Recipe: Mutate Tweak Worst v0.1 BETA - Brow 42

created by brow42

Profile

• Name: Mutate Tweak Worst v0.1 BETA - Brow 42
• ID: 40448
• Shared with: Public
• Parent: None
• Children:
  • Mutate Tweak Worst v0.1 bugged
  • Mutate Tweak Worst v0.1 - Brow 42
  • Mutate Tweak Worst v0.1 BETA - Brow 42
  • Mutate Tweak Worst
• Created on: July 18, 2012 at 16:40 PM UTC
• Updated on: July 18, 2012 at 16:40 PM UTC
• Description:

  Like Tlaloc mutate all, but sorted by score. and quicker fuzing. Frozen segs are skipped. Early release, untested.

Code

--[[
 * Mutate Worst
 * Original Author: Brow42  Apr 8 2012
 
 * This script combines the functions of Mutate Combo
 * Mutate All Acid Tweak Sidechain Tweak, but does so
 * start from the worst scoring segment. It also is
 * less rigorous about stabilizing after tweak/mutation.
 
 * Version 0.1 Quick release for end of puzzle 537 2102/4/8
 
 * For each AA (optionally, only mutable AAs):
 * Perform a sidechain tweak (optional fuze after each tweak)
 * Perform a mutation (optional fuze or tweak after each mutation)
 * Starts with lowest scoring AA
--]]

title = 'Simple Mutate-Tweak Worst 0.1 BETA'
beta_date = os.time({year=2012, month=9, day=31})

_,has_mutables = pcall(function() for i = 1,structure.GetCount() do if structure.IsMutable(i) then return true end  end return false end)
do_mutate = true and has_mutables
do_sidechain = false or not has_mutables
do_fuze = true
aa_list = { 'a', 'c', 'd', 'e', 'f', 'g', 'h', 'i', 'k', 'l', 'm', 'n', 'p', 'q', 'r', 's', 't', 'v', 'w', 'y' }
score_type = ''
shake_radius = 15
mutable_only = true and has_mutables
n_shakes = 10
n_wiggles = 10


print(title)
print(puzzle.GetName(),current.GetScore())

if beta_date and beta_date < os.time() then
    local d = dialog.CreateDialog('Beta Expired')
    d.msg = dialog.AddLabel('This beta software has expired.')
    d.msg2 = dialog.AddLabel('Please download a new copy today!')
    d.ok = dialog.AddButton('Ok!',1)
    dialog.Show(d)
end

function MakeDialog()
    local d = dialog.CreateDialog(title)
    if beta_date then
        d.beta = dialog.AddLabel(string.format(
        ' * This is a BETA recipe that expires %s.',os.date('%b. %d %Y',beta_date)))
    end
    d.label1 = dialog.AddLabel('Peforms Mutate and/or Tweak on Worst')
    d.label2 = dialog.AddLabel('Fuze or Tweak will be performed after each mutation')
    d.mutate = dialog.AddCheckbox('Do Mutation',do_mutate)
    d.sidechain = dialog.AddCheckbox('Do Sidechain Tweak',do_sidechain)
    d.fuze = dialog.AddCheckbox('Do Simple Fuze: LCI S CI1 W LCI W CI1 W',do_fuze)
    d.onlymute = dialog.AddCheckbox('Only Do Mutable',mutable_only)
    d.ok = dialog.AddButton('Go',1)
    d.cancel = dialog.AddButton('Cancel',0)
    local rc = dialog.Show(d)
    if rc == 0 then return 0 end
    do_mutate = d.mutate.value
    do_sidechain = d.sidechain.value
    do_fuze = d.fuze.value
    mutable_only = d.onlymute.value
    return 1
end

if MakeDialog() == 0 then
    print('Canceled')
    return
end


function GetSegmentScore(iSeg)
    if score_type == '' then
        return current.GetSegmentEnergyScore(iSeg)
    end
    return current.GetSegmentEnergySubscore(iSeg,score_type)
end

_BestScore = -math.huge
function ResetBest() _BestScore = current.GetEnergyScore() save.Quicksave(100) end
function SaveBest() if current.GetEnergyScore() > _BestScore then ResetBest() end end
function RestoreBest() save.Quickload(100) end

if structure.IsLocked == nil then
    structure.IsLocked = function() return false end
end

function Select(iSeg)
    selection.SelectRange(iSeg,shake_radius)
end
function DoWiggle()
    structure.WiggleSelected(n_wiggles)
end
function DoShake()
    structure.ShakeSidechainsSelected(n_shakes)
end
function DoFuze()
    behavior.SetClashImportance(0.3)
    DoShake()
    behavior.SetClashImportance(1.0)
    DoWiggle()
    behavior.SetClashImportance(0.5)
    DoWiggle()
    behavior.SetClashImportance(1.0)
    DoWiggle()
    SaveBest()
end

function DoSidechain(iSeg)
    local n_rot = rotamer.GetCount(iSeg)
    if n_rot < 2 then return end
    print('  Optimizing',iSeg,n_rot,'rotamers')
    for r = 1,n_rot do
        rotamer.SetRotamer(iSeg,r)
Select(iSeg) -- redundant?
        DoShake() -- need to freeze here
        if do_fuze then DoFuze()
        else DoShake() DoWiggle()
        end
        SaveBest()
    end
end

targets = {}

for i = 1,structure.GetCount() do
    if structure.GetSecondaryStructure(i) ~= 'M' then
        if (structure.IsMutable(i) or not mutable_only) and not (structure.IsLocked(i) or freeze.IsFrozen(i)) then
            targets[#targets+1] = {i, GetSegmentScore(i) }
        end
    end
end

function SortFunc(a,b)
    return a[2] < b[2]
end

table.sort(targets,SortFunc)
print('Found',#targets,'segments to mutate/tweak.')

selection.DeselectAll()
for iSeg = 1, #targets do
    save.Quicksave(3)
    ResetBest()
    Select(targets[iSeg][1])
    local s = current.GetScore()
    print(iSeg,'Seg',targets[iSeg][1],targets[iSeg][2])
    if do_mutate then
        for iaa = 1, #aa_list do
            structure.SetAminoAcid(targets[iSeg][1],aa_list[iaa])
            DoShake()
            DoWiggle()
            SaveBest()
            if do_fuze and not do_sidechain then DoFuze() end
            if do_sidechain then DoSidechain(targets[iSeg][1]) end
        end
    else
        if do_fuze then DoFuze() else DoWiggle() SaveBest() end
        if do_sidechain then DoSidechain(targets[iSeg][1]) end
    end
    selection.DeselectAll()
    RestoreBest()
    if s < current.GetScore() then
        print('Improvement to',current.GetScore(),current.GetScore()-s)
    end
end

Comments

[Rav3n_pl]

THIS SCRIPT STARTED ON PUZZLE 537 WILL MAKE IT UNUSABLE AND SCORE WILL NOT COUNT!
537 PUZZLE IS BUGGED!

[brow42]

Reshared because bug is supposedly fixed.