAKE_OR_BREAK |
8192 |
public static final int |
RC_NOT_CENTER |
20480 |
public static final int |
RC_NOT_MODIFIED |
24576 |
public static final int |
RC_REACTING_CENTER |
4096 |
public static final int |
RC_UNMAPPED |
28672 |
public static final int |
REACTING_CENTER_MASK |
61440 |
public static final int |
SETSEQ_MAX |
63 |
public static final int |
SETSEQ_OFF |
24 |
public static final int |
SINGLE_OR_AROMATIC |
6 |
public static final int |
SINGLE_OR_DOUBLE |
5 |
public static final int |
STEREO_MASK |
1008 |
public static final int |
STEREO1_MASK |
48 |
public static final int |
STEREO2_CARE |
512 |
public static final int |
TOPOLOGY_CHAIN |
2048 |
public static final int |
TOPOLOGY_MASK |
3072 |
public static final int |
TOPOLOGY_RING |
1024 |
public static final int |
TYPE_MASK |
15 |
public static final int |
UP |
16 |
public static final int |
WAVY |
48 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_UNGROUP |
0 |
public static final int |
RECURSIVE_UNGROUP |
1 |
public static final int |
RM_KEEP_LEAVINGGROUPS |
128 |
public static final int |
RMCLEANUP_FROMSGROUPS |
16 |
public static final int |
RMCLEANUP_SGROUPATOMS |
8 |
protected static final int |
RMSG_DEFAULT |
0 |
protected static final int |
RMSG_KEEP_CHILDREN |
1 |
protected static final int |
RMSG_KEEP_MULTICENTER |
4 |
protected static final int |
RMSG_KEEP_PARENT |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
AROM_AMBIGUOUS |
5 |
public static final int |
AROM_BASIC |
1 |
public static final int |
AROM_CHUCKEL |
6 |
public static final int |
AROM_GENERAL |
2 |
public static final int |
AROM_LOOSE |
3 |
public static final int |
AROM_SUBSTRUCTURE |
4 |
protected static final int |
AUTO_UNGROUP |
16 |
public static final int |
CACHE_REMOVE_ALL |
0 |
public static final int |
CACHE_REMOVE_AROMATAMODULE |
8 |
public static final int |
CACHE_REMOVE_CACHEMEMORY |
1 |
public static final int |
CACHE_REMOVE_GRINVMODULE |
2 |
public static final int |
CACHE_REMOVE_PARITYMODULE |
4 |
public static final int |
CACHE_REMOVE_SSSRMODULE |
16 |
public static final int |
CACHE_REMOVE_TABS |
32 |
public static final int |
DEAROM_GENERAL |
0 |
public static final int |
DEAROM_HUCKELCHECK |
1 |
public static final int |
DEAROM_HUCKELCHECK_EX |
2 |
protected static final int |
DIM_MASK |
3 |
public static final int |
FRAG_BASIC |
0 |
public static final int |
FRAG_KEEPING_MULTICENTERS |
1 |
public static final int |
FRAG_KEEPING_SGROUPS |
2 |
public static final int |
FRAG_TYPE_COUNT |
3 |
public static final int |
GRINV_DONT_STORE |
8 |
public static final int |
GRINV_NOHYDROGEN |
1 |
public static final int |
GRINV_OLDSTEREO |
4 |
public static final int |
GRINV_STEREO |
2 |
public static final int |
GRINV_USEMAPS |
32 |
public static final int |
GRINV_VALUE_OPTIONS |
39 |
protected static final int |
INITIAL_CAPACITY |
32 |
public static final java.lang.String |
INVALID_LINKNODE_MESSAGE |
"Link node cannot be created from the specified configuration!" |
public static final int |
MIN_RING_SIZE_FOR_TRANS_DB |
8 |
public static final int |
OMIT_POSTCLEAN |
16384 |
public static final int |
RMCLEANUP_ALL |
-161 |
public static final int |
RMCLEANUP_EDGES |
1 |
protected static final int |
RMCLEANUP_FIXCOMPONENT |
32 |
public static final int |
RMCLEANUP_MOBJECT |
4 |
public static final int |
RMCLEANUP_NONE |
0 |
public static final int |
RMCLEANUP_PARENTDOC |
64 |
public static final int |
RMCLEANUP_STEREO |
2 |
protected static final int |
VALENCE_CHECK |
32 |
protected static final int |
VALENCE_CHECK_AMBIGUOUS |
64 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
