utility.py

# Note: The complex numbers are represented as (real + imaginary * 1j) in Python.
# Note: The keys in the dictionary are the amino acid single-letter codes.
# Note: The values are complex numbers representing the coordinates in 2D space.

# The dictionary is structured as:
# {
#     'MDS': {
#         'SMS': { ... },
#         'ASMP': { ... },
#         'SNN': { ... }
#     },
#     't-SNE': {
#         'SMS': { ... },
#         'ASMP': { ... },
#         'SNN': { ... }
#     },
#     'UMAP': {
#         'SMS': { ... },
#         'ASMP': { ... },
#         'SNN': { ... }
#     }
# }


aa_to_complex = {
    'MDS': {
        'SMS': {'A': (0.5963969946563614+0.7887034032696216j), 'B': (0.023278717873354983+0.3912786316255015j), 'C': (0.7303676568069268+0.993951181482838j), 'D': 0.5928349995043273j, 'E': (0.13986749147276195+0.5812686398720137j), 'F': (0.9548858889740361+0.2922744545954918j), 'G': (0.23686538519282294+0.028447613436815636j), 'H': (0.5275659773914853+0.07323928666238416j), 'I': (1+0.5827914191985719j), 'K': (0.36977246783430473+0.5682397115164703j), 'L': (0.9585482062369453+0.6792241075785604j), 'M': (0.8015951702563047+0.5114452386638378j), 'N': (0.13722606874055696+0.24562944084184812j), 'P': (0.21239496927733628+0.9566244584394301j), 'Q': (0.43152091368760137+0.37644489084703625j), 'R': (0.40555120043413806+0.18046662704072053j), 'S': (0.3035493406033467+0.7714906206031654j), 'T': (0.4697981750634173+0.9020865903035825j), 'V': (0.8474215579189891+0.7911561040560405j), 'W': (0.8481574596881327+0.06140372762476813j), 'Y': (0.7943389997635926+0.20036104804279561j), 'Z': (0.22669375577203552+0.4464342024475987j)},
        'ASMP': {'A': (0.47301727329604+0.7232536733082316j), 'B': (0.8538094956668423+0.5697059160384558j), 'C': (0.11828499793341991+1j), 'D': (0.9747755230028201+0.5499076221718956j), 'E': (0.8199014520800844+0.43284167492105957j), 'F': (0.1606248385548573+0.3406523494456186j), 'G': (0.6757813367907463+0.9784576691706325j), 'H': (0.7655475910683724+0.1006221953193782j), 'I': (0.22845927297235719+0.651919464341051j), 'K': (0.6434182427720703+0.45469533326941014j), 'L': (0.2227242052954308+0.5739188104178984j), 'M': (0.3110071300912875+0.5104547567892527j), 'N': (0.885539733325962+0.6498448427150636j), 'P': (0.882696763865174+0.9408035208616283j), 'Q': (0.7096238831354776+0.39104919843056674j), 'R': (0.6417589349110779+0.29915271002578964j), 'S': (0.6306863593294083+0.6716984414123757j), 'T': (0.5269649336844214+0.7836565106841363j), 'V': (0.2944342578286395+0.6813887581916396j), 'W': (0.06376658936235352+0j), 'Y': (0.3176178122104376+0.1755879467197631j), 'Z': (0.7492495377328181+0.4700787706762518j)},
        'SNN': {'A': (0.6070013483419148+0.7105561940993422j), 'B': (0.05281618509760139+0.2935981219468507j), 'C': (0.7108873039733269+0.9980387542356646j), 'D': 0.5889562243810813j, 'E': (0.14790609472676594+0.5549198536305598j), 'F': (0.9556958988840516+0.28947224488810536j), 'G': (0.23908168734266255+0.03143893376565949j), 'H': (0.5280892431774733+0.0772320287166301j), 'I': (1+0.5969874880122132j), 'K': (0.3179213643299769+0.6367930140884852j), 'L': (0.9545376353950267+0.695902415209025j), 'M': (0.8209892056381914+0.5021705456325887j), 'N': (0.09019716634269385+0.3574627075727517j), 'P': (0.26861310251058046+0.9839707020741526j), 'Q': (0.43650513619148373+0.3872494927931034j), 'R': (0.4034626895168922+0.177603522855457j), 'S': (0.24872727124604468+0.7877627054566652j), 'T': (0.4952539256900146+0.8727537704275291j), 'V': (0.8388730162829091+0.8060292624652147j), 'W': (0.8425333336930424+0.05825499512611484j), 'Y': (0.7947532983628148+0.20067198001384606j), 'Z': (0.2702598809092831+0.41627983026158955j)}
