Recipe: Datacute Compressor v1.5

created by spdenne

Profile

• Name: Datacute Compressor v1.5
• ID: 103405
• Shared with: Public
• Parent: Datacute Compressor v1.5
• Children:
  • Datacute Compressor v1.5 ci0.2
  • Datacute Compressor v1.5 copy
• Created on: April 14, 2020 at 04:52 AM UTC
• Updated on: April 14, 2020 at 04:52 AM UTC
• Description:

  Lua V2 version of Rav3n_pl's compressor and derivatives, including mutating options. Only bands unlocked segments. Retains existing bands.

Code

--[[
    Datacute Conversion of Rav3n_pl Compressor v2
    trying to compress/decompress protein accepting loss of points between pulls
    Altered by Timo van der Laan to only band to mutatable segments
    Rewritten by Datacute in Lua Version 2, to add options dialogs, and incorporate mutating
    
    Quick Load slots:
    3: best score found so far, or starting location if no gain has been found.
    4: temporary use while saving best, and while fuzing
    5: attempting to record previous best for when repeating last bands gives no gain
    7: second best score found so far
    
]]--

local ver = "v1.5"

normal= (current.GetExplorationMultiplier() == 0)

print("Datacute Compressor "..ver)
print("Very heavily based on various Rav3n_pl Compressors")

CI=behavior.SetClashImportance
segCnt=structure.GetCount()
segCnt2=segCnt
while structure.GetSecondaryStructure(segCnt2)=="M" do segCnt=segCnt-1 end

function Score(pose)
    if pose==nil then pose=current end
    local total= pose.GetEnergyScore()
    -- FIX for big negatives

        if total < -999999 and total > -1000001 then total=SegScore(pose) end

    if normal then
        return total
    else
        if total < 0 then
            return total/pose.GetExplorationMultiplier()
        else
            return total*pose.GetExplorationMultiplier()
        end
    end
end

function SegScore(pose)
    if pose==nil then pose=current end
    local total=8000
    for i=1,segCnt2 do
        total=total+pose.GetSegmentEnergyScore(i)
    end
    return total
end

function round(x)--cut all after 3-rd place
    return x-x%0.001
end

function Wiggle(how, iters, minppi) --score conditioned recursive wiggle/shake
    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
        local sp=Score()
        if how == "s" then structure.ShakeSidechainsAll(1) -- todo select & shake less?
            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)
        end
        if Score()-sp > minppi then return Wiggle(how, iters, minppi) end
    end
end

function AllLoop() --turning entire structure to loops
    local ok=false
    for i=1, segCnt do
        local s=structure.GetSecondaryStructure(i)
        if s~="L" then
            save.SaveSecondaryStructure()
            ok=true
            break
        end
    end
    if ok then
        selection.SelectAll()
        structure.SetSecondaryStructureSelected("L")
    end
end

function qStab()
    CI(0.1)
    Wiggle("s",1)
    selection.SelectAll()
    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()
    SaveBest()
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 reFuze(scr,slot)
    local s=Score()
    if s<scr then 
        save.Quickload(slot)
    else
        scr=s
        save.Quicksave(slot)
    end
    return scr
end
function Fuze(slot)
    local scr=Score()
    save.Quicksave(slot)
    selection.SelectAll()
    Fuze1(0.3,0.6) FuzeEnd()
    scr=reFuze(scr,slot)
    Fuze2(0.3,1) SaveBest()
    scr=reFuze(scr,slot)
    Fuze1(0.05,1) SaveBest()
    scr=reFuze(scr,slot)
    Fuze2(0.7,0.5) FuzeEnd()
    scr=reFuze(scr,slot)
    Fuze1(0.07,1) SaveBest()
    reFuze(scr,slot)
end

bestScore=Score()
function SaveBest()
    local g=Score()-bestScore
    if g>0 then
        print("Gained another "..round(g).." pts.")
        bestScore=Score()
        save.Quicksave(3)
    end
end

function MakeBands(num)
    local done=false
    local s1=math.random(segCnt)
    local s2=math.random(segCnt)

    if s1>s2 then s1,s2=s2,s1 end
    
    local d=structure.GetDistance(s1,s2)
    if s2-s1>=minSkip and d>=minDist and d<=maxDist then done=true end
    
    if (done and #useRegions>0) then
        done=false
        for a=1,#useRegions do 
            local ss=useRegions[a][1]
            local se=useRegions[a][2]
            if (s1>=ss and s1<=se) or (s2>=ss and s2<=se) then
                done=true
                break
            end
        end
    end
    