COORDDEP |
1 |
public static final java.lang.String |
TYPE_3D_COORDS |
"MHCoords3D" |
public static final java.lang.String |
TYPE_ARRAY_BYTE |
"byte" |
public static final java.lang.String |
TYPE_ARRAY_DOUBLE |
"double" |
public static final java.lang.String |
TYPE_ARRAY_INTEGER |
"integer" |
public static final java.lang.String |
TYPE_BOOLEAN |
"boolean" |
public static final java.lang.String |
TYPE_COLLECTION_HASH |
"MHashProp" |
public static final java.lang.String |
TYPE_COLLECTION_LIST |
"MListProp" |
public static final java.lang.String |
TYPE_CONFORMER_DESCRIPTOR |
"chemaxon.marvin.modelling.struc.ConformersDescriptor" |
public static final java.lang.String |
TYPE_DOUBLE |
"double" |
public static final java.lang.String |
TYPE_FONT |
"mfont" |
public static final java.lang.String |
TYPE_INTEGER |
"integer" |
public static final java.lang.String |
TYPE_MDOCUMENT_PROP |
"MDocument" |
public static final java.lang.String |
TYPE_MOLECULE |
"Molecule" |
public static final java.lang.String |
TYPE_OBJECT |
"object" |
public static final java.lang.String |
TYPE_STRING |
"string" |
public static final java.lang.String |
TYPE_VOLUMETRIC_DATA |
"VolumetricData" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
LABEL |
"\\bold{No Structure}" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_RLOGIC_RANGE |
"" |
public static final int |
RG_ID_MASK |
32767 |
public static final int |
RG_ID2_FLAG |
32768 |
public static final int |
RG_ID2_MASK |
2147418112 |
public static final int |
RG_ID2_OFF |
16 |
public static final int |
RG_RESTH |
-2147483648 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
AGENTS |
2 |
public static final int |
EQUILIBRIUM |
3 |
public static final int |
PRODUCTS |
1 |
public static final int |
REACTANTS |
0 |
public static final int |
REGULAR_DOUBLE |
2 |
public static final int |
REGULAR_SINGLE |
0 |
public static final int |
RESONANCE |
1 |
public static final int |
RETROSYNTHETIC |
2 |
public static final int |
RGROUPED |
4 |
public static final int |
TWO_HEADED_DOUBLE |
3 |
public static final int |
TWO_HEADED_SINGLE |
1 |
public static final int |
TYPE_COUNT |
3 |
public static final int |
TYPE_MASK |
3 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
CHARGE_ON_ATOMS |
1 |
public static final int |
CHARGE_ON_GROUP |
2 |
public static final int |
PR_ATSYMS |
1 |
protected static final int |
RA_IN_EXPAND |
1 |
protected static final int |
RA_REMOVE_EXCEPT_RU |
2 |
public static final int |
SCN_EITHER_UNKNOWN |
0 |
public static final int |
SCN_HEAD_TO_HEAD |
1 |
public static final int |
SCN_HEAD_TO_TAIL |
2 |
public static final int |
SGROUP_TYPE_COUNT |
16 |
public static final int |
SORT_CHILD_PARENT |
2 |
public static final int |
SORT_PARENT_CHILD |
1 |
public static final int |
SST_ALTERNATING |
1 |
public static final int |
SST_BLOCK |
3 |
public static final int |
SST_RANDOM |
2 |
public static final int |
ST_AMINOACID |
16 |
public static final int |
ST_ANY |
11 |
public static final int |
ST_COMPONENT |
13 |
public static final int |
ST_COPOLYMER |
5 |
public static final int |
ST_CROSSLINK |
6 |
public static final int |
ST_DATA |
10 |
public static final int |
ST_FORMULATION |
9 |
public static final int |
ST_GENERIC |
12 |
public static final int |
ST_GRAFT |
15 |
public static final int |
ST_MER |
4 |
public static final int |
ST_MIXTURE |
8 |
public static final int |
ST_MODIFICATION |
7 |
public static final int |
ST_MONOMER |
3 |
public static final int |
ST_MULTICENTER |
14 |
public static final int |
ST_MULTIPLE |
1 |
public static final int |
ST_SRU |
