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path: root/java/joelib2/math/symmetry/Symmetry.class
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15e0 01 00 13 4c 6f 6f 6b 69 6e 67 20 66 6f 72 20 43 32 20 61 78 65 73 0c 02 23 01 ea 01 00 17 4c 6f ...Looking.for.C2.axes..#.....Lo
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1700 70 6f 69 6e 74 20 67 72 6f 75 70 20 49 20 6b 6e 6f 77 20 6f 66 2e 20 53 6f 72 72 79 2e 01 00 3c point.group.I.know.of..Sorry...<
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1ba0 20 4d 69 6e 69 6d 75 6d 20 61 6c 6c 6f 77 65 64 20 63 68 61 6e 67 65 20 69 6e 20 74 61 72 67 65 .Minimum.allowed.change.in.targe
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1c20 01 00 36 0a 20 4e 6f 74 65 20 74 68 61 74 20 6f 6e 6c 79 20 70 72 69 6d 69 74 69 76 65 20 72 6f ..6..Note.that.only.primitive.ro
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1ca0 01 e9 02 11 01 00 16 3c 6e 6f 20 73 79 6d 6d 65 74 72 79 20 65 6c 65 6d 65 6e 74 73 3e 01 00 04 .......<no.symmetry.elements>...
1cc0 28 69 29 20 01 00 07 28 43 69 6e 66 29 20 0c 03 f3 04 0e 01 00 08 2a 28 43 69 6e 66 29 20 01 00 (i)....(Cinf).........*(Cinf)...
1ce0 02 28 43 01 00 02 29 20 01 00 03 2a 28 43 01 00 02 28 53 01 00 03 2a 28 53 01 00 08 28 73 69 67 .(C...)....*(C...(S...*(S...(sig
1d00 6d 61 29 20 01 00 09 2a 28 73 69 67 6d 61 29 20 0c 04 0f 01 b1 0c 04 10 01 c9 0c 04 11 01 ba 07 ma)....*(sigma).................
1d20 04 12 0c 04 13 02 48 0c 04 14 02 48 0c 04 15 01 c9 01 00 1c 6a 6f 65 6c 69 62 32 2f 73 6f 72 74 ......H....H........joelib2/sort
1d40 2f 51 75 69 63 6b 49 6e 73 65 72 74 53 6f 72 74 01 00 27 6a 6f 65 6c 69 62 32 2f 6d 61 74 68 2f /QuickInsertSort..'joelib2/math/
1d60 73 79 6d 6d 65 74 72 79 2f 53 79 6d 41 78 65 73 43 6f 6d 70 61 72 61 74 6f 72 0c 04 16 04 17 01 symmetry/SymAxesComparator......
1d80 00 27 6a 6f 65 6c 69 62 32 2f 6d 61 74 68 2f 73 79 6d 6d 65 74 72 79 2f 53 79 6d 6d 65 74 72 79 .'joelib2/math/symmetry/Symmetry
1da0 45 78 63 65 70 74 69 6f 6e 01 00 1f 4f 75 74 20 6f 66 20 6d 65 6d 6f 72 79 20 69 6e 20 66 69 6e Exception...Out.of.memory.in.fin
1dc0 64 5f 63 32 5f 61 78 65 73 28 29 0c 01 e9 03 e8 01 00 25 6a 6f 65 6c 69 62 32 2f 6d 61 74 68 2f d_c2_axes().......%joelib2/math/
1de0 73 79 6d 6d 65 74 72 79 2f 53 79 6d 6d 65 74 72 79 45 6c 65 6d 65 6e 74 0c 04 18 02 48 0c 02 47 symmetry/SymmetryElement....H..G
1e00 02 48 0c 04 19 02 48 0c 02 3c 02 3d 0c 04 1a 04 1b 01 00 1d 4f 75 74 20 6f 66 20 6d 65 6d 6f 72 .H....H..<.=........Out.of.memor
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1e40 04 1f 04 20 01 00 17 6a 61 76 61 2f 69 6f 2f 46 69 6c 65 49 6e 70 75 74 53 74 72 65 61 6d 07 04 .......java/io/FileInputStream..