    local ss1=structure.GetSecondaryStructure(s1)
    local ss2=structure.GetSecondaryStructure(s2)

    if (done and noLoops) then
        if ss1=="L" or ss2=="L" then done=false end
    end

    if (done and bandStructure) then
        if ss1=="L" and ss2=="L" then done=false end
    end

    if (done and S2H) then
        if (ss1=="E" or ss2=="E") and (ss1=="H" or ss2=="H") and (ss1~=ss2) then
            done=true
        else
            done=false
        end
    end

    if done then
        num=num-1
        mkBand(s1,s2)
        bands[#bands+1]={s1,s2}
    end

    if num>0 then return MakeBands(num) end --tail call
end
function mkBand(s1,s2)
    band.AddBetweenSegments(s1,s2)
    local len=structure.GetDistance(s1,s2)
    if decomp==true then
        len=len+compressFrac
    else
        len=len-compressFrac
    end
    if len<3.5 then len=3.5 end
    if len>20 then len=20 end
    band.SetGoalLength(band.GetCount(),len)
end

n_existing_bands=band.GetCount()

bands={}
function Repeat_bands(bands)
    my_band_delete()
    for i=1,#bands do
        local s1=bands[i][1]
        local s2=bands[i][2]
        mkBand(s1,s2)
    end
end
function Bandstr(str) --set all band strengt
    if str<0.1 then str=0.1 end
    if str>10 then str=10 end
    for i=n_existing_bands + 1, band.GetCount() do
        band.SetStrength(i, str)
    end
end

function my_band_delete()
    n_all_bands=band.GetCount()
    if delete_existing_bands==true then
        band.DeleteAll()
        n_existing_bands=0
    else
        --p(n_all_bands,",",n_existing_bands)
        while n_all_bands>n_existing_bands do
            band.Delete(n_all_bands)
            n_all_bands=band.GetCount()
        end
    end
end

function SaveRB(slot)
    save.Quicksave(slot)
    recentbest.Restore()
    SaveBest()
    save.Quickload(slot)
end

sscore=Score() --starting score
function Compressor()
    if mutate then FindMutable() end
    FindUnlocked()

    if n_existing_bands>0 and delete_existing_bands==true then
        band.DeleteAll()
        n_existing_bands=0
    end

    if normal==false then print("Using exploration options") end
    if decomp==true then
        minDist=7 
        maxDist=20-compressFrac
    else
        minDist=10 --minimum spatial distance between banding segments
        maxDist=20+compressFrac --maximum spatial distance between banding segments
    end
    if allLoop then AllLoop() end
    save.Quicksave(3)
    save.Quicksave(7) --save state for losing
    badOnes=0
    recentbest.Save()
    
    local best=false
    for i=1,numTries do
        -- TODO take off 8000, and range limit loss
        loss=Score()*percLoss/100 --pulling till we lost some points
        my_band_delete()
        local repeatingBest=false
        if best==true and repeatGood==true then
            print("Repeating last bands.")
            if modulator==true then --switch
                decomp= not decomp
            end
            Repeat_bands(bands)
            repeatingBest=true
            save.Quicksave(5)
        else
            bands={}
            MakeBands(numBands)
        end
        local ls=Score()
        print("Loop "..i.." of "..numTries.." started. Current score: "..round(ls))
        CI(pullingCI)
        selection.SelectAll()
        recentbest.Save()
        if slowBands then
            -- TODO check lastBands usage
            for str=lastBands,bandStr,0.07 do--search enough band strength to move
                if normal==true then recentbest.Restore() end--because sometimes it makes points during pull :D
                local ss=Score()
                Bandstr(str)
                Wiggle("wb",1)
                if ss-Score()>loss then
                    lastBands=str-0.1
                    break
                end
            end
        else
            Bandstr(bandStr)
            Wiggle("wb",1)
        end
        if mutate then
            structure.MutateSidechainsAll(1)
        end
        SaveRB(4) --because sometimes it missing fractions
        my_band_delete()
        qStab()
        SaveBest()
        if useFuze and Score()> (bestScore-fuzeScore) then
            Fuze(4)
        end
        