2 |
public static final int |
ST_SUPERATOM |
0 |
public static final int |
XSTATE_C |
2 |
public static final int |
XSTATE_NONE |
0 |
public static final int |
XSTATE_X |
1 |
public static final int |
XSTATE_XC |
3 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
A_ALL |
4095 |
public static final int |
A_ASTEREO |
3072 |
public static final int |
A_ATOMMAP |
256 |
public static final int |
A_BOND |
1 |
public static final int |
A_CHARGE |
2 |
public static final int |
A_CHIRALITY |
2048 |
public static final int |
A_EXPLH |
64 |
public static final int |
A_HYBRIDIZATION |
8 |
public static final int |
A_IMPLH |
32 |
public static final int |
A_MASSNO |
16 |
public static final int |
A_PARITY |
1024 |
public static final int |
A_RADICAL |
4 |
public static final int |
A_RGROUP |
512 |
public static final int |
A_VALENCE |
128 |
public static final int |
RGROUP_MAX |
32767 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ANTI |
1024 |
public static final int |
ATOMSTEREO_EITHER |
64 |
public static final int |
ATOMSTEREO_MASK |
96 |
public static final int |
ATOMSTEREO_NONE |
0 |
public static final int |
ATOMSTEREO_SPECIFIC |
32 |
public static final int |
CHIRALITY_M |
256 |
public static final int |
CHIRALITY_MASK |
24 |
public static final int |
CHIRALITY_P |
128 |
public static final int |
CHIRALITY_r |
32 |
public static final int |
CHIRALITY_R |
8 |
public static final int |
CHIRALITY_s |
64 |
public static final int |
CHIRALITY_S |
16 |
public static final int |
CHIRALITYSUPPORT_ALL |
2 |
public static final int |
CHIRALITYSUPPORT_ALL_POSSIBLE |
3 |
public static final int |
CHIRALITYSUPPORT_NONE |
0 |
public static final int |
CHIRALITYSUPPORT_SELECTED |
1 |
public static final int |
CIS |
128 |
public static final int |
CIS_TRANS |
192 |
public static final int |
CTUMASK |
448 |
public static final int |
CTUNKNOWN |
512 |
public static final int |
CTUNSPEC |
256 |
public static final int |
DBS_ALL |
0 |
public static final int |
DBS_MARKED |
1 |
public static final int |
DBS_NONE |
2 |
public static final int |
ENDO |
2048 |
public static final int |
EXO |
4096 |
public static final int |
PARITY_ALLENE |
2 |
public static final int |
PARITY_EITHER |
3 |
public static final int |
PARITY_EVEN |
2 |
public static final int |
PARITY_MASK |
7 |
public static final int |
PARITY_NONE |
0 |
public static final int |
PARITY_ODD |
1 |
public static final int |
PARITY_TETRAHEDRAL |
1 |
public static final int |
PARITY_UNSPEC |
4 |
public static final int |
STGRP_ABS |
1 |
public static final int |
STGRP_AND |
3 |
public static final int |
STGRP_NONE |
0 |
public static final int |
STGRP_OR |
2 |
public static final int |
SYN |
512 |
public static final int |
TRANS |
64 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final double |
ARC_BRACES |
75.0 |
public static final double |
ARC_ROUND |
90.0 |
public static final int |
T_BRACES |
2 |
public static final int |
T_CHEVRONS |
3 |
public static final int |
T_DOUBLE |
5 |
public static final int |
T_ROUND |
0 |
public static final int |
T_SINGLE |
4 |
public static final int |
T_SQUARE |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
E_SINK |
1 |
public static final int |
E_SOURCE |
0 |
public static final java.lang.String |
lonePairState |
"lonePairState" |
public static final java.lang.String |
radicalState |
"radicalState" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
electronRadious |
"electronRadious" |
public static final java.lang.String |
lonePairCoordsLabel |
"lonePairCoords" |
public static final java.lang.String |
lonePairRealCoordsLabel |