    },
    't-SNE': {
        'SMS': {'A': (0.485799640417099+0.7486332058906555j), 'B': (0.9403198957443237+0.7456454038619995j), 'C': (0.32721155881881714+0.7425177097320557j), 'D': (1+0.6499847769737244j), 'E': (0.8900637030601501+0.49105581641197205j), 'F': (0.17891785502433777+0.32605844736099243j), 'G': (0.7503272294998169+0.9537262320518494j), 'H': (0.43555980920791626+0.2605524957180023j), 'I': (0.013991281390190125+0.7074286937713623j), 'K': (0.7446691989898682+0.3292286992073059j), 'L': (0.10338939726352692+0.5940197706222534j), 'M': 0.5344303846359253j, 'N': (0.8173602819442749+0.7829976081848145j), 'P': (0.6705116033554077+0.5525543689727783j), 'Q': (0.9248765707015991+0.3118356168270111j), 'R': (0.7516248822212219+0.21283327043056488j), 'S': (0.6016991138458252+0.8175673484802246j), 'T': (0.5151237845420837+0.9158469438552856j), 'V': (0.10503611713647842+0.7731270790100098j), 'W': (0.17375344038009644+0.16740690171718597j), 'Y': (0.2792688012123108+0.25613927841186523j), 'Z': (0.9789982438087463+0.4241507351398468j)},
        'ASMP': {'A': (0.6942100524902344+0.350283145904541j), 'B': (0.3506680428981781+0.15193358063697815j), 'C': (0.9274507761001587+0.3430485725402832j), 'D': (0.26344648003578186+0.05922302231192589j), 'E': (0.15571235120296478+0.2246246635913849j), 'F': (0.6834176778793335+0.8220071792602539j), 'G': (0.5093654990196228+0.37176740169525146j), 'H': (0.3714062571525574+0.7201546430587769j), 'I': (0.7955862879753113+0.6355174779891968j), 'K': (0.053145747631788254+0.3901710510253906j), 'L': (0.8908524513244629+0.7235519289970398j), 'M': (0.984610915184021+0.6366481184959412j), 'N': (0.4686741828918457+0.10334687680006027j), 'P': 0.032778672873973846j, 'Q': (0.23846645653247833+0.4264014959335327j), 'R': (0.07972250878810883+0.5142669677734375j), 'S': (0.6145269274711609+0.24667122960090637j), 'T': (0.7329680323600769+0.17303454875946045j), 'V': (0.8527016639709473+0.5303714871406555j), 'W': (0.6157309412956238+1j), 'Y': (0.5650039315223694+0.8358333706855774j), 'Z': (0.2437901347875595+0.30352529883384705j)},
        'SNN': {'A': (0.2535807192325592+0.3825916051864624j), 'B': (0.6626864671707153+0.3323230743408203j), 'C': (0.10039473325014114+0.42803090810775757j), 'D': (0.6590416431427002+0.21817611157894135j), 'E': (0.836707592010498+0.1532229781150818j), 'F': (0.5360744595527649+0.9551598429679871j), 'G': (0.41485992074012756+0.4774538576602936j), 'H': (0.6812202334403992+0.7163898348808289j), 'I': 0.74553382396698j, 'K': (0.8997842073440552+0.44799044728279114j), 'L': (0.07281974703073502+0.8626213073730469j), 'M': (0.18018728494644165+0.8110633492469788j), 'N': (0.5899527072906494+0.4310174286365509j), 'P': (0.5851523280143738+0.014108615927398205j), 'Q': (0.9882724285125732+0.2754591703414917j), 'R': (1+0.4984505772590637j), 'S': (0.3685898184776306+0.3088078498840332j), 'T': (0.3195444941520691+0.19602619111537933j), 'V': (0.0734441876411438+0.6619610786437988j), 'W': (0.4486497640609741+0.8410900235176086j), 'Y': (0.5832085013389587+0.8435974717140198j), 'Z': (0.8689802289009094+0.2563400864601135j)}
