ofs | hex dump | ascii |
---|
0000 | ca fe ba be 00 00 00 31 00 a9 0a 00 38 00 45 07 00 46 0a 00 02 00 45 0a 00 47 00 48 0a 00 47 00 | .......1....8.E..F....E..G.H..G. |
0020 | 49 09 00 33 00 4a 07 00 4b 0a 00 07 00 45 08 00 4c 0a 00 07 00 4d 08 00 4e 0a 00 07 00 4f 0a 00 | I..3.J..K....E..L....M..N....O.. |
0040 | 50 00 51 0a 00 52 00 53 07 00 54 0a 00 0f 00 55 07 00 56 07 00 57 0a 00 12 00 58 0a 00 11 00 59 | P.Q..R.S..T....U..V..W....X....Y |
0060 | 0a 00 11 00 5a 07 00 5b 0a 00 16 00 5c 0a 00 16 00 5d 07 00 5e 0a 00 19 00 45 0a 00 16 00 5f 0a | ....Z..[....\....]..^....E...._. |
0080 | 00 02 00 60 09 00 52 00 61 08 00 62 09 00 33 00 63 0a 00 36 00 64 0a 00 07 00 65 08 00 66 08 00 | ...`..R.a..b..3.c..6.d....e..f.. |
00a0 | 67 0a 00 68 00 69 0a 00 11 00 6a 07 00 6b 0a 00 26 00 6c 08 00 6d 0a 00 6e 00 6f 08 00 70 0a 00 | g..h.i....j..k..&.l..m..n.o..p.. |
00c0 | 6e 00 71 08 00 72 0a 00 33 00 73 08 00 74 08 00 75 08 00 76 08 00 77 08 00 78 07 00 79 0a 00 7a | n.q..r..3.s..t..u..v..w..x..y..z |
00e0 | 00 7b 0a 00 50 00 7c 07 00 7d 0a 00 36 00 45 07 00 7e 01 00 06 6c 6f 67 67 65 72 01 00 1b 4c 6f | .{..P.|..}..6.E..~...logger...Lo |
0100 | 72 67 2f 61 70 61 63 68 65 2f 6c 6f 67 34 6a 2f 43 61 74 65 67 6f 72 79 3b 01 00 09 70 72 65 64 | rg/apache/log4j/Category;...pred |
0120 | 69 63 74 6f 72 01 00 36 4c 6a 6f 65 6c 69 62 32 2f 61 6c 67 6f 2f 63 6f 6e 74 72 69 62 75 74 69 | ictor..6Ljoelib2/algo/contributi |
0140 | 6f 6e 2f 47 72 6f 75 70 43 6f 6e 74 72 69 62 75 74 69 6f 6e 50 72 65 64 69 63 74 6f 72 3b 01 00 | on/GroupContributionPredictor;.. |
0160 | 06 3c 69 6e 69 74 3e 01 00 03 28 29 56 01 00 04 43 6f 64 65 01 00 0e 61 6e 61 6c 79 73 65 44 61 | .<init>...()V...Code...analyseDa |
0180 | 74 61 73 65 74 01 00 48 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 4c 6a 6f 65 6c | taset..H(Ljava/lang/String;Ljoel |
01a0 | 69 62 32 2f 61 6c 67 6f 2f 63 6f 6e 74 72 69 62 75 74 69 6f 6e 2f 42 61 73 69 63 47 72 6f 75 70 | ib2/algo/contribution/BasicGroup |
01c0 | 43 6f 6e 74 72 69 62 75 74 69 6f 6e 73 3b 29 56 01 00 04 6d 61 69 6e 01 00 16 28 5b 4c 6a 61 76 | Contributions;)V...main...([Ljav |
01e0 | 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 29 56 01 00 08 3c 63 6c 69 6e 69 74 3e 0c 00 3d 00 3e | a/lang/String;)V...<clinit>..=.> |
0200 | 01 00 1b 6a 6f 65 6c 69 62 32 2f 73 6d 69 6c 65 73 2f 53 4d 49 4c 45 53 50 61 72 73 65 72 07 00 | ...joelib2/smiles/SMILESParser.. |
0220 | 7f 0c 00 80 00 81 0c 00 82 00 83 0c 00 39 00 3a 01 00 17 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 | .............9.:...java/lang/Str |
0240 | 69 6e 67 42 75 69 6c 64 65 72 01 00 2a 45 78 70 65 72 69 6d 65 6e 74 61 6c 20 76 61 6c 75 65 73 | ingBuilder..*Experimental.values |
0260 | 20 63 61 6e 27 74 20 62 65 20 6c 6f 61 64 65 64 20 66 72 6f 6d 20 22 0c 00 84 00 85 01 00 02 22 | .can't.be.loaded.from."........" |
0280 | 2e 0c 00 86 00 87 07 00 88 0c 00 89 00 8a 07 00 8b 0c 00 8c 00 8d 01 00 1c 6a 61 76 61 2f 69 6f | .........................java/io |
