summaryrefslogtreecommitdiff
path: root/java/joelib2/molecule/ChiralityHelper.class
blob: b1265d72697b2d6fad561cde67448443a5d3fee4 (plain)
ofshex dumpascii
0000 ca fe ba be 00 00 00 31 00 ac 0a 00 2d 00 49 0a 00 25 00 4a 0b 00 4b 00 4c 0b 00 4d 00 4e 0b 00 .......1....-.I..%.J..K.L..M.N..
0020 4d 00 4f 0b 00 50 00 51 0b 00 50 00 52 0b 00 50 00 53 0b 00 54 00 55 0a 00 2a 00 56 0b 00 4b 00 M.O..P.Q..P.R..P.S..T.U..*.V..K.
0040 57 0b 00 58 00 4e 0b 00 58 00 59 0a 00 2c 00 5a 0a 00 2b 00 5b 0b 00 54 00 5c 0a 00 25 00 5d 09 W..X.N..X.Y..,.Z..+.[..T.\..%.].
0060 00 25 00 5e 08 00 5f 08 00 60 0a 00 61 00 62 08 00 63 0b 00 54 00 64 07 00 65 0a 00 18 00 49 0b .%.^.._..`..a.b..c..T.d..e....I.
0080 00 66 00 4e 0b 00 66 00 67 0b 00 68 00 69 0b 00 68 00 6a 07 00 6b 0a 00 1e 00 6c 0a 00 6d 00 6e .f.N..f.g..h.i..h.j..k....l..m.n
00a0 06 3f 50 62 4d d2 f1 a9 fc 0a 00 1e 00 6f 0b 00 68 00 70 07 00 71 0a 00 29 00 72 0a 00 73 00 74 .?PbM........o..h.p..q..).r..s.t
00c0 09 00 25 00 75 07 00 76 07 00 77 07 00 78 07 00 79 07 00 7a 01 00 06 56 45 4e 44 4f 52 01 00 12 ..%.u..v..w..x..y..z...VENDOR...
00e0 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 01 00 0d 43 6f 6e 73 74 61 6e 74 56 61 6c Ljava/lang/String;...ConstantVal
0100 75 65 01 00 0f 52 45 4c 45 41 53 45 5f 56 45 52 53 49 4f 4e 01 00 0c 52 45 4c 45 41 53 45 5f 44 ue...RELEASE_VERSION...RELEASE_D
0120 41 54 45 01 00 06 6c 6f 67 67 65 72 01 00 1b 4c 6f 72 67 2f 61 70 61 63 68 65 2f 6c 6f 67 34 6a ATE...logger...Lorg/apache/log4j
0140 2f 43 61 74 65 67 6f 72 79 3b 01 00 0c 44 45 50 45 4e 44 45 4e 43 49 45 53 01 00 12 5b 4c 6a 61 /Category;...DEPENDENCIES...[Lja
0160 76 61 2f 6c 61 6e 67 2f 43 6c 61 73 73 3b 01 00 16 43 48 49 52 41 4c 49 54 59 5f 47 50 5f 54 48 va/lang/Class;...CHIRALITY_GP_TH
0180 52 45 53 48 4f 4c 44 01 00 01 44 01 00 06 3c 69 6e 69 74 3e 01 00 03 28 29 56 01 00 04 43 6f 64 RESHOLD...D...<init>...()V...Cod
01a0 65 01 00 11 66 69 6e 64 43 68 69 72 61 6c 43 65 6e 74 65 72 73 01 00 20 28 4c 6a 6f 65 6c 69 62 e...findChiralCenters...(Ljoelib
01c0 32 2f 6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65 63 75 6c 65 3b 5b 5a 29 56 01 00 0f 67 65 74 44 65 2/molecule/Molecule;[Z)V...getDe
01e0 70 65 6e 64 65 6e 63 69 65 73 01 00 14 28 29 5b 4c 6a 61 76 61 2f 6c 61 6e 67 2f 43 6c 61 73 73 pendencies...()[Ljava/lang/Class
0200 3b 01 00 0e 67 65 74 52 65 6c 65 61 73 65 44 61 74 65 01 00 14 28 29 4c 6a 61 76 61 2f 6c 61 6e ;...getReleaseDate...()Ljava/lan
0220 67 2f 53 74 72 69 6e 67 3b 01 00 11 67 65 74 52 65 6c 65 61 73 65 56 65 72 73 69 6f 6e 01 00 09 g/String;...getReleaseVersion...
