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Sourcecode: pymol version File versions

appearance.py

# Warren L. DeLano

from pymol.wizard import Wizard
from pymol import cmd
import pymol

saved_mode = 2 # toggle
saved_scope = 1 # byres
saved_what = 3 # sticks
saved_color = 5 # magenta

class Appearance(Wizard):


   mode_dict = {
      0 : ['Color', '_ cmd.color' ],
      1 : ['Color (elem c)', '_ util.color_carbon' ],
      2 : ['Toggle','_ cmd.toggle'],
      3 : ['Show', '_ cmd.show'],
      4 : ['Hide', '_ cmd.hide'],
      5 : ['Select', '_ cmd.select'],
      }

   what_dict = {
      1 : ['Lines', 'lines'],
      2 : ['Nonbonded', 'nonbonded' ],
      3 : ['Sticks', 'sticks' ],
      4 : ['Ribbon', 'ribbon' ],
      5 : ['Cartoon', 'cartoon' ],
      6 : ['Labels', 'labels' ],
      7 : ['Dots', 'dots' ],
      8 : ['Spheres', 'spheres' ],
      9 : ['NB Spheres', 'nb_spheres' ],
      10: ['Mesh', 'mesh' ],
      11: ['Surface', 'surface' ],
      }

   color_dict = {
      1 : ['\\900red', 'red' ],
      2 : ['\\090green', 'green' ],
      3 : ['\\009blue'  , 'blue' ],
      4 : ['\\990yellow' , 'yellow' ],
      5 : ['\\909magenta', 'magenta' ],
      6 : ['\\099cyan'    ,  'cyan' ],
      7 : ['\\955salmon'   , 'salmon' ],
      8 : ['\\595lime'      , 'lime' ],
      9 : ['\\967pink'  , 'pink' ],
      10 : ['\\559slate' ,  'slate' ],
      11 : ['\\949violet' , 'violet' ],    
      12 : ['\\950orange'  , 'orange' ],
      13 : ['\\059marine'   ,  'marine' ],
      14 : ['\\905hotpink' , 'hotpink' ],
      }

   scope_dict = {
      0: ['By Atom', ''],
      1: ['By Residue', 'byres' ],
      2: ['By Chain', 'bychain' ],
      3: ['By Segment', 'bysegment' ],
      4: ['By Object', 'byobject' ],
      5: ['By Molecule', 'bymol' ],
      }

   def __init__(self):

      cmd.unpick()
      Wizard.__init__(self)
      self.current_mode = saved_mode
      self.current_what = saved_what
      self.current_scope = saved_scope
      self.current_color = saved_color
      self.menu['mode'] = [
         [2, 'Mode', '' ],
         [1, self.mode_dict[0][0], 'cmd.get_wizard().set_mode(0)' ],
         [1, self.mode_dict[1][0], 'cmd.get_wizard().set_mode(1)' ],
         [ 0, ''           , '' ],         
         [1, self.mode_dict[2][0], 'cmd.get_wizard().set_mode(2)' ],
         [1, self.mode_dict[3][0], 'cmd.get_wizard().set_mode(3)' ],
         [1, self.mode_dict[4][0], 'cmd.get_wizard().set_mode(4)' ],
#         [1, self.mode_dict[5][0], 'cmd.get_wizard().set_mode(4)' ],         
         ]

      self.menu['what'] = [
         [2, 'What', '' ],
         [1, self.what_dict[1][0], 'cmd.get_wizard().set_what(1)' ],
         [1, self.what_dict[2][0], 'cmd.get_wizard().set_what(2)' ],
         [1, self.what_dict[3][0], 'cmd.get_wizard().set_what(3)' ],
         [1, self.what_dict[4][0], 'cmd.get_wizard().set_what(4)' ],
         [1, self.what_dict[5][0], 'cmd.get_wizard().set_what(5)' ],
         [0, '', '' ],
         [1, self.what_dict[6][0], 'cmd.get_wizard().set_what(6)' ],
         [0, '', '' ],         
         [1, self.what_dict[7][0], 'cmd.get_wizard().set_what(7)' ],
         [1, self.what_dict[8][0], 'cmd.get_wizard().set_what(8)' ],
         [1, self.what_dict[9][0], 'cmd.get_wizard().set_what(9)' ],
         [0, '', '' ],
         [1, self.what_dict[10][0], 'cmd.get_wizard().set_what(10)' ],
         [1, self.what_dict[11][0], 'cmd.get_wizard().set_what(11)' ],
         ]

