Constant Field Values

Contents

chemaxon.calculations.*

  • chemaxon.calculations.dipole.DipoleResult 
    Modifier and Type Constant Field Value
    protected static final double DEBYE_TO_EA 0.20822678
  • chemaxon.calculations.stereo.Stereochemistry 
    Modifier and Type Constant Field Value
    public static final int EVEN 2
    public static final int ODD 1

chemaxon.checkers.*

chemaxon.core.*

  • chemaxon.core.ChemConst 
    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
  • chemaxon.core.util.BondTable 
    Modifier and Type Constant Field Value
    public static final int DEFAULT_VALUE -1

chemaxon.descriptors.*

  • chemaxon.descriptors.CDParameters 
    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
  • chemaxon.descriptors.CFParameters 
    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
  • chemaxon.descriptors.ECFPParameters 
    Modifier and Type Constant Field Value
    public static final int DEFAULT_DIAMETER 4
    public static final int DEFAULT_LENGTH 1024
  • chemaxon.descriptors.MDParameters 
    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
  • chemaxon.descriptors.MetricsType 
    Modifier and Type Constant Field Value
    public static final String SEPARATOR ":"
  • chemaxon.descriptors.PFParameters 
    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 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"
  • chemaxon.descriptors.RFParameters 
    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

chemaxon.fixers.*

chemaxon.formats.*

  • chemaxon.formats.recognizer.AbbrevGroupRecognizer 
    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
  • chemaxon.formats.recognizer.PDBRecognizer 
    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

chemaxon.jep.*

chemaxon.license.*

chemaxon.marvin.*

  • chemaxon.marvin.alignment.MinMaxDistance 
    Modifier and Type Constant Field Value
    public static final double WEIGHT 1.0
  • chemaxon.marvin.alignment.Pharmacophore3D 
    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
  • chemaxon.marvin.io.MRecord 
    Modifier and Type Constant Field Value
    public static final int F_MOL_MISSING 1

chemaxon.naming.*

chemaxon.pharmacophore.*

chemaxon.reaction.*

chemaxon.sss.*

chemaxon.standardizer.*

chemaxon.struc.*

chemaxon.util.*

com.chemaxon.*

  • com.chemaxon.descriptors.vectors.binary.BvParameters 
    Modifier and Type Constant Field Value
    public static final int DEFAULT_LENGTH 1024