1e60 21 0c 04 22 04 23 01 00 1d 6a 61 76 61 2f 69 6f 2f 46 69 6c 65 4e 6f 74 46 6f 75 6e 64 45 78 63 !..".#...java/io/FileNotFoundExc
1e80 65 70 74 69 6f 6e 01 00 19 43 61 6e 20 6e 6f 74 20 66 69 6e 64 20 69 6e 70 75 74 20 66 69 6c 65 eption...Can.not.find.input.file
1ea0 3a 20 01 00 13 6a 61 76 61 2f 6c 61 6e 67 2f 45 78 63 65 70 74 69 6f 6e 0c 04 24 01 ea 07 04 25 :....java/lang/Exception..$....%
1ec0 0c 04 26 01 f4 07 04 27 0c 04 28 02 03 01 00 11 20 69 73 20 6e 6f 74 20 72 65 61 64 61 62 6c 65 ..&....'..(......is.not.readable
1ee0 2e 01 00 20 59 6f 75 27 72 65 20 69 6e 76 69 74 65 64 20 74 6f 20 77 72 69 74 65 20 6f 6e 65 20 ....You're.invited.to.write.one.
1f00 21 3b 2d 29 01 00 27 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 42 61 73 69 63 43 6f 6e !;-)..'joelib2/molecule/BasicCon
1f20 66 6f 72 6d 65 72 4d 6f 6c 65 63 75 6c 65 0c 01 e9 04 29 0c 02 2c 01 f4 0c 04 2a 02 0b 01 00 13 formerMolecule....)..,....*.....
1f40 6a 61 76 61 2f 69 6f 2f 49 4f 45 78 63 65 70 74 69 6f 6e 01 00 1e 6a 6f 65 6c 69 62 32 2f 69 6f java/io/IOException...joelib2/io
1f60 2f 4d 6f 6c 65 63 75 6c 65 49 4f 45 78 63 65 70 74 69 6f 6e 01 00 16 4d 6f 6c 65 63 75 6c 65 20 /MoleculeIOException...Molecule.
1f80 77 61 73 20 73 6b 69 70 70 65 64 3a 20 0c 04 2b 02 03 0c 04 2c 03 fd 0c 02 0a 02 0b 01 00 24 45 was.skipped:...+....,.........$E
1fa0 72 72 6f 72 20 72 65 61 64 69 6e 67 20 69 6e 20 61 74 6f 6d 69 63 20 63 6f 6f 72 64 69 6e 61 74 rror.reading.in.atomic.coordinat
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1fe0 6d 6d 65 74 72 79 20 65 6c 65 6d 65 6e 74 73 20 77 61 73 20 74 65 72 6d 69 6e 61 74 65 64 20 62 mmetry.elements.was.terminated.b
2000 65 66 6f 72 65 20 63 6f 6e 76 65 72 67 65 6e 63 65 20 77 61 73 20 72 65 61 63 68 65 64 2e 0a 53 efore.convergence.was.reached..S
2020 6f 6d 65 20 73 79 6d 6d 65 74 72 79 20 65 6c 65 6d 65 6e 74 73 20 6d 61 79 20 72 65 6d 61 69 6e ome.symmetry.elements.may.remain
2040 20 75 6e 69 64 65 6e 74 69 66 69 65 64 2e 0a 0c 02 0c 01 ea 01 00 2e 4d 6f 6c 65 63 75 6c 65 20 .unidentified..........Molecule.
2060 68 61 73 20 74 68 65 20 66 6f 6c 6c 6f 77 69 6e 67 20 73 79 6d 6d 65 74 72 79 20 65 6c 65 6d 65 has.the.following.symmetry.eleme
2080 6e 74 73 3a 0a 0c 02 07 02 08 01 00 0d 2d 6d 69 6e 63 68 67 63 79 63 6c 65 73 07 04 2d 0c 04 2e nts:.........-minchgcycles..-...
20a0 04 2f 0c 02 15 02 11 01 00 0a 2d 6d 69 6e 63 68 61 6e 67 65 07 04 30 0c 04 31 04 32 0c 02 16 02 ./........-minchange..0..1.2....