      self.menu['color'] = [
         [2, 'Color', '' ],
         [1, self.color_dict[1][0], 'cmd.get_wizard().set_color(1)' ],
         [1, self.color_dict[2][0], 'cmd.get_wizard().set_color(2)' ],
         [1, self.color_dict[3][0], 'cmd.get_wizard().set_color(3)' ],
         [1, self.color_dict[4][0], 'cmd.get_wizard().set_color(4)' ],
         [1, self.color_dict[5][0], 'cmd.get_wizard().set_color(5)' ],
         [1, self.color_dict[6][0], 'cmd.get_wizard().set_color(6)' ],
         [1, self.color_dict[7][0], 'cmd.get_wizard().set_color(7)' ],
         [1, self.color_dict[8][0], 'cmd.get_wizard().set_color(8)' ],
         [1, self.color_dict[9][0], 'cmd.get_wizard().set_color(9)' ],
         [1, self.color_dict[10][0], 'cmd.get_wizard().set_color(10)' ],
         [1, self.color_dict[11][0], 'cmd.get_wizard().set_color(11)' ],
         [1, self.color_dict[12][0], 'cmd.get_wizard().set_color(12)' ],
         [1, self.color_dict[13][0], 'cmd.get_wizard().set_color(13)' ],
         [1, self.color_dict[14][0], 'cmd.get_wizard().set_color(14)' ],         
         ]

      self.menu['scope'] = [
         [ 2, 'Scope', ''],
         [ 1, self.scope_dict[0][0], 'cmd.get_wizard().set_scope(0)' ],
         [ 1, self.scope_dict[1][0], 'cmd.get_wizard().set_scope(1)' ],
         [ 1, self.scope_dict[2][0], 'cmd.get_wizard().set_scope(2)' ],
         [ 1, self.scope_dict[3][0], 'cmd.get_wizard().set_scope(3)' ],
         [ 1, self.scope_dict[4][0], 'cmd.get_wizard().set_scope(4)' ],        
         [ 0, ''           , '' ],
         [ 1, self.scope_dict[5][0], 'cmd.get_wizard().set_scope(5)' ],                 
         ]

   def set_scope(self,scope):
      scope = int(scope)
      if scope in self.scope_dict:
         self.current_scope = scope
      cmd.refresh_wizard()

   def set_what(self,what):
      what = int(what)
      if what in self.what_dict:
         self.current_what = what
      cmd.refresh_wizard()

   def set_color(self,color):
      color = int(color)
      if color in self.color_dict:
         self.current_color = color
      cmd.refresh_wizard()

   def set_mode(self,mode):
      mode = int(mode)
      if mode in self.mode_dict:
         self.current_mode = mode
      cmd.refresh_wizard()

   def undo(self):
      print "no undo!"
      
   def get_prompt(self):
      self.prompt = []
      return self.prompt

   def get_panel(self):
      panel = [
            [ 1, 'Appearance Wizard',''],
            [ 3, self.mode_dict[self.current_mode][0], 'mode' ],
            ]
      if self.current_mode in [0,1]: # color mode
         panel.append(
            [ 3, self.color_dict[self.current_color][0], 'color' ])
      elif self.current_mode in [2,3,4]: # what mode
         panel.append(
         [ 3, self.what_dict[self.current_what][0], 'what' ])
      else: # select mode
         panel.append(
            [ 1, 'Atoms' , '' ])
         
      panel.extend([
            [ 3, self.scope_dict[self.current_scope][0], 'scope' ],
            #         [ 2, 'Undo', 'cmd.get_wizard().undo()' ],
            [ 2, 'Done','cmd.set_wizard()'],
            ])
      return panel
         

   def do_pick(self,bondFlag):
      if self.current_mode in [0,1]: # color
         sele = "(%s pk1)"%self.scope_dict[self.current_scope][1]
         color = self.color_dict[self.current_color][1]
         mode = self.mode_dict[self.current_mode][1]
         cmmd = mode+'("%s","%s")'%(color,sele)
         cmd.do(cmmd,log=0)
      elif self.current_mode in [2,3,4]: # show/hide/toggle
         sele = "(%s pk1)"%self.scope_dict[self.current_scope][1]
         what = self.what_dict[self.current_what][1]
         mode = self.mode_dict[self.current_mode][1]
         cmmd = mode+'("%s","%s")'%(what,sele)
         cmd.do(cmmd,log=0)
      else: # select
         pass
      cmd.unpick()
      cmd.refresh_wizard()
      return 1

   def do_select(self,selection):
      if self.current_mode in [0,1]: # color
         sele = "(%s %s)"%(self.scope_dict[self.current_scope][1],selection)
         color = self.color_dict[self.current_color][1]
         mode = self.mode_dict[self.current_mode][1]
         cmmd = mode+'("%s","%s")'%(color,sele)
         cmd.do(cmmd,log=0)
      elif self.current_mode in [2,3,4]: # show/hide/toggle
         sele = "(%s %s)"%(self.scope_dict[self.current_scope][1],selection)
         what = self.what_dict[self.current_what][1]
         mode = self.mode_dict[self.current_mode][1]
         cmmd = mode+'("%s","%s")'%(what,sele)
         cmd.do(cmmd,log=0)
      cmd.delete(selection)
      cmd.deselect()
      cmd.unpick()
      cmd.refresh_wizard()
      return 1

   def cleanup(self):
      global saved_scope
      saved_scope = self.current_scope
      global saved_mode
      saved_mode = self.current_mode
      global saved_color
      saved_color = self.current_color
      global saved_what
      saved_what = self.current_what

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