02a0 | 2f 42 79 74 65 41 72 72 61 79 49 6e 70 75 74 53 74 72 65 61 6d 0c 00 3d 00 8e 01 00 16 6a 61 76 | /ByteArrayInputStream..=.....jav |
02c0 | 61 2f 69 6f 2f 42 75 66 66 65 72 65 64 52 65 61 64 65 72 01 00 19 6a 61 76 61 2f 69 6f 2f 49 6e | a/io/BufferedReader...java/io/In |
02e0 | 70 75 74 53 74 72 65 61 6d 52 65 61 64 65 72 0c 00 3d 00 8f 0c 00 3d 00 90 0c 00 91 00 87 01 00 | putStreamReader..=....=......... |
0300 | 19 6a 61 76 61 2f 75 74 69 6c 2f 53 74 72 69 6e 67 54 6f 6b 65 6e 69 7a 65 72 0c 00 3d 00 92 0c | .java/util/StringTokenizer..=... |
0320 | 00 93 00 94 01 00 27 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 42 61 73 69 63 43 6f 6e | ......'joelib2/molecule/BasicCon |
0340 | 66 6f 72 6d 65 72 4d 6f 6c 65 63 75 6c 65 0c 00 95 00 87 0c 00 96 00 97 0c 00 98 00 99 01 00 0c | formerMolecule.................. |
0360 | 50 72 65 64 69 63 74 69 6f 6e 3a 20 0c 00 3b 00 3c 0c 00 9a 00 9b 0c 00 84 00 9c 01 00 0a 20 4f | Prediction:...;.<..............O |
0380 | 72 69 67 69 6e 61 6c 3a 01 00 01 0a 07 00 9d 0c 00 9e 00 92 0c 00 9f 00 3e 01 00 13 6a 61 76 61 | riginal:................>...java |
03a0 | 2f 6c 61 6e 67 2f 45 78 63 65 70 74 69 6f 6e 0c 00 a0 00 3e 01 00 18 50 6f 6c 61 72 20 53 75 72 | /lang/Exception....>...Polar.Sur |
03c0 | 66 61 63 65 20 41 72 65 61 28 50 53 41 29 3a 07 00 a1 0c 00 80 00 a2 01 00 03 50 53 41 0c 00 a3 | face.Area(PSA):...........PSA... |
03e0 | 00 a4 01 00 13 6a 6f 65 6c 69 62 2f 74 65 73 74 2f 70 73 61 2e 74 78 74 0c 00 40 00 41 01 00 18 | .....joelib/test/psa.txt..@.A... |
0400 | 4d 6f 6c 61 72 20 52 65 66 72 61 63 74 69 76 69 74 79 20 28 4d 52 29 3a 01 00 02 4d 52 01 00 17 | Molar.Refractivity.(MR):...MR... |
0420 | 6a 6f 65 6c 69 62 2f 74 65 73 74 2f 6c 6f 67 50 2e 6d 72 2e 74 78 74 01 00 16 48 79 64 72 6f 70 | joelib/test/logP.mr.txt...Hydrop |
0440 | 68 6f 62 69 63 69 74 79 20 28 6c 6f 67 50 29 3a 01 00 04 4c 6f 67 50 01 00 28 6a 6f 65 6c 69 62 | hobicity.(logP):...LogP..(joelib |
0460 | 32 2f 65 78 61 6d 70 6c 65 2f 47 72 6f 75 70 43 6f 6e 74 72 69 62 75 74 69 6f 6e 45 78 61 6d 70 | 2/example/GroupContributionExamp |
0480 | 6c 65 07 00 a5 0c 00 a6 00 87 0c 00 a7 00 a8 01 00 34 6a 6f 65 6c 69 62 32 2f 61 6c 67 6f 2f 63 | le...............4joelib2/algo/c |
04a0 | 6f 6e 74 72 69 62 75 74 69 6f 6e 2f 47 72 6f 75 70 43 6f 6e 74 72 69 62 75 74 69 6f 6e 50 72 65 | ontribution/GroupContributionPre |
04c0 | 64 69 63 74 6f 72 01 00 10 6a 61 76 61 2f 6c 61 6e 67 2f 4f 62 6a 65 63 74 01 00 1f 77 73 69 2f | dictor...java/lang/Object...wsi/ |
04e0 | 72 61 2f 74 6f 6f 6c 2f 42 61 73 69 63 52 65 73 6f 75 72 63 65 4c 6f 61 64 65 72 01 00 08 69 6e | ra/tool/BasicResourceLoader...in |
0500 | 73 74 61 6e 63 65 01 00 23 28 29 4c 77 73 69 2f 72 61 2f 74 6f 6f 6c 2f 42 61 73 69 63 52 65 73 | stance..#()Lwsi/ra/tool/BasicRes |
0520 | 6f 75 72 63 65 4c 6f 61 64 65 72 3b 01 00 1c 67 65 74 42 79 74 65 73 46 72 6f 6d 52 65 73 6f 75 | ourceLoader;...getBytesFromResou |
