Recipe: XBander - Seagat2011

created by Seagat2011

Profile

• Name: XBander - Seagat2011
• ID: 100183
• Shared with: Public
• Parent: None
• Children:
  • XBander - Seagat2011
  • XBander - Seagat2011
• Created on: November 05, 2014 at 17:06 PM UTC
• Updated on: November 05, 2014 at 17:06 PM UTC
• Description:

  ( GAB ) Bands to space.

Code

--[[------------------------------------------------------------------------------------------------
-- This recipe is based on GAB loss, however attempts to band to space

REFERENCES
1. Rav3n_pl GAB v0.6 loss - http://fold.it/portal/recipe/34931

Copyright (C) 2014 Seagat2011 <http://fold.it/port/user/1992490>

    This program is free software: you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
    (at your option) any later version.

    This program is distributed in the hope that it will be useful,
    but WITHOUT ANY WARRANTY; without even the implied warranty of
    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    GNU General Public License for more details.

    You should have received a copy of the GNU General Public License
    along with this program.  If not, see <http://www.gnu.org/licenses/>.

$Id$

------------------------------------------------------------------------------------------------]]--

--[[
v1
- inception
- New operator

v1.0
- rho/theta/phi band-angles functionality
- fixed band.Add parameter-list bug

v1.1
- centered viewport before wiggle

v1.2
- added ws after wb
- disabled recentbest.Restore ()

v1.3
- Nudge local area only (with local wiggle)

v1.4
- No Nudge
- wout 30 => 3 iters (performance)

v1.5
- Added ci awareness
- Added band.AddXBand
- Added sh after wb
- wout 3 => 10 iters (coverage)

v1.6
- fixed band.Add (x-segment-collision) bug
- re-enabled recentbest.Restore () (thresholded)
- Added SmartShake
- wout 10 => 3 (performance) + wout2 + wout (threshold)

v1.7
- GUI Added :)

]]--

local idx    = 1
local idx2   = structure.GetCount ()
local cs     = current.GetScore ()
local wout   = 3
local wout2  = 2
local wout3  = 7
local thresh = 1 -- minppi (gain/threshold) to employ wout3 --
local PI_degrees = 180
local PI_degreeN = -180
local ZERO       = 0
local percent    = 30  -- percent ( 0 - 100 ) 
local neighbors  = 12  -- structure.GetCount ()*percent*1e-2 -- Distance to nearest neighbors, measured in foldit units (fu) --
local rthresh    = 500 -- reset threshold to recent/abs best pose --
local str  = 'Anthropic Dreams Solution - ref#:'..puzzle.GetExpirationTime ()..user.GetPlayerID ()
local return_value = {
  OK     = 1,
  HELP   = 2,
  CANCEL = 0
}
local status = 0

local ask   = dialog.CreateDialog ( "Anthropic Dreams - XBander v1.7 " )
ask.l1      = dialog.AddLabel  ( "Enter necessary values. ( if any )" )

ask.spacer03 = dialog.AddLabel ( '' )
ask.spacer04 = dialog.AddLabel ( '' )
ask.spacer05 = dialog.AddLabel ( '' )
ask.spacer06 = dialog.AddLabel ( '' )
ask.spacer07 = dialog.AddLabel ( '' )
ask.spacer08 = dialog.AddLabel ( '' )
ask.spacer09 = dialog.AddLabel ( '' )
ask.spacer10 = dialog.AddLabel ( '' )

ask.l4 = dialog.AddLabel  ( [[ KEYWORDS: XBanderExecute()*,
BF_DuringStabilize(,)*,MutateDuringBF(,),
ShakeDuringBF()*,MutateInsteadOFShake(),
LWS_DuringStabilize(),BF_first*,
LWS_First,RestoreIfStopped()*,
MutateInsteadOFShakeDuringBF(),
EnableCrashRecovery(),IgnoreBands(,..)*,
DisableBands(,..),UseBands(,..),
DeleteBands(,..)*,EnableBandsAfterBF(,..),
EnableBandsDuringBF(,..),
EnableBandsBeforeBF(,..),
EnableBandsAfterStabilize(,..),
EnableBandsDuringStabilize(,..),
EnableBandsBeforeStabilize(,..),
IncludeFrozenSegments(,..)*,
IgnoreFrozenSegments(,..)
IncludeMutableSegments(,..)*,
IgnoreMutableSegments(,..),
IncludeAllStructures*,
IgnoreMotifs(),IgnoreHelices(,..),
IgnoreLoops(,..),PreserveStructures*,
ConvertStructuresToLOOP(,..),
ConvertStructuresToHELICES(,..),
ConvertStructuresToSHEET(,..)
SaveConfigurationOnExit() 