        if maxLoss>0 then
            if Score()>bestScore-maxLoss then
                save.Quicksave(7) --save actual "best" solution
            else
                if repeatingBest then
                    save.Quickload(5)
                else
                    badOnes=badOnes+1
                    if badOnes >=reloadBest then
                        badOnes=0
                        save.Quickload(3)
                    else
                        save.Quickload(7) --load "second best"
                    end
                end
            end
        else
            save.Quickload(3)
        end
        local es=Score()
        if es>ls then best=true else best=false end --and es==bestScore --repeating all bands making points
        print("Loop "..i.." gain "..round(es-ls).." ;total gain "..round(bestScore-sscore))
        if modulator==true then --switch
            decomp= not decomp
        end
    
    end
    cleanup()
    print("Total gain: "..round(Score()-sscore))
end

useRegions={  --set regions that have to be used in all bands
--{1,20}
--{25,55}
--{100,210}
}

function FindMutable()
    for i=1,segCnt do
        if structure.IsMutable(i) then
            return
        end
    end
    mutate = false
end

function FindUnlocked()
    local unlocked={}
    print("Finding Unlocked Segments")
    for i=1,segCnt do
        if not structure.IsLocked(i) then
            if mutableRegions then
                if structure.IsMutable(i) then
                    unlocked[#unlocked+1]=i
                end
            else
                unlocked[#unlocked+1]=i
            end
        end
    end
    print(#unlocked.." unlocked found")
    if #unlocked > 0 then
        local inregion=false
        local segfirst=0
        local seglast=0
        for i=1,#unlocked do
            if not inregion then
                segfirst=unlocked[i]
                seglast=unlocked[i]
                inregion=true
            elseif seglast+1==unlocked[i] then seglast=unlocked[i]
            else
                useRegions[#useRegions+1]={segfirst,seglast}
                segfirst=unlocked[i]
                seglast=unlocked[i]
            end
        end
        useRegions[#useRegions+1]={segfirst,seglast}
    end
end

function SetDefaultOptions()
    --brow42's seed method
    seed = (os.time() * 5779) % 10000
    
    numTries=9999

    numBands=8 --how many bands use at once
    minSkip=15 --minimum segment distance between banded segments
    compressFrac=5 --make bands shorter by that much points
    
    fastQstab=true --only 1 shake and 1 wiggle when true

    useFuze=true -- use Fuze after qStab
    fuzeScore=-1 --how close we have to be to run Fuze
            
    allLoop=true --work in all-loop mode. sometimes work better than structure mode :)

    S2H=false --all bands are between sheets and helixes
    bandStructure=false --all bands have at least one end on structure (not loop)
    noLoops=false --band can't have any end on loop
    mutate=true --all bands have at least one end on a mutable segment
    mutableRegions=false --all bands have at least one end on a mutable segment

    lastBands=0.3 --starting band str
    bandStr=1.0 -- max band strength
    slowBands=true --bands strength are raised few times till score drops by %
    percLoss=1 --pulling stops when score drops by that percent (ie 2=200pts when 10k pts)
    repeatGood=false --repeating good bands

    pullingCI=0.67 --clash importance during pull
    maxLoss=30 --maximum acceptable LOSS after  pull/stabilize
    reloadBest=5 --reload best solution after that many worst ones

    decomp=false --true --true for DeCompression instead of compression
    modulator=false --true --changing compression/decompression each loop

    delete_existing_bands = false    -- set to true when you want to delete any existing bands at starttime,
                                     -- if you set it to false, the bands aren't deleted and aren't changed
                                     -- the bands will stay enabled or disabled like at starttime of script
end

--http://fold.it/portal/recipe/17939  Team AD - Rav3n_pl Compressor v1.9
--Author: Rav3n_pl
function SetPreset17939Options()
    allLoop=false
    numBands=13
    minSkip=15
    compressFrac=4
    --minDist=10
    --maxDist=24
    fastQstab=false
    --usePF=true
    --useBF=false2
    lastBands=0.4
    bandStr=1.0
    slowBands=true
    percLoss=2
    repeatGood=true
    pullingCI=0.9
    maxLoss=50
    reloadBest=5
end

--http://fold.it/portal/recipe/26524  Rav3n_pl Compressor v2.0
--Author: Rav3n_pl
function SetPreset26524Options()
    allLoop=false
    numBands=9
    minSkip=15
    compressFrac=4
    fastQstab=false
    lastBands=0.3
    bandStr=1.0
    slowBands=true
    percLoss=2
    repeatGood=true
    pullingCI=0.9
    maxLoss=50
    reloadBest=5
end