"lonePairRealCoords" |
public static final java.lang.String |
radicalCoordsLabel |
"radicalCoords" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
BOLD |
1 |
public static final int |
ITALIC |
2 |
public static final int |
PLAIN |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ARROW_BACK_FLAG |
1 |
public static final int |
ARROW_CROSSED_FLAG |
64 |
public static final int |
ARROW_CURVED_FLAG |
128 |
public static final int |
ARROW_DASHED_FLAG |
32 |
public static final int |
ARROW_EQUILIBRIUM_FLAG |
16 |
public static final int |
ARROW_GROUP1_MASK |
24 |
public static final int |
ARROW_GROUP2_MASK |
224 |
public static final int |
ARROW_HALF_LEFT |
2 |
public static final int |
ARROW_HALF_MASK |
6 |
public static final int |
ARROW_HALF_RIGHT |
4 |
public static final int |
ARROW_RETROSYNTHETIC_FLAG |
8 |
public static final int |
CLOSED_FLAG |
1 |
public static final double |
DEFAULT_ARROW_HEAD_LENGTH |
0.6 |
public static final double |
DEFAULT_ARROW_HEAD_WIDTH |
0.4 |
public static final double |
DEFAULT_EQUILIBRIUM_HEAD_WIDTH |
3.5 |
public static final double |
DEFAULT_MAX_CROSS_SIZE |
1.75 |
public static final double |
DEFAULT_RETROSYNTHETIC_HEAD_WIDTH |
3.0 |
public static final double |
DEFAULT_THICKNESS |
0.0625 |
public static final int |
HEAD |
1 |
public static final int |
TAIL |
0 |
public static final int |
THICKNESS_SET_FLAG |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
P_CENTER |
4 |
public static final int |
P_E |
6 |
public static final int |
P_N |
5 |
public static final int |
P_NE |
1 |
public static final int |
P_NW |
0 |
public static final int |
P_S |
7 |
public static final int |
P_SE |
2 |
public static final int |
P_SW |
3 |
public static final int |
P_W |
8 |
public static final int |
T_NOROT |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
A_ALL |
1023 |
public static final int |
A_BOLD |
32 |
public static final int |
A_DX |
256 |
public static final int |
A_DY |
512 |
public static final int |
A_FONT |
4 |
public static final int |
A_FONT_BITS |
124 |
public static final int |
A_FONTFAMILY |
8 |
public static final int |
A_FONTSIZE |
16 |
public static final int |
A_FOREGROUND |
2 |
public static final int |
A_ITALIC |
64 |
public static final int |
A_SCALE |
128 |
public static final int |
A_SUBLEVEL |
1 |
public static final double |
DEFAULT_SUPERSCRIPT_DELTAY |
0.6 |
public static final double |
DEFAULT_SUPERSCRIPT_SCALE |
0.7 |
public static final int |
DEFAULT_SUPERSCRIPT_SUBLEVEL |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
ALIGN_BOTTOM |
2 |
public static final int |
ALIGN_CENTER |
1 |
public static final int |
ALIGN_LEFT |
0 |
public static final int |
ALIGN_RIGHT |
2 |
public static final int |
ALIGN_TOP |
0 |
public static final int |
FONT_DEFAULT_SCALE |
10 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DT_FORMATTED |
1 |
public static final int |
DT_NUMERIC |
2 |
public static final int |
DT_TEXT |
3 |
public static final int |
DT_UNSPEC |
0 |
public static final int |
DT_URL |
4 |
public static final int |
HIDDEN |
-2 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
COORDS_UPDATE |
16 |
public static final int |
DEFAULT_OPTIONS |
0 |
public static final int |
FAST_COORDS |
8 |
public static final int |
LEAVE_COORDS_UNCHANGED |
2 |
public static final int |
MDL_EXPAND |
1 |
public static final int |
NONRECURSIVE_EXPAND |
4 |
public static final int |
REVERSIBLE_EXPAND |
2 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
LABEL_AUTO |
-1 |
public static final int |
LABEL_DEFAULT |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