0240 67 65 74 56 65 6e 64 6f 72 01 00 0f 63 68 65 63 6b 4e 65 69 67 68 62 6f 75 72 73 01 00 1c 28 4c getVendor...checkNeighbours...(L
0260 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 5b 44 29 5a 01 00 13 6d 61 79 joelib2/molecule/Atom;[D)Z...may
0280 48 61 76 65 43 68 69 72 61 6c 43 65 6e 74 65 72 01 00 1e 28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c HaveChiralCenter...(Ljoelib2/mol
02a0 65 63 75 6c 65 2f 4d 6f 6c 65 63 75 6c 65 3b 29 5a 01 00 08 3c 63 6c 69 6e 69 74 3e 0c 00 39 00 ecule/Molecule;)Z...<clinit>..9.
02c0 3a 0c 00 46 00 47 07 00 7b 0c 00 7c 00 7d 07 00 7e 0c 00 7f 00 80 0c 00 81 00 82 07 00 83 0c 00 :..F.G..{..|.}..~...............
02e0 84 00 80 0c 00 85 00 80 0c 00 86 00 87 07 00 88 0c 00 89 00 3a 0c 00 8a 00 8b 0c 00 8c 00 8d 07 ....................:...........
0300 00 8e 0c 00 8f 00 87 0c 00 90 00 91 0c 00 92 00 91 0c 00 93 00 94 0c 00 44 00 45 0c 00 35 00 36 ........................D.E..5.6
0320 01 00 14 68 74 74 70 3a 2f 2f 6a 6f 65 6c 69 62 2e 73 66 2e 6e 65 74 01 00 11 24 52 65 76 69 73 ...http://joelib.sf.net...$Revis
0340 69 6f 6e 3a 20 31 2e 31 30 20 24 07 00 95 0c 00 96 00 97 01 00 1c 24 44 61 74 65 3a 20 32 30 30 ion:.1.10.$...........$Date:.200
0360 35 2f 30 32 2f 31 37 20 31 36 3a 34 38 3a 33 36 20 24 0c 00 98 00 99 01 00 10 6a 61 76 61 2f 75 5/02/17.16:48:36.$........java/u
0380 74 69 6c 2f 56 65 63 74 6f 72 07 00 9a 0c 00 9b 00 87 07 00 9c 0c 00 9d 00 94 0c 00 9e 00 9f 01 til/Vector......................
03a0 00 10 6a 61 76 61 2f 6c 61 6e 67 2f 44 6f 75 62 6c 65 0c 00 a0 00 a1 07 00 a2 0c 00 a3 00 a4 0c ..java/lang/Double..............
03c0 00 39 00 a5 0c 00 a6 00 a7 01 00 20 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 43 68 69 .9..........joelib2/molecule/Chi
03e0 72 61 6c 69 74 79 48 65 6c 70 65 72 0c 00 a8 00 41 07 00 a9 0c 00 aa 00 ab 0c 00 33 00 34 01 00 ralityHelper....A..........3.4..
0400 0f 6a 61 76 61 2f 6c 61 6e 67 2f 43 6c 61 73 73 01 00 25 6a 6f 65 6c 69 62 32 2f 66 65 61 74 75 .java/lang/Class..%joelib2/featu
0420 72 65 2f 74 79 70 65 73 2f 47 72 61 70 68 50 6f 74 65 6e 74 69 61 6c 73 01 00 30 6a 6f 65 6c 69 re/types/GraphPotentials..0joeli
0440 62 32 2f 66 65 61 74 75 72 65 2f 74 79 70 65 73 2f 61 74 6f 6d 6c 61 62 65 6c 2f 41 74 6f 6d 48 b2/feature/types/atomlabel/AtomH
0460 65 61 76 79 56 61 6c 65 6e 63 65 01 00 31 6a 6f 65 6c 69 62 32 2f 66 65 61 74 75 72 65 2f 74 79 eavyValence..1joelib2/feature/ty
0480 70 65 73 2f 61 74 6f 6d 6c 61 62 65 6c 2f 41 74 6f 6d 48 79 62 72 69 64 69 73 61 74 69 6f 6e 01 pes/atomlabel/AtomHybridisation.