* - Indicates default Settings ]] )

ask.spacer13 = dialog.AddLabel ( '' )
ask.spacer14 = dialog.AddLabel ( '' )
ask.spacer15 = dialog.AddLabel ( '' )
ask.spacer16 = dialog.AddLabel ( '' )
ask.spacer17 = dialog.AddLabel ( '' )
ask.spacer18 = dialog.AddLabel ( '' )
ask.spacer19 = dialog.AddLabel ( '' )
ask.spacer20 = dialog.AddLabel ( '' )

ask.commands = dialog.AddTextbox( "Configuration:",'' )

ask.spacer7 = dialog.AddLabel ( '' )

ask.OK      = dialog.AddButton("OK",1)
ask.HELP    = dialog.AddButton("HELP",2)


local askhelp  = dialog.CreateDialog ( 'Anthropic Dreams - Help Window ' )

askhelp.spacer02 = dialog.AddLabel (  '' )
askhelp.spacer03 = dialog.AddLabel (  '' )
askhelp.spacer04 = dialog.AddLabel (  '' )
askhelp.spacer05 = dialog.AddLabel (  '' )

askhelp.spacer01 = dialog.AddLabel ( [[ Wildcards:  
 - ()      None - Enable/Use defaults
 - (*)     All or forever   (Most Points)*
 - (n)     n number of times (Very stable)
 - (?)     RANDOM number of times
 - (s)     Summon Selection Interface
 - (-r)     recent best pose
 - (-a)    absolute best pose
 - (-c)    current best pose
 - (?>n) RANDOM ATLEAST n number of times
 - (?<n) RANDOM ATMOST  n number of times ]] )

askhelp.spacer06 = dialog.AddLabel (  '' )
askhelp.spacer07 = dialog.AddLabel (  '' )
askhelp.spacer08 = dialog.AddLabel (  '' )
askhelp.spacer09 = dialog.AddLabel (  '' )

askhelp.OK = dialog.AddButton ( "OK",1 )

status = dialog.Show ( ask )
while ( status == return_value.HELP ) do
  dialog.Show ( askhelp )
  status = dialog.Show ( ask ) 
end

print ( 'XBander v1.7 SG2011 - Current Score: '..cs )
print ( 'Working..' )

function SelectSphere ( n )
  local x  = n.idx
  local x2 = n.idx2
  local offset = ( n.idx2 - n.idx ) / 2
  local k = structure.GetCount ()
  local i = x + offset
  repeat
    if structure.GetDistance ( k,i ) < neighbors then
      selection.Select ( k )
    end
    k = k - 1
  until k < 1
end

selection.SelectSphere = SelectSphere

local function cleanup ()
  behavior.SetClashImportance ( 1 )
  recentbest.Restore ()
  print ( 'Done.' )
end

local function ToRadians ( deg )
  if deg > PI_degrees or deg < PI_degreeN then
    print ( '** Warning ** - Angle too big! ('..deg..')' )
    deg = deg%PI_degrees
    print ( 'Trim to new value:'..deg )
  end
  return (deg * 0.01745329251994329577)
end

local Math = { ToRadians = ToRadians }

local ss = { HELIX = HELIX, SHEET = SHEET, LOOP = LOOP }

local function New ( obj )
  return obj -- pass-new-obj-by-value
end

structure.New = function ( proto ) -- new metatable entry
  return structure [ proto ]
end

structure.WiggleBackbone      = structure.New ('WiggleAll')
structure.WiggleSidechains    = structure.New ('WiggleAll')
structure.LocalWiggleBackbone = structure.New ('LocalWiggleSelected')

structure.WiggleBackbone_   = function ( iters )
  structure.WiggleBackbone ( iters,true,false )   -- update screen
end
structure.WiggleSidechains_ = function ( iters )
  structure.WiggleSidechains ( iters,false,true ) -- update screen
end
structure.LocalWiggleBackbone_ = function ( iters )
  structure.LocalWiggleBackbone ( iters,true,false )
end