    },
    'UMAP': {
        'SMS': {'A': (0.3504575192928314+0.6697525382041931j), 'B': (0.1084398701786995+0.5001108050346375j), 'C': (0.36928215622901917+0.8478522300720215j), 'D': (0.06584984064102173+0.6042460799217224j), 'E': (0.15598879754543304+0.5986658334732056j), 'F': (0.3303658962249756+0.9614831805229187j), 'G': 0.542443037033081j, 'H': (0.0306139774620533+0.7281859517097473j), 'I': (0.42572540044784546+0.7680307626724243j), 'K': (0.2211652547121048+0.538030743598938j), 'L': (0.4469141662120819+0.9206908345222473j), 'M': (0.4828856885433197+0.8437371253967285j), 'N': (0.14106625318527222+0.41622376441955566j), 'P': (0.24250629544258118+0.6457586884498596j), 'Q': (0.3308875560760498+0.5501568913459778j), 'R': (0.2816982567310333+0.44598498940467834j), 'S': (0.1950371414422989+0.7474033236503601j), 'T': (0.30629676580429077+0.7631973624229431j), 'V': (0.5112544298171997+0.7451724410057068j), 'W': (0.23127557337284088+1j), 'Y': (0.24662047624588013+0.907824695110321j), 'Z': (0.12198594957590103+0.7098097205162048j)},
        'ASMP': {'A': (0.22035567462444305+0.35114631056785583j), 'B': (0.7925369143486023+0.3712470829486847j), 'C': (0.14950186014175415+0.5486928820610046j), 'D': (0.8338350653648376+0.21408052742481232j), 'E': (0.6673746705055237+0.2404213696718216j), 'F': (0.27479031682014465+0.8884758949279785j), 'G': (0.3864871859550476+0.2634192109107971j), 'H': (0.7863872647285461+0.721517026424408j), 'I': (0.15694889426231384+0.7479280829429626j), 'K': (0.6538761854171753+0.4066135287284851j), 'L': (0.04075612500309944+0.8496887683868408j), 'M': 0.6990579962730408j, 'N': (0.8922481536865234+0.5032361745834351j), 'P': (0.5145976543426514+0.11037714034318924j), 'Q': (0.9832422733306885+0.2828090488910675j), 'R': (0.6850564479827881+0.5725343227386475j), 'S': (0.42373162508010864+0.41722023487091064j), 'T': (0.38602906465530396+0.5757718086242676j), 'V': (0.29940158128738403+0.6876149773597717j), 'W': (0.36799097061157227+1j), 'Y': (0.5132419466972351+0.9157492518424988j), 'Z': (0.7745872735977173+0.03521249443292618j)},
        'SNN': {'A': (0.9172156453132629+0.08016979694366455j), 'B': (0.8734950423240662+0.16300848126411438j), 'C': (0.9521510004997253+0.0572647824883461j), 'D': (0.9050402641296387+0.1753516048192978j), 'E': (0.8340052366256714+0.11375625431537628j), 'F': (0.9960073828697205+0.04973473399877548j), 'G': (0.9226422309875488+0.14043229818344116j), 'H': (0.9516047239303589+0.13639213144779205j), 'I': (0.950306236743927+0.0015975770074874163j), 'K': (0.8792563080787659+0.1390288919210434j), 'L': (0.9706700444221497+0.02362937107682228j), 'M': (0.9160729646682739+0j), 'N': (0.8390617966651917+0.1654801368713379j), 'P': (0.8919561505317688+0.11094498634338379j), 'Q': (0.8523280024528503+0.12643150985240936j), 'R': (0.8647434115409851+0.1914357841014862j), 'S': (0.8720415830612183+0.08489006757736206j), 'T': (0.8843554854393005+0.04748966917395592j), 'V': (0.9302605986595154+0.02990058809518814j), 'W': (1+0.08503391593694687j), 'Y': (0.9748740196228027+0.08546281605958939j), 'Z': (0.8290417194366455+0.08084337413311005j)}
    }
}