04a0 00 10 6a 61 76 61 2f 6c 61 6e 67 2f 4f 62 6a 65 63 74 01 00 19 6a 6f 65 6c 69 62 32 2f 6d 6f 6c ..java/lang/Object...joelib2/mol
04c0 65 63 75 6c 65 2f 4d 6f 6c 65 63 75 6c 65 01 00 0c 62 6f 6e 64 49 74 65 72 61 74 6f 72 01 00 26 ecule/Molecule...bondIterator..&
04e0 28 29 4c 6a 6f 65 6c 69 62 32 2f 75 74 69 6c 2f 69 74 65 72 61 74 6f 72 2f 42 6f 6e 64 49 74 65 ()Ljoelib2/util/iterator/BondIte
0500 72 61 74 6f 72 3b 01 00 22 6a 6f 65 6c 69 62 32 2f 75 74 69 6c 2f 69 74 65 72 61 74 6f 72 2f 42 rator;.."joelib2/util/iterator/B
0520 6f 6e 64 49 74 65 72 61 74 6f 72 01 00 07 68 61 73 4e 65 78 74 01 00 03 28 29 5a 01 00 08 6e 65 ondIterator...hasNext...()Z...ne
0540 78 74 42 6f 6e 64 01 00 19 28 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 42 6f 6e xtBond...()Ljoelib2/molecule/Bon
0560 64 3b 01 00 15 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 42 6f 6e 64 01 00 07 69 73 57 d;...joelib2/molecule/Bond...isW
0580 65 64 67 65 01 00 06 69 73 48 61 73 68 01 00 08 67 65 74 42 65 67 69 6e 01 00 19 28 29 4c 6a 6f edge...isHash...getBegin...()Ljo
05a0 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 01 00 15 6a 6f 65 6c 69 62 32 2f 6d elib2/molecule/Atom;...joelib2/m
05c0 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 01 00 09 73 65 74 43 68 69 72 61 6c 01 00 0f 67 72 61 70 68 olecule/Atom...setChiral...graph
05e0 50 6f 74 65 6e 74 69 61 6c 73 01 00 1f 28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f Potentials...(Ljoelib2/molecule/
0600 4d 6f 6c 65 63 75 6c 65 3b 29 5b 44 01 00 0c 61 74 6f 6d 49 74 65 72 61 74 6f 72 01 00 26 28 29 Molecule;)[D...atomIterator..&()
0620 4c 6a 6f 65 6c 69 62 32 2f 75 74 69 6c 2f 69 74 65 72 61 74 6f 72 2f 41 74 6f 6d 49 74 65 72 61 Ljoelib2/util/iterator/AtomItera
0640 74 6f 72 3b 01 00 22 6a 6f 65 6c 69 62 32 2f 75 74 69 6c 2f 69 74 65 72 61 74 6f 72 2f 41 74 6f tor;.."joelib2/util/iterator/Ato
0660 6d 49 74 65 72 61 74 6f 72 01 00 08 6e 65 78 74 41 74 6f 6d 01 00 0b 67 65 74 49 6e 74 56 61 6c mIterator...nextAtom...getIntVal
0680 75 65 01 00 1a 28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 29 49 01 ue...(Ljoelib2/molecule/Atom;)I.