local function func ()
  local nStep2 =  -1
  while ( nStep2 < ( idx )) or ( nStep2 > ( idx2 )) do 
    nStep2 = (recipe.GetRandomSeed ()%(idx2)) + (recipe.GetRandomSeed ()%(idx)) 
  end
  return nStep2 
end

local function func2 ()
  local nStep2 = -1e-99
  while ( nStep2 < ( ZERO )) or ( nStep2 > ( PI_degrees )) do 
    nStep2 = (recipe.GetRandomSeed ()%(PI_degrees)) 
  end
  return Math.ToRadians ( nStep2 )
end

local function check_score ( bs )
  local cs = current.GetScore ()
  local c  = current.GetScore ()-bs
  if c > 0 then
    print ( 'Gain found: '..cs..'\t+'..c )
    bs = cs
  elseif c < -rthresh then -- are we stuck ?
    recentbest.Restore ()
  end -- test c
  return bs
end

local function GetSeed ()
  local n  = {}
  n.idx    = func ()
  n.Rho    = 3
  n.Theta  = func2()
  n.Phi    = func2()
  return n
end

recipe.GetSeed = GetSeed 

local function AddXBand ( n )
  local bseg = band.Add ( n.idx,1 or 2,2 or 3,n.Rho,n.Theta,n.Phi )
  band.SetGoalLength ( bseg,0.0 )
  band.SetStrength   ( bseg,10.0 )
  return bseg
end

local _gses = New ( current.GetSegmentEnergySubscore )

local function SmartShake ( iters )
  for i=idx,idx2 do
    local ci = _gses ( i,'clashing' )
    if ci >  _gses ( i,'hiding'   ) and
       ci >  _gses ( i,'packing'  ) and
       ci >  _gses ( i,'ideality' ) and
       ci >  _gses ( i,'sidechain') and
       ci >  _gses ( i,'bonding'  ) and
       ci >  _gses ( i,'other'    ) and
       ci >  _gses ( i,'reference') then
      selection.Select ( i )
    end -- test ci
  end -- loop
  if selection.GetCount () then
    structure.ShakeSidechainsSelected ( iters )
    selection.DeselectAll ()
  end
end

band.AddXBand = AddXBand
structure.SmartShake = SmartShake
structure.SmartWiggle = function ( iters )
  structure.WiggleAll ( iters )
  local css = current.GetScore ()
  structure.WiggleAll ( wout2 )
  if current.GetScore ()-css > thresh then
    structure.WiggleAll ( wout3 )
  end
end

local function XBander ()
  structure.SetNote ( 1,str )
  while ( 1 ) do
    cs = check_score ( cs )
    local n = recipe.GetSeed ()
    local bseg = band.AddXBand ( n )
    structure.WiggleBackbone_ ( 1 )
    ui.CenterViewport ()
    band.Delete ( bseg )
    structure.SmartShake ( 1 )
    structure.WiggleSidechains_ ( 1 )
    structure.WiggleAll ( wout )
    cs = check_score ( cs )
  end
end -- XBander ()

--while ( 1 ) do

if ( status == return_value.OK ) then
  xpcall (XBander,cleanup)
end

--end

Comments

[Seagat2011]

Group-related functionality is disabled. Also, some features as yet to be added so please be patient ;)

Your feedback is welcome.

[Seagat2011]

SaveConfigurationOnExit() will save current user configuration to default.xml file

[Seagat2011]

local SSThresh = 1

local function SmartShake ( iters )
  repeat
    for i=idx,idx2 do
      local ci = _gses ( i,'clashing' )
      if ci < _gses ( i,'hiding' ) and
        ci < _gses ( i,'packing' ) and
        ci < _gses ( i,'ideality' ) and
        ci < _gses ( i,'sidechain') and
        ci < _gses ( i,'bonding' ) and
        ci < _gses ( i,'other' ) and
        ci < _gses ( i,'reference') then
        selection.Select ( i )
      end – test ci
    end – loop
    local css = current.GetScore ()
    if selection.GetCount () then
      structure.ShakeSidechainsSelected ( iters )
      selection.DeselectAll ()
    end
  until current.GetScore ()-css < SSThresh
end