DEFAULT_PROPERTY_TABLE |
"JChemProperties" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
CLASS_NOT_FOUND_ERROR |
7 |
public static final int |
DATABASE_SEARCH_ERROR |
3 |
public static final int |
ILLEGAL_ACCESS_ERROR |
9 |
public static final int |
INSTANTIATION_ERROR |
8 |
public static final int |
IO_ERROR |
5 |
public static final int |
MAX_SEARCH_FREQUENCY_EXCEEDED_ERROR |
2 |
public static final int |
MOL_FORMAT_ERROR |
4 |
public static final int |
NO_ERROR |
0 |
public static final int |
SQL_ERROR |
10 |
public static final int |
UNIDENTIFIED_ERROR |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DISSIMILARITY |
2 |
public static final int |
MARKUSH_REDUCTION |
1 |
public static final int |
MARKUSH_REDUCTION_HGEXPANSION |
2 |
public static final int |
ORIGINAL_MARKUSH |
0 |
public static final java.lang.String |
QUERY_LABEL |
"Query" |
public static final int |
SIMILARITY |
3 |
public static final java.lang.String |
SIMILARITY_LABEL |
"Score" |
public static final int |
SIMILARITY_OFF |
1 |
public static final java.lang.String |
TARGET_LABEL |
"Target" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
HIT_ATOM_SET |
1 |
public static final int |
HIT_BOND_SET |
0 |
public static final int |
NON_HIT_ATOM_SET |
0 |
public static final int |
NON_HIT_BOND_SET |
1 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
PROP_ALIGNHIT |
"alignHit" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
IN_INPUT_ORDER |
1 |
public static final int |
SINGLE_THREADED |
2 |
public static final int |
UNORDERED |
0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
INCLUDE_ALL_ATOMS |
0 |
public static final int |
INCLUDE_ALL_BONDS |
0 |
public static final int |
INCLUDE_CHEMICAL_ATOMS |
14 |
public static final int |
INCLUDE_CHEMICAL_ATOMS_ONLY |
14 |
public static final int |
REPLACE_COORDINATE_BONDS |
4 |
public static final int |
SKIP_COORDINATE_BONDS |
1 |
public static final int |
SKIP_COVALENT_BONDS |
2 |
public static final int |
SKIP_EXPLICIT_H |
1 |
public static final int |
SKIP_LONE_PAIR |
4 |
public static final int |
SKIP_MULTICENTER |
2 |
public static final int |
SKIP_PSEUDO_ATOM |
8 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final java.lang.String |
UTF8ENCODING |
"UTF-8" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
BYTES_IN_INT |
4 |
public static final int |
BYTES_IN_LONG |
8 |
public static final int |
LOG2_BYTES_IN_INT |
2 |
public static final int |
LOG2_BYTES_IN_LONG |
3 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_BITS_TO_SET_FOR_PATTERNS |
3 |
public static final int |
DEFAULT_CFP_LENGTH |
1024 |
public static final int |
DEFAULT_CFP_MAX_PATTERN_LENGTH |
7 |
public static final boolean |
DEFAULT_CONSIDER_RINGS |
true |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_ECFP_DIAMETER |
4 |
public static final int |
DEFAULT_ECFP_LENGTH |
1024 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_MACCS_LENGTH |
192 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_LENGTH |
1024 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_LENGTH |
1 |
public static final double |
DEFAULT_SCALED_MAX |
1.0 |
public static final double |
DEFAULT_SCALED_MIN |
0.0 |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_CACHE_SIZE |
1000 |
public static final java.lang.String |
DEFAULT_CACHE_SIZE_PROPERTY |
"chemaxon.automapper.AutoMapper.cacheSize" |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final long |
DEFAULT_RANDOM_SEED |
308051301241514L |
Modifier and Type | Constant Field | Value |
---|---|---|
public static final int |
DEFAULT_MAX_CONSIDERED_RING_SIZE |
8 |