--http://fold.it/portal/recipe/27351  Rav3n_pl Compressor v2.2 loss
--Author: Rav3n_pl
function SetPreset27351Options()
    allLoop=true
    numBands=8
    minSkip=15
    compressFrac=5
    --minDist=7
    fastQstab=true
    lastBands=0.3
    bandStr=1.0
    slowBands=true
    percLoss=1
    repeatGood=false
    pullingCI=1
    maxLoss=30
    reloadBest=5
end

--http://fold.it/portal/recipe/31617  Rav3n_pl Compressor v2.2 loss Modified
--Author: Mike Cassidy
function SetPreset31617Options()
    allLoop=true
    numBands=21
    minSkip=11
    compressFrac=7
    --minDist=7
    fastQstab=true
    lastBands=0.3
    bandStr=1.0
    slowBands=true
    percLoss=2.8
    repeatGood=true
    pullingCI=1
    maxLoss=30
    reloadBest=5
end

--http://fold.it/portal/recipe/38926  Rav3n_pl Compressor v5 mutate
--Author: TheGUmmer
function SetPreset38926Options()
    allLoop=true
    numBands=30
    minSkip=5
    compressFrac=11
    --minDist=3
    fastQstab=true
    lastBands=0.6
    bandStr=1.8
    slowBands=true
    percLoss=1.9
    repeatGood=true
    pullingCI=0.67
    maxLoss=30
    reloadBest=5
end

function ChangeCompressorOptions()
    
    local opt = dialog.CreateDialog("Compressor Options")
    
    opt.seed          = dialog.AddTextbox("Random Seed", seed)
    opt.numTries      = dialog.AddSlider("Number of Loops",  numTries, 1, 9999, 0)
    opt.minSkip       = dialog.AddSlider("Min. Skip", minSkip, 2, 30, 0) --minimum segment distance between banded segments
    opt.slowBands     = dialog.AddCheckbox("Slowly raise band strengths", slowBands) --bands strength are raised few times till score drops by %
    opt.lastBands     = dialog.AddSlider("Start Strength", lastBands, 0, 10, 2) --starting band str
    opt.bandStr       = dialog.AddSlider("Max Strength", bandStr, 0, 10, 2) --max band strength
    opt.decomp        = dialog.AddCheckbox("Decompression instead of compression", decomp)
    opt.allLoop       = dialog.AddCheckbox("All-Loop Mode",allLoop) --work in all-loop mode. sometimes work better than structure mode :)
    opt.delete_bands  = dialog.AddCheckbox("Delete Existing Bands",delete_existing_bands)
    opt.S2H           = dialog.AddCheckbox("Only band sheets to helixes", S2H) --all bands are between sheets and helixes
    opt.bandStructure = dialog.AddCheckbox("Always band to structure (not loop)", bandStructure) --all bands have at least one end on structure (not loop)
    opt.noLoops       = dialog.AddCheckbox("Band between structures (no loops)", noLoops) --band can't have any end on loop
    opt.mutableRegions= dialog.AddCheckbox("Band mutable regions", mutableRegions) --all bands have at least one end on a mutable segment
    opt.mutate        = dialog.AddCheckbox("Mutate", mutate)
    opt.fastQstab     = dialog.AddCheckbox("Fast qStab", fastQstab) --only 1 shake and 1 wiggle when true
    opt.useFuze       = dialog.AddCheckbox("Use Fuze after qStab", useFuze) -- use Fuze after qStab
    opt.fuzeScoreLbl  = dialog.AddLabel("How close we have to be to run Fuze")
    opt.fuzeScore     = dialog.AddSlider("Score Diff.", fuzeScore, -10, 100, 0) --how close we have to be to run Fuze
    opt.repeatGood    = dialog.AddCheckbox("Repeat good bands", repeatGood)
    opt.maxLoss       = dialog.AddSlider("Max Loss", maxLoss, 0, 1000, 0) --maximum acceptable LOSS after pull/stabilize
    opt.reloadBest    = dialog.AddSlider("Max Losses", reloadBest, 1, 100, 0) --reload best solution after that many worst ones

    opt.OK            = dialog.AddButton("OK",1)
    opt.Cancel        = dialog.AddButton("Cancel",0)
    
    if dialog.Show(opt) <= 0 then
        return
    end
    
    seed=opt.seed.value
    numTries=opt.numTries.value
    minSkip=opt.minSkip.value
    
    slowBands=opt.slowBands.value
    lastBands=opt.lastBands.value
    bandStr=opt.bandStr.value
    decomp=opt.decomp.value
    