0540 | 72 63 65 4c 6f 63 61 74 69 6f 6e 01 00 16 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 | rceLocation...(Ljava/lang/String |
0560 | 3b 29 5b 42 01 00 06 61 70 70 65 6e 64 01 00 2d 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 | ;)[B...append..-(Ljava/lang/Stri |
0580 | 6e 67 3b 29 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 42 75 69 6c 64 65 72 3b 01 00 08 | ng;)Ljava/lang/StringBuilder;... |
05a0 | 74 6f 53 74 72 69 6e 67 01 00 14 28 29 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 01 | toString...()Ljava/lang/String;. |
05c0 | 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 72 79 01 00 05 65 72 | ..org/apache/log4j/Category...er |
05e0 | 72 6f 72 01 00 15 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 4f 62 6a 65 63 74 3b 29 56 01 00 10 6a 61 | ror...(Ljava/lang/Object;)V...ja |
0600 | 76 61 2f 6c 61 6e 67 2f 53 79 73 74 65 6d 01 00 04 65 78 69 74 01 00 04 28 49 29 56 01 00 05 28 | va/lang/System...exit...(I)V...( |
0620 | 5b 42 29 56 01 00 18 28 4c 6a 61 76 61 2f 69 6f 2f 49 6e 70 75 74 53 74 72 65 61 6d 3b 29 56 01 | [B)V...(Ljava/io/InputStream;)V. |
0640 | 00 13 28 4c 6a 61 76 61 2f 69 6f 2f 52 65 61 64 65 72 3b 29 56 01 00 08 72 65 61 64 4c 69 6e 65 | ..(Ljava/io/Reader;)V...readLine |
0660 | 01 00 15 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 29 56 01 00 0d 68 61 73 4d 6f | ...(Ljava/lang/String;)V...hasMo |
0680 | 72 65 54 6f 6b 65 6e 73 01 00 03 28 29 5a 01 00 09 6e 65 78 74 54 6f 6b 65 6e 01 00 0f 73 6d 69 | reTokens...()Z...nextToken...smi |
06a0 | 6c 65 73 32 6d 6f 6c 65 63 75 6c 65 01 00 30 28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c | les2molecule..0(Ljoelib2/molecul |
06c0 | 65 2f 4d 6f 6c 65 63 75 6c 65 3b 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 29 5a 01 | e/Molecule;Ljava/lang/String;)Z. |
06e0 | 00 03 6f 75 74 01 00 15 4c 6a 61 76 61 2f 69 6f 2f 50 72 69 6e 74 53 74 72 65 61 6d 3b 01 00 07 | ..out...Ljava/io/PrintStream;... |
0700 | 70 72 65 64 69 63 74 01 00 4c 28 4c 6a 6f 65 6c 69 62 32 2f 61 6c 67 6f 2f 63 6f 6e 74 72 69 62 | predict..L(Ljoelib2/algo/contrib |
0720 | 75 74 69 6f 6e 2f 47 72 6f 75 70 43 6f 6e 74 72 69 62 75 74 69 6f 6e 73 3b 4c 6a 6f 65 6c 69 62 | ution/GroupContributions;Ljoelib |
0740 | 32 2f 6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65 63 75 6c 65 3b 29 44 01 00 1c 28 46 29 4c 6a 61 76 | 2/molecule/Molecule;)D...(F)Ljav |
0760 | 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 42 75 69 6c 64 65 72 3b 01 00 13 6a 61 76 61 2f 69 6f 2f | a/lang/StringBuilder;...java/io/ |
0780 | 50 72 69 6e 74 53 74 72 65 61 6d 01 00 07 70 72 69 6e 74 6c 6e 01 00 05 63 6c 6f 73 65 01 00 0f | PrintStream...println...close... |
07a0 | 70 72 69 6e 74 53 74 61 63 6b 54 72 61 63 65 01 00 29 6a 6f 65 6c 69 62 32 2f 64 61 74 61 2f 42 | printStackTrace..)joelib2/data/B |
07c0 | 61 73 69 63 47 72 6f 75 70 43 6f 6e 74 72 69 62 75 74 69 6f 6e 48 6f 6c 64 65 72 01 00 2d 28 29 | asicGroupContributionHolder..-() |
