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Recipe: Rav3n_pl GAB BiS Flu

created by Rav3n_pl

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Name
Rav3n_pl GAB BiS Flu
ID
41034
Shared with
Public
Parent
None
Children
Created on
April 25, 2012 at 22:21 PM UTC
Updated on
April 25, 2012 at 22:21 PM UTC
Description

GAB banding to space all mutable segments by 1st sidechain atom. After pull it mutates once then stabilize.

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Code


--[[ Bands! Bands in space! GAB - Genetic Algorythm on Bands by Rav3n_pl based on CartoonVillan and Crashguard303 scripts Lua V2 Definitions: band: random band to space from random segment critter: set of bands herd: set of critters 1. - randomize needed bands - randomly assignig them to criters 2. - score each critter 3. - keep critters scoring above score - breed best critters - breed bastards (best one + random one) - forget about rest of critter - randomize new critters to fill herd ]]-- -- options: energy=false --set true to seek energy in exploration puzzles; false works on all puzzles pullCI=0.9 --Clash Impotrance during pull maxCI=1 --maximum CI used by script fastQstab=true -- only 1s1w after pull if true fuzeThresh = 1 -- run fuze if we are close to best score (negative=new best score) qstabThresh=1 -- run qstab if score drops more than... wiggle only in other case onlyMutable=true --if true use ONLY all mutable aas, no matter of always use mutateOnce=true --if true use mutate(1) instead of shake in qstab mutateAlwas=false --if true use muatate(1) instead of all shakes herd= --herd options { breedBest = 5, --breed best 4 critters - all combinations => 6 kids form 4 critters, 3 form 3, 1 form 2, 9 form 5 ;] keepBest = 3, --save up to 3 best scoring critters, rest are forgotten breedBastards = 8, --number of best will have one random bastard newRandom = 10, --adding new random ones each generation maxGen= 100, --maximum generations shuffle = true, --set true to run critters in random order renew=4, --create totally fresh herd after that many gens w/o improvement } critter= --critter options { minBands=3, --minimum bands maxBands=7, --maximum bands keepScore = 0 , --survive to next gen only if score higher than breedScore=-20, --will breed kids only if score higher. Basttards always breed maxLoss=0, --maximum loss by critter. set 0 to disable } bands= --bands options { minStr=0.3, --minimum band str maxStr=1.1, --maximum band str minChng = 3, -- minimum change of band len accordig to current distance maxUp = 16.1, -- maximum chnage up (push) maxDn = 6.9, -- maximum change down (pull) NOT USED minSkip = 10, --minimum segment distance NOT USED minDist = 6, --minimum spatial distance NOT USED minLen = 2, --minimum lenght of created band NOT USED } DoNotUse={--just comment lines below or add more areas to avoid --{segCnt,segCnt}, --ligand cant be used --{120,134}, --{1,10}, } AlwaysUse={ --areas should be always used --{segCnt,segCnt},--ligand need to be at one end --{308,311}, --loopy --{272,319}, --loopy } UseSegments= --use ONLY this segments { --2,3,4,5 } -- bands by secondary structure use= { Sheet=true, --set false to not band sheets Helix=true, --set false to not band helices Loop=true, --set false to not band loops } checkBoth=false --check both ends to above, if false only one end need to be true --end of options segCnt=structure.GetCount() p=print function CI(c) if c>maxCI then c=maxCI end behavior.SetClashImportance(c) end math.randomseed(recipe.GetRandomSeed()) function round(x)--cut all afer 3-rd place return x-x%0.001 end function down(x) return x-x%1 end function Score()--return score, exploration too if energy==true then return current.GetEnergyScore() else return current.GetScore() end end function Wiggle(how, iters, minppi) if how==nil then how="wa" end if iters==nil then iters=6 end if minppi==nil then minppi=0.1 end if iters>0 then iters=iters-1 sp=Score() if how == "s" then if mutateAlwas==true then structure.MutateSidechainsSelected(1) else structure.ShakeSidechainsSelected(1) end elseif how == "wb" then structure.WiggleAll(2, true,false) elseif how == "ws" then structure.WiggleAll(2, false,true) elseif how == "wa" then structure.WiggleAll(2, true,true) end