Recipe: Secondary Structure

created by johnpwykes

Profile

• Name: Secondary Structure
• ID: 104686
• Shared with: Public
• Parent: None
• Children: None
• Created on: March 25, 2021 at 16:14 PM UTC
• Updated on: March 25, 2021 at 16:14 PM UTC
• Description:

  Secondary Structure

Code

function Cleanup ( errmsg )
p("Cleanup")
    if CLEANUPENTRY ~= nil then
        return
    end
    CLEANUPENTRY = true

    print ( "---*****" )
    local reason
    local start, stop, line, msg
    if errmsg == nil then
        reason = "complete"
    else
    --
    --  civilized error reporting,
    --  thanks to Bruno K. and Jean-Bob
    --
        start, stop, line, msg = errmsg:find ( ":(%d+):%s()" )
        if msg ~= nil then
            errmsg = errmsg:sub ( msg, #errmsg )
        end
        if errmsg:find ( "Cancelled" ) ~= nil then
            reason = "cancelled"
        else
            reason = "error"
        end
        p(errmsg)
        p(reason)
        p( "Puzzle: " .. puzzle.GetName () )
        p( "Track: " .. ui.GetTrackName () )
        p( "Error line: " .. line )
 
    end

    print (  ReVersion .. " " .. reason )
    print ( "Puzzle: " .. puzzle.GetName () )
    print ( "Track: " .. ui.GetTrackName () )

    if reason == "error" then
        print ( "Unexpected error detected" )
        print ( "Error line: " .. line )
        print ( "Error: \"" .. errmsg .. "\"" )
    end

    save.Quickload ( QS_Best )
    PrintState  ()
    SetCI ( 1.0 )
    selection.DeselectAll ()
    ManageBands ()
end


function Initial()
--    p("Initial")
    Iterations=6
    Start=115
    Stop=197
    InitialFlag="Y"

    behavior.SetClashImportance(0)
    behavior.SetSidechainHBondImportance(1)
    behavior.SetBackboneHBondImportance(1)

    MainDialog = dialog.CreateDialog("Main")

end


function Initialise()
p("Initialise")

    puzzle.StartOver()
    band.DeleteAll()
    selection.DeselectAll()

    Main()
end


function Forward()
p("Forward")

    SecondaryStructureFunction()


end


function Main()
p("Main")
    if InitialFlag ~= "Y" then
        Initial()
        InitialFlag = "Y"
    end
    PopulateMain()
    local choice = dialog.Show(MainDialog)
    Start = MainDialog.SeqStartSlider.value
    Stop = MainDialog.SeqStopSlider.value
    Iterations = MainDialog.IterationsSlider.value

    if (choice == 0) then
        print("Cancelled")
    elseif choice==1 then
       Initialise()
    elseif choice==2 then
       Forward()
    end
    if choice ~=0 then
    Main()
    end
end


function SecondaryStructureFunction()
p("SecondaryStructure")

    SegmentCount = Stop - Start + 1
    Score = math.floor(current.GetEnergyScore())
p("Initial Score: "..Score)
    for i = 1,Iterations,1 do
        SegmentRandom = Start + math.random(SegmentCount) - 1
        selection.Select(SegmentRandom)
        SecondaryStructureRandom = math.random(3)
        SecondaryStructureOld = structure.GetSecondaryStructure(SegmentRandom)
        if SecondaryStructureRandom == 1 then SecondaryStructure = "H" end
        if SecondaryStructureRandom == 2 then SecondaryStructure = "E" end
        if SecondaryStructureRandom == 3 then SecondaryStructure = "L" end
        structure.SetSecondaryStructure(SegmentRandom,SecondaryStructure)
        structure.WiggleSelected(1)
        newscore = math.floor(current.GetEnergyScore())
        if (newscore > Score) then
p(i..") Seg: "..SegmentRandom.." from "..SecondaryStructureOld.." to "..SecondaryStructure.." Score: "..math.floor(newscore))
            save.Quicksave(3)
        end
        save.Quickload(3)
        selection.DeselectAll()
    end
    p("Secondary Structure")
    p("Finished")

end


function PopulateMain()
--p("PopulateMain")

    MainDialog.IterationsSlider = dialog.AddSlider("Iterations",Iterations,0,100,0)
    MainDialog.SeqStartSlider = dialog.AddSlider("Start Segment",Start,0,200,0.1)
    MainDialog.SeqStopSlider = dialog.AddSlider("Stop segment",Stop,0,200,0.1)
    MainDialog.InitialiseButton = dialog.AddButton("Initialise", 1)
    MainDialog.ForwardButton = dialog.AddButton("Forward", 2)
    MainDialog.BackButton = dialog.AddButton("Back", 3)
    MainDialog.CancelButton = dialog.AddButton("Display Macro", 0)
end

function p(str)
    print(str)
end


xpcall(Main, Cleanup)