07e0 | 4c 6a 6f 65 6c 69 62 32 2f 64 61 74 61 2f 42 61 73 69 63 47 72 6f 75 70 43 6f 6e 74 72 69 62 75 | Ljoelib2/data/BasicGroupContribu |
0800 | 74 69 6f 6e 48 6f 6c 64 65 72 3b 01 00 15 67 65 74 47 72 6f 75 70 43 6f 6e 74 72 69 62 75 74 69 | tionHolder;...getGroupContributi |
0820 | 6f 6e 73 01 00 47 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 29 4c 6a 6f 65 6c 69 | ons..G(Ljava/lang/String;)Ljoeli |
0840 | 62 32 2f 61 6c 67 6f 2f 63 6f 6e 74 72 69 62 75 74 69 6f 6e 2f 42 61 73 69 63 47 72 6f 75 70 43 | b2/algo/contribution/BasicGroupC |
0860 | 6f 6e 74 72 69 62 75 74 69 6f 6e 73 3b 01 00 0f 6a 61 76 61 2f 6c 61 6e 67 2f 43 6c 61 73 73 01 | ontributions;...java/lang/Class. |
0880 | 00 07 67 65 74 4e 61 6d 65 01 00 0b 67 65 74 49 6e 73 74 61 6e 63 65 01 00 2f 28 4c 6a 61 76 61 | ..getName...getInstance../(Ljava |
08a0 | 2f 6c 61 6e 67 2f 53 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 | /lang/String;)Lorg/apache/log4j/ |
08c0 | 43 61 74 65 67 6f 72 79 3b 00 21 00 33 00 38 00 00 00 02 00 0a 00 39 00 3a 00 00 00 08 00 3b 00 | Category;.!.3.8.......9.:.....;. |
08e0 | 3c 00 00 00 04 00 01 00 3d 00 3e 00 01 00 3f 00 00 00 11 00 01 00 01 00 00 00 05 2a b7 00 01 b1 | <.......=.>...?............*.... |
0900 | 00 00 00 00 00 09 00 40 00 41 00 01 00 3f 00 00 00 df 00 05 00 09 00 00 00 cb bb 00 02 59 b7 00 | .......@.A...?...............Y.. |
0920 | 03 4d b8 00 04 2a b6 00 05 4e 2d c7 00 25 b2 00 06 bb 00 07 59 b7 00 08 12 09 b6 00 0a 2a b6 00 | .M...*...N-..%......Y........*.. |
0940 | 0a 12 0b b6 00 0a b6 00 0c b6 00 0d 04 b8 00 0e bb 00 0f 59 2d b7 00 10 3a 04 bb 00 11 59 bb 00 | ...................Y-...:....Y.. |
0960 | 12 59 19 04 b7 00 13 b7 00 14 3a 05 19 05 b6 00 15 59 3a 06 c6 00 63 bb 00 16 59 19 06 b7 00 17 | .Y........:......Y:...c...Y..... |
0980 | 3a 07 19 07 b6 00 18 9a 00 06 a7 ff e2 bb 00 19 59 b7 00 1a 3a 08 2c 19 08 19 07 b6 00 1b b6 00 | :...............Y...:.,......... |
09a0 | 1c 57 b2 00 1d bb 00 07 59 b7 00 08 12 1e b6 00 0a b2 00 1f 57 2b 19 08 b8 00 20 90 b6 00 21 12 | .W......Y...........W+........!. |
09c0 | 22 b6 00 0a 19 06 b6 00 0a 12 23 b6 00 0a b6 00 0c b6 00 24 a7 ff 98 19 05 b6 00 25 a7 00 08 4e | ".........#........$.......%...N |
09e0 | 2d b6 00 27 b1 00 01 00 08 00 c2 00 c5 00 26 00 00 00 09 00 42 00 43 00 01 00 3f 00 00 00 54 00 | -..'..........&.....B.C...?...T. |
0a00 | 02 00 02 00 00 00 48 01 4c b2 00 1d 12 28 b6 00 24 b8 00 29 12 2a b6 00 2b 4c 12 2c 2b b8 00 2d | ......H.L....(..$..).*..+L.,+..- |
0a20 | b2 00 1d 12 2e b6 00 24 b8 00 29 12 2f b6 00 2b 4c 12 30 2b b8 00 2d b2 00 1d 12 31 b6 00 24 b8 | .......$..)./..+L.0+..-....1..$. |
0a40 | 00 29 12 32 b6 00 2b 4c 12 30 2b b8 00 2d b1 00 00 00 00 00 08 00 44 00 3e 00 01 00 3f 00 00 00 | .).2..+L.0+..-........D.>...?... |
0a60 | 23 00 02 00 00 00 00 00 17 13 00 33 b6 00 34 b8 00 35 b3 00 06 bb 00 36 59 b7 00 37 b3 00 1f b1 | #..........3..4..5.....6Y..7.... |
0a80 | 00 00 00 00 00 00 | ...... |