ep = Score() ig=ep-sp if how~="s" then if ig > minppi then return Wiggle(how, iters, minppi) end --tail call end end end function SaveBest() local g=Score()-bestScore if g>0 then if g>0.01 then p("Gained another "..round(g).." pts.") end bestScore=Score() save.Quicksave(3) end end function SaveRB() save.Quicksave(4) recentbest.Restore() SaveBest() save.Quickload(4) end function Qstab() selection.SelectAll() CI(0.1) if mutateOnce==true then structure.MutateSidechainsSelected(1) else Wiggle("s",1) end if fastQstab==false then CI(0.4) Wiggle("wa",1) CI(1) Wiggle("s",1) end CI(1) Wiggle() end function FuzeEnd() CI(1) Wiggle("wa",1) Wiggle("s",1) Wiggle() srb() end function Fuze1(ci1,ci2) CI(ci1) Wiggle("s",1) CI(ci2) Wiggle("wa",1) end function Fuze2(ci1,ci2) CI(ci1) Wiggle("wa",1) CI(1) Wiggle("wa",1) CI(ci2) Wiggle("wa",1) end function srb() recentbest.Restore() SaveBest() end function Fuze() p("Fuzing...") local scr=Score() selection.SelectAll() recentbest.Save() Fuze1(0.3,0.6) FuzeEnd() Fuze2(0.3,1) srb() Fuze1(0.05,1) srb() Fuze2(0.7,0.5) FuzeEnd() Fuze1(0.07,1) srb() end function random(n1,n2) --random function returns int or float depends on input vars if n2==nil and n1==nil then return math.random() --float else if n2==nil then if n1%1==0 then return math.random(n1) --integer else return math.random()*n1 --float end else if n1%1==0 and n2%1==0 then return math.random(n1,n2) --integer between else return math.random()*(n2-n1)+n1 --float between end end end end function FillHerd() --fill up herd local n=#critters if n>0 then --fill up n=herd.newRandom else --fresh herd n=herd.breedBest + herd.keepBest + herd.breedBastards end p("Randomizing "..n.." new critters...") for i=1,n do AddCritter() end end function AddCritter() --vreate new random critter local c={} critterID=critterID+1 c.no=critterID c.name=c.no..'-rnd' c.bands={} local r=random(critter.minBands, critter.maxBands) for i=1,r do c.bands[#c.bands+1]=AddBand() end critters[#critters+1]=c p(c.name.." bands: "..#c.bands) end function AddBand() --create one random band local cnt=0 local b={} while true do --try till die cnt=cnt+1 local s1=random(segCnt) if onlyMutable==true or #UseSegments>0 then s1=UseSegments[random(#UseSegments)] end --local s2=random(segCnt) --if s1>s2 then s1,s2=s2,s1 end --swap if #UseSegments>0 or CanBeUsed(s1) then local str=random(bands.minStr,bands.maxStr) local len=random(bands.minChng,bands.maxUp) local theta = math.acos(math.random()) local phi = 2 * math.pi * math.random() local segmentXAxis=0 local segmentYAxis=0 while true do --all 3 must be different segmentXAxis = random(segCnt) segmentYAxis = random(segCnt) if segmentXAxis~=s1 and segmentYAxis~=s1 and segmentXAxis~=segmentYAxis then break end end --{segmentOrigin, segmentXAxis, segmentYAxis, rho, theta, phi} b={s1, segmentXAxis, segmentYAxis, len, theta, phi, str} break end if cnt>100 then p("Sorry! Cant create band! Breaking script!") BreakScript() --there is no such function, so it crashes script end end return b end function CanBeUsed(sg1) --checking end of bands function ssCheck(ss) local good=false if use.Sheet and ss=="E" then good=true end if use.Helix and ss=="H" then good=true end if use.Loop and ss=="L" then good=true end return good end local ok=true if #DoNotUse>0 then --none of 2 can be in that area for i=1, #DoNotUse do local r=DoNotUse[i] for x=r[1],r[2] do if x==sg1 then ok=false break end end if ok==false then break end end end if ok==false then return false --if false can`t be used else ok=false if #AlwaysUse>0 then --at least one have to be there for i=1, #AlwaysUse do local r=AlwaysUse[i] for x=r[1],r[2] do if x==sg1 then ok=true break end end if ok==true then break end end else ok=true end end if ok==true then --check structure ok=false if ssCheck(structure.GetSecondaryStructure(sg1)) then ok=true end end return ok end function ScoreHerd() --score all critters from herd save.Quickload(3) p("Scoring "..