Code
kOriginalStructureOrNewBest = 1 -- the starting structure, or any subsequent improvement, will be stored in this quicksave slot
best_score = 0
idealize_length = 3
min_residue = 1
max_residue = 999
score_type = 1
original_slow_filters_setting = 0
kDefaultWiggle = 12
sphere = {}
kSphereRadius = 10
function r3 ( i )
-- printing convenience
return i - i % 0.001
end
function GetScore ()
if ( score_type == 1 ) then
score = current.GetEnergyScore ()
elseif ( score_type == 2 ) then
behavior.SetSlowFiltersDisabled ( false )
score = current.GetScore ()
behavior.SetSlowFiltersDisabled ( true )
end
return score
end
function DoesPuzzleHaveSlowFilters ()
init_setting = behavior.GetSlowFiltersDisabled ()
if ( init_setting == false ) then
score_without_sf = current.GetScore ()
behavior.SetSlowFiltersDisabled ( true )
score_with_sf = current.GetScore ()
else
score_with_sf = current.GetScore ()
behavior.SetSlowFiltersDisabled ( false )
score_without_sf = current.GetScore ()
end
behavior.SetSlowFiltersDisabled ( init_setting )
if ( math.abs ( score_without_sf - score_with_sf ) > 1e-3 ) then
return true
else
return false
end
end
function SphereSelect ( start_idx , end_idx )
for i = 1 , n_residues do
sphere [ i ] = false
end
for i = 1 , n_residues do
for j = start_idx , end_idx do
if ( structure.GetDistance ( i , j ) < kSphereRadius ) then
sphere [ i ] = true
end
end
end
selection.DeselectAll ()
for i = 1 , n_residues do
if ( sphere [ i ] == true ) then
selection.Select ( i )
end
end
end
function GoSegment ( start_idx , end_idx )
save.Quickload ( kOriginalStructureOrNewBest )
if ( start_idx > 1 ) then
structure.InsertCut ( start_idx )
end
if ( end_idx < n_residues ) then
structure.InsertCut ( end_idx )
end
selection.DeselectAll ()
selection.SelectRange ( start_idx , end_idx )
structure.IdealizeSelected ()
if ( start_idx > 1 ) then
structure.DeleteCut ( start_idx )
end
if ( end_idx < n_residues ) then
structure.DeleteCut ( end_idx )
end
SphereSelect ( start_idx , end_idx )
structure.WiggleSelected ( kDefaultWiggle )
score = GetScore ()
if ( ( score > best_score ) and ( creditbest.AreConditionsMet () == true ) ) then
best_score = score
print ( "Improvement to ".. r3 ( best_score ) )
save.Quicksave ( kOriginalStructureOrNewBest )
end
end
function Coprime ( n )
local primes = {2,3,5,7,11,13,17,19,23,29,31,37,41,43,47,53,59,61,67,71,73,79,83,89,97,101}
i = #primes
-- find the highest prime < 70% of the residue count and which is coprime with the number of residues
while ( i >= 1 ) do
if ( primes [ i ] < n*0.7 and n % primes [ i ] ~= 0 ) then
return primes [ i ]
end
i = i - 1
end
return 1
end
function pseudorandom ( score )
-- Returns a pseudorandom number >= 0 and < 1.
-- Based on the fractional part of the score
if ( score >= 0 ) then
return score % 1
else
return (-score ) % 1
end
end
function Go ()
local inc
max_possible_residue = max_residue - idealize_length + 1
n_possible_segs = max_possible_residue - min_residue + 1
r = pseudorandom ( best_score )
start_idx = min_residue + n_possible_segs * r
start_idx = start_idx - start_idx % 1
inc = Coprime ( n_possible_segs )
for i = 1 , n_possible_segs do
print ( start_idx .. "-" .. start_idx + idealize_length - 1 .. " (" .. i .. "/" .. n_possible_segs .. ")" )
GoSegment ( start_idx , start_idx + idealize_length - 1 )
start_idx = start_idx + inc
if ( start_idx > max_possible_residue ) then
start_idx = start_idx - n_possible_segs
end
end
end
function GetParameters ()
local dlog = dialog.CreateDialog ( "MicroIdealize 3.0" )
dlog.idealize_length = dialog.AddSlider ( "Idealize length" , idealize_length , 1 , 20 , 0 )
dlog.min_residue = dialog.AddSlider ( "Min residue" , 1 , 1 , n_residues , 0 )
dlog.max_residue = dialog.AddSlider ( "Max residue" , n_residues , 1 , n_residues , 0 )
if ( DoesPuzzleHaveSlowFilters () == true ) then
score_type = 2
end
dlog.score_type = dialog.AddSlider ( "Score type" , score_type , 1 , 2 , 0 )
dlog.ok = dialog.AddButton ( "OK" , 1 )
dlog.cancel = dialog.AddButton ( "Cancel" , 0 )
if ( dialog.Show ( dlog ) > 0 ) then
idealize_length = dlog.idealize_length.value
min_residue = dlog.min_residue.value
max_residue = dlog.max_residue.value
score_type = dlog.score_type.value
return true
else
return false
end
end
function main ()
print ( "MicroIdealize 3.0" )
save.Quicksave ( kOriginalStructureOrNewBest )
best_score = GetScore ()
print ( "Start score " .. r3 ( best_score ) )
n_residues = structure.GetCount ()
original_slow_filters_setting = behavior.GetSlowFiltersDisabled ()
if ( GetParameters () == false ) then
return -- graceful exit
end
print ( "Length " .. idealize_length )
Go ()
cleanup ()
end
function cleanup ()
print ( "Cleaning up" )
behavior.SetClashImportance ( 1.0 )
save.Quickload ( kOriginalStructureOrNewBest )
behavior.SetSlowFiltersDisabled ( original_slow_filters_setting )
end
--main ()
xpcall ( main , cleanup )