06a0 00 07 76 61 6c 65 6e 63 65 01 00 08 67 65 74 49 6e 64 65 78 01 00 03 28 29 49 01 00 23 6a 6f 65 ..valence...getIndex...()I..#joe
06c0 6c 69 62 32 2f 64 61 74 61 2f 49 64 65 6e 74 69 66 69 65 72 45 78 70 65 72 74 53 79 73 74 65 6d lib2/data/IdentifierExpertSystem
06e0 01 00 0f 74 72 61 6e 73 66 6f 72 6d 43 56 53 74 61 67 01 00 26 28 4c 6a 61 76 61 2f 6c 61 6e 67 ...transformCVStag..&(Ljava/lang
0700 2f 53 74 72 69 6e 67 3b 29 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 01 00 0f 6e 62 /String;)Ljava/lang/String;...nb
0720 72 41 74 6f 6d 49 74 65 72 61 74 6f 72 01 00 29 28 29 4c 6a 6f 65 6c 69 62 32 2f 75 74 69 6c 2f rAtomIterator..)()Ljoelib2/util/
0740 69 74 65 72 61 74 6f 72 2f 4e 62 72 41 74 6f 6d 49 74 65 72 61 74 6f 72 3b 01 00 25 6a 6f 65 6c iterator/NbrAtomIterator;..%joel
0760 69 62 32 2f 75 74 69 6c 2f 69 74 65 72 61 74 6f 72 2f 4e 62 72 41 74 6f 6d 49 74 65 72 61 74 6f ib2/util/iterator/NbrAtomIterato
0780 72 01 00 0b 6e 65 78 74 4e 62 72 41 74 6f 6d 01 00 0e 6a 61 76 61 2f 75 74 69 6c 2f 4c 69 73 74 r...nextNbrAtom...java/util/List
07a0 01 00 04 73 69 7a 65 01 00 03 67 65 74 01 00 15 28 49 29 4c 6a 61 76 61 2f 6c 61 6e 67 2f 4f 62 ...size...get...(I)Ljava/lang/Ob
07c0 6a 65 63 74 3b 01 00 0b 64 6f 75 62 6c 65 56 61 6c 75 65 01 00 03 28 29 44 01 00 0e 6a 61 76 61 ject;...doubleValue...()D...java
07e0 2f 6c 61 6e 67 2f 4d 61 74 68 01 00 03 61 62 73 01 00 04 28 44 29 44 01 00 04 28 44 29 56 01 00 /lang/Math...abs...(D)D...(D)V..
0800 03 61 64 64 01 00 15 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 4f 62 6a 65 63 74 3b 29 5a 01 00 07 67 .add...(Ljava/lang/Object;)Z...g
0820 65 74 4e 61 6d 65 01 00 19 6f 72 67 2f 61 70 61 63 68 65 2f 6c 6f 67 34 6a 2f 43 61 74 65 67 6f etName...org/apache/log4j/Catego
0840 72 79 01 00 0b 67 65 74 49 6e 73 74 61 6e 63 65 01 00 2f 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 ry...getInstance../(Ljava/lang/S
0860 74 72 69 6e 67 3b 29 4c 6f 72 67 2f 61 70 61 63 68 65 2f 6c 6f 67 34 6a 2f 43 61 74 65 67 6f 72 tring;)Lorg/apache/log4j/Categor
0880 79 3b 00 21 00 25 00 2d 00 00 00 06 00 1a 00 2e 00 2f 00 01 00 30 00 00 00 02 00 13 00 1a 00 31 y;.!.%.-........./...0.........1
08a0 00 2f 00 01 00 30 00 00 00 02 00 14 00 1a 00 32 00 2f 00 01 00 30 00 00 00 02 00 16 00 0a 00 33 ./...0.........2./...0.........3
08c0 00 34 00 00 00 1a 00 35 00 36 00 00 00 1a 00 37 00 38 00 01 00 30 00 00 00 02 00 21 00 09 00 01 .4.....5.6.....7.8...0.....!....
08e0 00 39 00 3a 00 01 00 3b 00 00 00 11 00 01 00 01 00 00 00 05 2a b7 00 01 b1 00 00 00 00 00 29 00 .9.:...;............*.........).
0900 3c 00 3d 00 01 00 3b 00 00 00 a5 00 03 00 07 00 00 00 99 2a b8 00 02 99 00 94 2a b9 00 03 01 00 <.=...;............*......*.....
