Recipe: Selected Bands

created by joshmiller

Profile

• Name: Selected Bands
• ID: 104210
• Shared with: Public
• Parent: None
• Children: None
• Created on: December 12, 2020 at 16:56 PM UTC
• Updated on: December 12, 2020 at 16:56 PM UTC
• Description:

  Performs band operations only on bands touching selected segments.

Code

-- Selected Bands by joshmiller
-- Performs band operations only on bands touching selected segments
-- v 1.0, 12/6/2020

function GetSelectedBands() --recipeOnly
    bands = {}
    selectedResidues = {}
    
    for i = 1, structure.GetCount() do
        if selection.IsSelected(i) then
            selectedResidues[i] = true -- use sets instead of lists to avoid duplication
        end
    end
    
    for j = 1, band.GetCount() do
        if isInSet(band.GetResidueBase(j), selectedResidues)
        or isInSet(band.GetResidueEnd(j), selectedResidues) 
        --and (not recipeOnly or band.IsRecipeBand(j)) -- not working right for some reason
        then
            bands[j] = true
        end
    end
    return bands
end

function isInSet(element, set)
    for key,value in pairs(set) do
        if element == key and value then
            return true
        end
    end
    return false
end


-- because deleting a band changes the indices of some others,
-- we keep track of what we delete and account for that
function SafeDeleteBands(bandSet)
    deletedBands = {}
    for key,value in pairs(bandSet) do
        realIndex = key - GetOffset(key, deletedBands)
        band.Delete(realIndex)
        deletedBands[key] = true
    end
end

-- returns the change in index to element after deleting deletedElementsSet
function GetOffset(element, deletedElementsSet)
    offset = 0
    for key,value in pairs(deletedElementsSet) do
        if element > key and value then
            offset = offset + 1
        end
    end
    return offset
end

function DoToBands(bandSet, func, ...)
    for i,inSet in pairs(bandSet) do
        if inSet then
            func(i, ...) -- assume the first arg of a band function is the band index
        end
    end
end

function ToggleBand(index)
    if band.IsEnabled(index) then
        band.Disable(index)
    else
        band.Enable(index)
    end
end

local ask = dialog.CreateDialog("Selected Bands")
ask.Instructions = dialog.AddLabel("1. Select segments connected to desired bands.")
ask.Instructions2 = dialog.AddLabel("2. Check options below to modify those bands.")
ask.Toggle = dialog.AddCheckbox("Toggle", false)
ask.Enable = dialog.AddCheckbox("Enable", false)
ask.Disable = dialog.AddCheckbox("Disable", false)
ask.SetStrength = dialog.AddCheckbox("Set Strength", false)
ask.Strength = dialog.AddSlider("Strength", 1, 0, 10, 1)
ask.SetLength = dialog.AddCheckbox("Set Length", false)
ask.Length = dialog.AddSlider("Length", 2, 0, 10, 1)
ask.Delete = dialog.AddCheckbox("Delete", false)
--ask.RecipeOnly = dialog.AddCheckbox("Modify Recipe Bands Only", false)
-- not working right for some reason, removing

ask.OK = dialog.AddButton("OK", 1)
ask.Cancel = dialog.AddButton("Cancel", 0)

if (dialog.Show(ask) > 0) then
    bands = GetSelectedBands() --ask.RecipeOnly.value
    

    if ask.Toggle.value then
        DoToBands(bands, ToggleBand)
    end
    
    if ask.Enable.value then
        DoToBands(bands, band.Enable)
    end
    
    if ask.Disable.value then
        DoToBands(bands, band.Disable)
    end
    
    if ask.SetStrength.value then
        DoToBands(bands, band.SetStrength, ask.Strength.value)
    end
    
    if ask.SetLength.value then
        DoToBands(bands, band.SetGoalLength, ask.Length.value)
    end
    
    if ask.Delete.value then
        SafeDeleteBands(bands)
    end
end