20c0 0f 01 00 05 2d 73 61 6d 65 0c 02 19 02 0f 01 00 08 2d 70 72 69 6d 61 72 79 0c 02 18 02 0f 01 00 ....-same........-primary.......
20e0 06 2d 66 69 6e 61 6c 0c 02 17 02 0f 01 00 0b 2d 6d 61 78 6f 70 74 73 74 65 70 0c 02 13 02 0f 01 .-final........-maxoptstep......
2100 00 0b 2d 6d 69 6e 6f 70 74 73 74 65 70 0c 02 14 02 0f 01 00 09 2d 67 72 61 64 73 74 65 70 0c 02 ..-minoptstep........-gradstep..
2120 0e 02 0f 01 00 0d 2d 6d 61 78 6f 70 74 63 79 63 6c 65 73 0c 02 12 02 11 01 00 0d 2d 6d 61 78 61 ......-maxoptcycles........-maxa
2140 78 69 73 6f 72 64 65 72 0c 02 10 02 11 01 00 19 55 6e 72 65 63 6f 67 6e 69 7a 65 64 20 6f 70 74 xisorder........Unrecognized.opt
2160 69 6f 6e 20 22 25 73 22 0a 01 00 28 6a 6f 65 6c 69 62 32 2f 6d 61 74 68 2f 73 79 6d 6d 65 74 72 ion."%s"...(joelib2/math/symmetr
2180 79 2f 54 72 61 6e 73 66 6f 72 6d 61 74 69 6f 6e 41 74 6f 6d 0c 04 33 01 d0 0c 04 34 04 35 01 00 y/TransformationAtom..3....4.5..
21a0 11 74 72 61 6e 73 66 6f 72 6d 20 6c 6f 6f 70 65 64 20 01 00 1b 20 73 74 65 70 73 20 74 6f 6f 20 .transform.looped.....steps.too.
21c0 65 61 72 6c 79 20 66 72 6f 6d 20 61 74 6f 6d 20 01 00 1c 28 69 6d 70 72 6f 70 65 72 29 20 74 72 early.from.atom....(improper).tr
21e0 61 6e 73 66 6f 72 6d 20 6c 6f 6f 70 65 64 20 01 00 1f 74 72 61 6e 73 66 6f 72 6d 20 66 61 69 6c ansform.looped....transform.fail
2200 65 64 20 74 6f 20 6c 6f 6f 70 20 61 66 74 65 72 20 01 00 11 20 73 74 65 70 73 20 66 72 6f 6d 20 ed.to.loop.after.....steps.from.
2220 61 74 6f 6d 20 0c 04 36 04 37 01 00 1c 64 69 73 74 61 6e 63 65 20 74 6f 20 73 79 6d 6d 65 74 72 atom...6.7...distance.to.symmetr
2240 69 63 20 61 74 6f 6d 20 28 01 00 11 29 20 69 73 20 74 6f 6f 20 62 69 67 20 66 6f 72 20 0c 04 38 ic.atom.(...).is.too.big.for...8
2260 01 b1 0c 02 2c 01 ea 01 00 17 6c 6f 6f 6b 69 6e 67 20 66 6f 72 20 61 20 70 61 69 72 20 66 6f 72 ....,.....looking.for.a.pair.for
2280 20 01 00 16 6e 65 77 20 63 6f 6f 72 64 69 6e 61 74 65 73 20 61 72 65 3a 20 28 01 00 01 2c 01 00 ....new.coordinates.are:.(...,..
22a0 01 29 01 00 0c 64 69 73 74 61 6e 63 65 20 74 6f 20 01 00 04 20 69 73 20 01 00 11 6e 6f 20 70 61 .)...distance.to.....is....no.pa
22c0 69 72 20 66 6f 72 20 61 74 6f 6d 20 01 00 0c 20 2d 20 62 65 73 74 20 77 61 73 20 01 00 0c 20 77 ir.for.atom.....-.best.was.....w
22e0 69 74 68 20 65 72 72 20 3d 20 01 00 05 61 74 6f 6d 20 01 00 18 20 74 72 61 6e 73 66 6f 72 6d 73 ith.err.=....atom.....transforms
2300 20 74 6f 20 74 68 65 20 61 74 6f 6d 20 01 00 08 2c 20 65 72 72 20 3d 20 0c 04 39 01 ba 01 00 11 .to.the.atom....,.err.=...9.....