0920 4e 2d b9 00 04 01 00 99 00 2a 2d b9 00 05 01 00 4d 2c b9 00 06 01 00 9a 00 0c 2c b9 00 07 01 00 N-.......*-.....M,........,.....
0940 99 ff e1 2c b9 00 08 01 00 b9 00 09 01 00 a7 ff d3 2a b8 00 0a 3a 04 2a b9 00 0b 01 00 3a 06 19 ...,.............*...:.*.....:..
0960 06 b9 00 0c 01 00 99 00 45 19 06 b9 00 0d 01 00 3a 05 19 05 b8 00 0e 06 a0 ff e7 19 05 b8 00 0f ........E.......:...............
0980 06 a1 ff de 2b 19 05 b9 00 10 01 00 04 64 33 9a ff d0 19 05 19 04 b8 00 11 99 ff c6 2b 19 05 b9 ....+........d3.............+...
09a0 00 10 01 00 04 64 04 54 a7 ff b7 b1 00 00 00 00 00 09 00 3e 00 3f 00 01 00 3b 00 00 00 10 00 01 .....d.T...........>.?...;......
09c0 00 00 00 00 00 04 b2 00 12 b0 00 00 00 00 00 09 00 40 00 41 00 01 00 3b 00 00 00 0f 00 01 00 00 .................@.A...;........
09e0 00 00 00 03 12 13 b0 00 00 00 00 00 09 00 42 00 41 00 01 00 3b 00 00 00 12 00 01 00 00 00 00 00 ..............B.A...;...........
0a00 06 12 14 b8 00 15 b0 00 00 00 00 00 09 00 43 00 41 00 01 00 3b 00 00 00 12 00 01 00 00 00 00 00 ..............C.A...;...........
0a20 06 12 16 b8 00 15 b0 00 00 00 00 00 0a 00 44 00 45 00 01 00 3b 00 00 00 96 00 06 00 0b 00 00 00 ..............D.E...;...........
0a40 8a 2a b9 00 17 01 00 4d 04 3e bb 00 18 59 b7 00 19 3a 04 2c b9 00 1a 01 00 99 00 70 2c b9 00 1b .*.....M.>...Y...:.,.......p,...
0a60 01 00 3a 05 2b 19 05 b9 00 10 01 00 04 64 31 39 08 03 36 0a 15 0a 19 04 b9 00 1c 01 00 a2 00 2b ..:.+........d19..6............+
0a80 19 04 15 0a b9 00 1d 02 00 c0 00 1e b6 00 1f 39 06 18 08 18 06 67 b8 00 20 14 00 21 98 9c 00 05 ...............9.....g.....!....
0aa0 03 3e 84 0a 01 a7 ff cf 1d 99 00 20 19 04 bb 00 1e 59 2b 19 05 b9 00 10 01 00 04 64 31 b7 00 23 .>...............Y+........d1..#
0ac0 b9 00 24 02 00 57 a7 ff 8d 1d ac 00 00 00 00 00 0a 00 46 00 47 00 01 00 3b 00 00 00 3f 00 02 00 ..$..W............F.G...;...?...
0ae0 05 00 00 00 33 03 3c 2a b9 00 0b 01 00 3a 04 19 04 b9 00 0c 01 00 99 00 20 19 04 b9 00 0d 01 00 ....3.<*.....:..................
0b00 4d 2c b8 00 0e 06 a0 ff e9 2c b8 00 0e 06 a1 ff e1 04 3c a7 00 03 1b ac 00 00 00 00 00 08 00 48 M,.......,........<............H
0b20 00 3a 00 01 00 3b 00 00 00 32 00 04 00 00 00 00 00 26 13 00 25 b6 00 26 b8 00 27 b3 00 28 06 bd .:...;...2.......&..%..&..'..(..
0b40 00 29 59 03 13 00 2a 53 59 04 13 00 2b 53 59 05 13 00 2c 53 b3 00 12 b1 00 00 00 00 00 00 .)Y...*SY...+SY...,S..........