    allLoop=opt.allLoop.value
    delete_existing_bands=opt.delete_bands.value
    S2H=opt.S2H.value
    bandStructure=opt.bandStructure.value
    noLoops=opt.noLoops.value
    mutableRegions=opt.mutableRegions.value
    mutate=opt.mutate.value

    fastQstab=opt.fastQstab.value
    useFuze=opt.useFuze.value
    fuzeScore=opt.fuzeScore.value
    
    repeatGood=opt.repeatGood.value
    maxLoss=opt.maxLoss.value
    reloadBest=opt.reloadBest.value
end

function SelectCompressorPresets()
    local opt         = dialog.CreateDialog("Compressor Presets")
    
    opt.r17939 = dialog.AddButton("1.9",1)
    opt.r26524 = dialog.AddButton("2.0",2)
    opt.r27351 = dialog.AddButton("2.2 loss",3)
    opt.r31617 = dialog.AddButton("Mike's",4)
    opt.r38926 = dialog.AddButton("GU's",5)
    opt.Cancel = dialog.AddButton("Cancel",0)
    
    local btn = dialog.Show(opt)
    if btn == 1 then
        SetPreset17939Options()
    elseif btn == 2 then
        SetPreset26524Options()
    elseif btn == 3 then
        SetPreset27351Options()
    elseif btn == 4 then
        SetPreset31617Options()
    elseif btn == 5 then
        SetPreset38926Options()
    end
    
end

function ChangeOptions()
    local opt         = dialog.CreateDialog("Compressor "..ver)
    
    opt.numBands      = dialog.AddSlider("Num. Bands", numBands, 0, 60, 0) --how many bands use at once
    opt.compressFrac  = dialog.AddSlider("Length Change", compressFrac, 0, 15, 2) --make bands shorter by that much points
    opt.percLoss      = dialog.AddSlider("Percent Loss", percLoss, 0, 10, 2) --pulling stops when score drops by that percent (ie 2=200pts when 10k pts)
    opt.pullingCI     = dialog.AddSlider("Pulling CI", pullingCI, 0, 1, 2) --clash importance during pull
    opt.modulator     = dialog.AddCheckbox("Modulator - switch Compression / Decompression", modulator)

    opt.Start         = dialog.AddButton("Start",1)
    opt.ChangeOptions = dialog.AddButton("Options",2)
    opt.SelectPresets = dialog.AddButton("Presets",3)
    opt.Cancel        = dialog.AddButton("Cancel",0)
    
    local btn = 0
    while btn ~= 1 do
        btn = dialog.Show(opt)
    
        numBands=opt.numBands.value
        compressFrac=opt.compressFrac.value
        percLoss=opt.percLoss.value
        pullingCI=opt.pullingCI.value
        modulator=opt.modulator.value

        if btn <= 0 then
            error("Cancelled")
        elseif btn == 2 then
            ChangeCompressorOptions()
        elseif btn == 3 then
            SelectCompressorPresets()
        end
    end
end

function ReportOptions()
    print("+--- Selected Options ---+")
    print("Number of Bands:", numBands)
    print("Compression Fraction:", compressFrac)
    print("Percent Loss:", percLoss)
    print("Pulling CI:", pullingCI)
    print("Modulator:", modulator)
    print("+--- Other Options ---+")
    print("Random Seed:", seed)
    print("Minimum Segment Distance:", minSkip)
    print("Slowly raise band strengths:", slowBands)
    print("Start Strength:", lastBands)
    print("Max Strength:", bandStr)
    print("Decompression instead of compression:", decomp)
    print("All-Loop Mode:", allLoop)
    print("Only band sheets to helixes:", S2H)
    print("Always band to structure (not loop):", bandStructure)
    print("Band between structures (no loops):", noLoops)
    print("Band mutable regions:", mutableRegions)
    print("Mutate:", mutate)
    print("Fast qStab:", fastQstab)
    print("Use Fuze:", useFuze)
    print("Fuze Score Diff:", fuzeScore)
    print("Repeat good bands:", repeatGood)
    print("Max Loss:", maxLoss)
    print("Max Losses:", reloadBest)
    print("+--- --- ---+")
end

SetDefaultOptions()
ChangeOptions()
ReportOptions()

math.randomseed(seed)
    
function cleanup(err)
    print("Setting Clashing Importance to 1.0")
    behavior.SetClashImportance(1.00)
    print("Loading best solution from script")
    save.Quickload(3)
    if allLoop then
        print("Restoring secondary structures")
        save.LoadSecondaryStructure()
    end
    print(err)
end

xpcall(Compressor, cleanup)