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5260 31 2a b4 00 02 1d 32 b4 00 6c 15 04 31 67 b7 00 c3 63 39 06 84 04 01 a7 ff d9 18 06 b8 00 c4 39 1*....2..l..1g...c9............9
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54a0 1d 32 b4 00 6b 19 0b b4 00 6b a0 00 81 19 06 1d 33 99 00 06 a7 00 77 03 36 04 0e 39 07 15 04 06 .2..k....k......3.....w.6..9....
54c0 a2 00 27 18 07 2a 19 0b b4 00 6c 15 04 31 2a b4 00 02 1d 32 b4 00 6c 15 04 31 67 b7 00 c3 63 39 ..'..*....l..1*....2..l..1g...c9
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5560 b6 00 63 13 01 1c b6 00 56 18 09 b6 00 88 b6 00 5a b6 00 64 01 3a 06 02 ac 2b b4 01 07 1c 15 05 ..c.....V.......Z..d.:...+......
5580 4f 19 06 15 05 04 54 b2 00 51 b6 00 52 99 00 33 b2 00 51 bb 00 53 59 b7 00 54 13 01 1d b6 00 56 O.....T..Q..R..3..Q..SY..T.....V
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55e0 02 01 eb 00 00 01 9f 00 07 00 0d 00 00 01 93 bb 00 65 59 b7 00 69 3a 06 0e 39 09 2b b4 01 20 07 .................eY..i:..9.+....
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5660 2b b4 00 b1 0e 98 9c 00 2a 2b 2b b4 00 b1 77 b5 00 b1 03 36 05 15 05 06 a2 00 18 2b b4 00 b2 15 +.......*++...w....6.......+....
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7980 1b 32 b4 00 b3 9a 00 0f b2 00 3b 13 01 9d b6 01 9c a7 00 25 b2 00 3b bb 00 53 59 b7 00 54 13 01 .2........;........%..;..SY..T..
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7a00 56 b6 00 5a b6 01 9c b2 00 3b bb 00 53 59 b7 00 54 13 01 9e b6 00 56 2a b4 00 16 03 32 b4 00 b1 V..Z.....;..SY..T.....V*....2...
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7ae0 00 38 b2 00 3b 13 01 9b b6 00 38 03 3c 1b 2a b4 00 0b a2 01 37 2a b4 00 0a 1b 32 c6 01 28 b2 00 .8..;.....8.<.*.....7*....2..(..
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7c80 01 12 b6 00 88 13 01 59 b6 00 56 b6 00 5a b6 01 9c b2 00 3b bb 00 53 59 b7 00 54 13 01 a7 b6 00 .......Y..V..Z.....;..SY..T.....
7ca0 56 2a b4 00 0d 03 32 b4 00 b1 2a b4 00 0d 03 32 b4 00 b2 03 31 6b b6 00 88 13 01 16 b6 00 56 2a V*....2...*....2....1k........V*
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7da0 32 b4 01 12 b6 00 88 13 01 59 b6 00 56 b6 00 5a b6 01 9c b2 00 3b bb 00 53 59 b7 00 54 13 01 a7 2........Y..V..Z.....;..SY..T...
7dc0 b6 00 56 2a b4 00 1d 1b 32 b4 00 b2 03 31 b6 00 88 13 01 16 b6 00 56 2a b4 00 1d 1b 32 b4 00 b2 ..V*....2....1........V*....2...
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7e00 5a b6 01 9c b2 00 3b bb 00 53 59 b7 00 54 12 5e b6 00 56 2a b4 00 1d 1b 32 b4 00 b1 b6 00 88 12 Z.....;..SY..T.^..V*....2.......
7e20 5e b6 00 56 b6 00 5a b6 00 38 84 01 01 a7 ff 44 b1 00 00 00 00 00 02 02 50 02 39 00 01 01 eb 00 ^..V..Z..8.....D........P.9.....
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7e80 2b b6 00 77 b8 01 ac b3 00 51 b1 00 00 00 00 00 00 +..w.....Q.......