#critters.." critters...") save.Quicksave(5) local herdScore=Score() for i=1,#critters do band.DeleteAll() local crt=critters[i] --critter local s=Score() --start score local bnds=crt.bands for b=1,#bnds do local bnd=bnds[b] -- b={s1, segmentXAxis, segmentYAxis, len, theta, phi, str} --band.Add(segmentOrigin, segmentXAxis, segmentYAxis, rho, theta, phi) local atom=5 local sn=bnd[1] if sn==segCnt then atom=6 end --bug in last segment if structure.GetAminoAcid(sn)=='g' then atom=0 end --glycyne band.Add(sn,bnd[2],bnd[3],bnd[4],bnd[5],bnd[6],atom) local bc=band.GetCount() band.SetStrength(bc,bnd[7]) end selection.SelectAll() CI(pullCI) recentbest.Save() Wiggle("wb",1) band.DeleteAll() CI(1) if s-Score() > qstabThresh then Qstab() else Wiggle() end if Score()-bestScore>fuzeThresh then SaveRB() Fuze() else SaveRB() end crt.score=Score()-s p("Critter "..crt.name.." : "..round(crt.score)) if critter.maxLoss>0 then if Score()>herdScore-critter.maxLoss then save.Quicksave(5) herdScore=Score() else save.Quickload(5) end else save.Quickload(3) end end save.Quickload(3) if band.GetCount()>0 then --clean bands from best solition (if any) band.DeleteAll() save.Quicksave(3) end end function BreedCritters(mom,dad,t) --breed 2 critters. bands are taken randomly local kid={} critterID=critterID+1 kid.no=critterID kid.name=kid.no.."-"..t..mom.no..'/'..dad.no kid.bands={} local mb=#mom.bands local db=#dad.bands if mb>db then mb,db=db,mb end --kid have bands count between mom and dad bands local bn=random(mb,db) for i=1,bn,2 do kid.bands[#kid.bands+1]=mom.bands[random(#mom.bands)] kid.bands[#kid.bands+1]=dad.bands[random(#dad.bands)] end p(kid.name.." bands: "..#kid.bands) return kid end function KeepGood() --copy best scoring critters form last gen if score above local newHerd={} for i=1,herd.keepBest do if critters[i].score>critter.keepScore then newHerd[#newHerd+1]=critters[i] end end return newHerd end function SortCritters() --bubble sort for i=1,#critters do for j=i+1,#critters do if critters[i].score<critters[j].score then critters[i],critters[j]=critters[j],critters[i] --love lua :) end end end end function BreedHerd() p("Breeding...") SortCritters() newHerd=KeepGood() for i=1, herd.breedBest do local mom=critters[i] if mom.score>critter.breedScore or i<2 then --breed only good ones, 1st is always breed anyway for j=i+1, herd.breedBest do local dad=critters[j] newHerd[#newHerd+1]=BreedCritters(mom,dad,"kid-") newHerd[#newHerd+1]=BreedCritters(dad,mom,"kid-") end end end for i=1, herd.breedBastards do --they will always appear ;] local mom=critters[i] local j=random(herd.breedBastards+1,#critters) local dad=critters[j] newHerd[#newHerd+1]=BreedCritters(mom,dad,"bas-") newHerd[#newHerd+1]=BreedCritters(dad,mom,"bas-") end critters=newHerd FillHerd() end function ShuffleHerd() if herd.shuffle==true then for i=1,#critters do local r=random(#critters) if r~=i then critters[i],critters[r]=critters[r],critters[i] end end end end function GAB() if onlyMutable==true then for i=1,segCnt do if structure.IsMutable(i) then UseSegments[#UseSegments+1]=i end end end bestScore=Score() critterID=0 gen=0 ss=Score() save.Quicksave(3) recentbest.Save() p("Rav3n_pl Bands! Bands in space! GAB BiS") p("Start score: "..round(ss)) critters={} FillHerd() badGen=0 while true do --this is (almost) endless script ;] genScore=Score() gen=gen+1 p() p("Generation: "..gen..", score: "..round(Score())..", gain: "..round(Score()-ss)) ShuffleHerd() ScoreHerd() save.Quickload(3) if gen==herd.maxGen then break end --end of script if genScore<=Score() then badGen=badGen+1 else badGen=0 end if badGen>=herd.renew then p("Creating fresh random herd...") critters={} FillHerd() badGen=0 else BreedHerd() end end p("Final score: "..round(Score()).." Total gain: "..round(Score()-ss)) end -- main call GAB() --end of script

Comments


Rav3n_pl Lv 1

It is very configurable, all options are in front of script.
Because of that i NOT make dialog boxes… to many of them!
By default is detecting mutable segments and make bands only to that segments.
It makes one mutation after pull. You can disable this feature or always use mutate instead of shake.
Feel free to comment or PM me if it is not working like it should.
I made it specially for FLU puzzles where we have mutable part flying around.

Rav3n_pl Lv 1

This version is NOT a loss one.
This means in good scoring puzzle it might not find much.
In options change
maxLoss=0,
to
maxLoss=30,
This way script will allow loss of points between critters and break form minima.