Dokk (the dokking game):

- Added new Level (thrombinNoH)
- Added level.ini
- Fixed Overlays

git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@1926 5a81b35b-ba03-0410-adc8-b2c5c5119f08

examples/dokk/datafiles/thrombin/level.ini

+[Level]
+NAME: Thrombin
+DIFFICULTY: Medium
+
+[Intro]
+TEXTTIME: 3000
+TEXTCOLORRED: 255
+TEXTCOLORGREEN: 255
+TEXTCOLORBLUE: 255
+TEXTSIZE: 16
+TEXT_COUNT: 9
+TEXT1: Hallo und herzlich wilkommen zu dokk
+  dem Dokking-Spiel
+TEXTTIME1: 5000
+ 
+TEXT2: Mit diesem Spiel wird Ihnen demonstriert wie ein...
+TEXTTIME2: 1000
+
+TEXT3: Sie knnen mit dem 3D-Input Device den Liganden sowohl drehen als auch verschieben.
+TEXTTIME3: 3000
+ 
+TEXT4: Falls Fragen bestehen, knnen Sie sich gerne an eine unserer Fachkrfte wenden.
+TEXTTIME4: 3000
+
+TEXT5: So nun kann es los gehen.
+TEXTTIME5: 1000
+
+TEXT6: 3
+TEXTTIME6: 1500
+TEXTCOLORRED6: 255
+TEXTCOLORGREEN6: 0
+TEXTCOLORBLUE6: 0
+TEXTSIZE6: 40
+
+TEXT7: 2
+TEXTTIME7: 1500
+TEXTCOLORRED7: 255
+TEXTCOLORGREEN7: 165
+TEXTCOLORBLUE7: 0
+TEXTSIZE7: 70
+
+TEXT8: 1
+TEXTTIME8: 1500
+TEXTCOLORRED8: 255
+TEXTCOLORGREEN8: 255
+TEXTCOLORBLUE8: 0
+TEXTSIZE8: 100
+
+TEXT9: LOS!
+TEXTTIME9: 2000
+TEXTCOLORRED9: 0
+TEXTCOLORGREEN9: 255
+TEXTCOLORBLUE9: 0
+TEXTSIZE9: 130
+
+[Box]
+XMIN:-25
+XMAX:40
+YMIN:-21
+YMAX:25
+ZMIN:-20
+ZMAX:100
+
+[Start]
+POSX:10.0
+POSY:-2.0
+POSZ:60.0
+
+ROTX:-2.0
+ROTY:0.25
+ROTZ:0.3
+
+[Score]
+FRAMESKIP: 20
+
+[Goal]
+RMSD: 0
+SAVE: True

examples/dokk/datafiles/thrombinNoH/ligand.sdf

+2CF8_lig.pdb
+                    3D
+ Structure written by MMmdl.
+ 37 41  0  0  1  0            999 V2000
+    9.4980   -5.9460   27.5040 N   0  3  0  0  0  0
+    9.4020   -5.4570   26.6360 H   0  0  0  0  0  0
+    9.4890   -6.9490   27.5020 H   0  0  0  0  0  0
+    9.6250   -5.2840   28.6420 C   0  0  0  0  0  0
+    9.7480   -5.9950   29.7790 N   0  3  0  0  0  0
+    9.7350   -6.9930   29.7460 H   0  0  0  0  0  0
+    9.8440   -5.5390   30.6640 H   0  0  0  0  0  0
+    9.6200   -3.7970   28.6750 C   0  0  3  0  0  0
+    9.4630   -3.0320   27.5360 C   0  0  0  0  0  0
+    9.4940   -1.6490   27.5650 C   0  0  0  0  0  0
+    9.6340   -0.9640   28.7790 C   0  0  1  0  0  0
+    9.8110   -1.7350   29.9300 C   0  0  0  0  0  0
+    9.8010   -3.1160   29.8900 C   0  0  0  0  0  0
+    9.6470    0.5280   28.7910 C   0  0  2  0  0  0
+   10.3290    1.1380   29.9640 N   0  3  1  0  0  0
+   10.0227    0.6725   30.8064 H   0  0  0  0  0  0
+   11.8150    1.0140   29.8890 C   0  0  0  0  0  0
+   12.3650    2.3960   29.5680 C   0  0  0  0  0  0
+   11.1720    3.2900   29.2380 C   0  0  0  0  0  0
+   10.0050    2.5750   29.9150 C   0  0  1  0  0  0
+    8.6340    2.6510   29.2600 C   0  0  2  0  0  0
+    7.5040    3.1360   30.1890 C   0  0  2  0  0  0
+    6.7170    1.9390   30.4290 N   0  0  0  0  0  0
+    7.2510    0.7830   29.7930 C   0  0  0  0  0  0
+    6.8460   -0.3180   30.0120 O   0  0  0  0  0  0
+    8.2910    1.2400   28.8090 C   0  0  2  0  0  0
+    5.9360    1.7620   31.6750 C   0  0  0  0  0  0
+    4.4810    1.7460   31.2190 C   0  0  3  0  0  0
+    3.8910    0.5760   30.7950 C   0  0  0  0  0  0
+    2.5790    0.5230   30.3430 C   0  0  0  0  0  0
+    1.8460    1.6980   30.3320 C   0  0  3  0  0  0
+    2.4070    2.8920   30.7520 C   0  0  0  0  0  0
+    3.7280    2.9210   31.1930 C   0  0  0  0  0  0
+    6.6140    4.2060   29.5470 C   0  0  0  0  0  0
+    5.9190    3.7520   28.2640 C   0  0  0  0  0  0
+    7.4200    5.4640   29.3380 C   0  0  0  0  0  0
+    0.1500    1.6660   29.7940 Cl  0  0  0  0  0  0
+  1  2  1  0  0  0
+  1  3  1  0  0  0
+  1  4  2  0  0  0
+  4  5  1  0  0  0
+  4  8  1  0  0  0
+  5  6  1  0  0  0
+  5  7  1  0  0  0
+  8  9  2  0  0  0
+  8 13  1  0  0  0
+  9 10  1  0  0  0
+ 10 11  2  0  0  0
+ 11 12  1  0  0  0
+ 11 14  1  0  0  0
+ 12 13  2  0  0  0
+ 14 15  1  0  0  0
+ 14 26  1  0  0  0
+ 15 16  1  0  0  0
+ 15 17  1  0  0  0
+ 15 20  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  1  0  0  0
+ 19 20  1  0  0  0
+ 20 21  1  0  0  0
+ 21 22  1  0  0  0
+ 21 26  1  0  0  0
+ 22 23  1  0  0  0
+ 22 34  1  0  0  0
+ 23 24  1  0  0  0
+ 23 27  1  0  0  0
+ 24 25  2  0  0  0
+ 24 26  1  0  0  0
+ 27 28  1  0  0  0
+ 28 29  2  0  0  0
+ 28 33  1  0  0  0
+ 29 30  1  0  0  0
+ 30 31  2  0  0  0
+ 31 32  1  0  0  0
+ 31 37  1  0  0  0
+ 32 33  2  0  0  0
+ 34 35  1  0  0  0
+ 34 36  1  0  0  0
+M  CHG  3   1   1   5   1  15   1
+M  END
+> <s_m_entry_name>
+lig.1
+
+> <s_m_entry_id>
+1
+
+$$$$

examples/dokk/dokk

 #!/bin/sh
-cat dokk.py | gosty Dokk $@
+cat start_dokk.py | gosty Dokk $@
\ No newline at end of file

examples/dokk/dokk.py

 import glwin
-from ost import io, geom, gfx
 
-from level import Level
+class Dokk(object):
+  def __new__(type, *args):
+    if not '_the_instance' in type.__dict__:
+      type._the_instance = object.__new__(type)
+    return type._the_instance
   
-dokk_win=glwin.DokkGLWin()
+  def __init__(self):
+    if not '_ready' in dir(self):
+      self.gl_win=glwin.DokkGLWin(self)
+      self._ready = True
 
+  def SetLevel(self,level):
+    self.gl_win.SetLevel(level)
+    self.level_ = level
     
-level=Level('thrombin')
-dokk_win.SetLevel(level)
+  def NextLevel(self):
+    self.level_.Close()
+  
+  def GetLevel(self):
+    return self.level_
+  
+  def Start(self, args):
+    self.gl_win.Show(fullscreen=('--fullscreen' in args))
 
-dokk_win.Show(fullscreen=('--fullscreen' in sys.argv))
 

examples/dokk/glwin.py

@@ -6,18 +6,26 @@ from PyQt4.QtOpenGL import *
 import OpenGL.GL as ogl
 
 from spnav_input import SpnavInputDevice
+from hud import HUD
+from hud import HUDObject
 
+
+UPDATE_INTERVAL = 20
 TRANS_VAL = 20
 
 class DokkGLCanvas(QGLWidget):
     
-  def __init__(self, format, parent=None):
+  def __init__(self, format, dokk, parent=None):
     QGLWidget.__init__(self, format, parent)
     self.last_pos_=QPoint()    
     self.setAutoFillBackground(False)
     #self.setAttribute(Qt.WA_KeyCompression,True)
     self.resize(800, 800)
+    self.dokk = dokk
     self.spnav_input = SpnavInputDevice(self)
+    self.update_timer = QTimer()
+    self.update_timer.start(UPDATE_INTERVAL)
+    QObject.connect(self.update_timer, SIGNAL("timeout()"), self.update)
         
   def initializeGL(self):
     gfx.Scene().InitGL()
@@ -31,6 +39,7 @@ class DokkGLCanvas(QGLWidget):
 
   def SetLevel(self, level):
     self.level_=level
+    self.hud = HUD(level)
     self.spnav_input.SetLevel(level)
     
   def paintEvent(self, event):
@@ -39,7 +48,6 @@ class DokkGLCanvas(QGLWidget):
     painter=QPainter(self)
     painter.setRenderHint(QPainter.Antialiasing);
     self.RenderHUD(painter)
-    print "%.3f"%self.level_.GetRMSD()
 
 
   def RenderHUD(self, painter):
@@ -49,6 +57,8 @@ class DokkGLCanvas(QGLWidget):
     painter.setPen(QPen(QColor(255,255,255), Qt.SolidLine))
     painter.setFont(QFont("Verdana"))
     painter.drawText(QPoint(10, 20), "You are %.1f away from the solution" % self.level_.GetRMSD())
+    if self.hud is not None:
+      self.hud.Paint(painter)
       
   def resizeGL(self, w, h):
     gfx.Scene().Resize(w, h)
@@ -117,9 +127,9 @@ class DokkGLWin(gfx.GLWinBase):
       fmt=QGLFormat()
       fmt.setAlpha(True)
       return fmt
-    def __init__(self):
+    def __init__(self,dokk):
         gfx.GLWinBase.__init__(self)
-        self.canvas_=DokkGLCanvas(self._CreateFormat())
+        self.canvas_=DokkGLCanvas(self._CreateFormat(),dokk)
     def DoRefresh(self):
       self.refresh_=True
     def SetLevel(self, level):
@@ -131,3 +141,9 @@ class DokkGLWin(gfx.GLWinBase):
         self.canvas_.show()
     def SetStereo():
       pass
+    
+    def Width(self):
+      return self.canvas_.width()
+    
+    def Height(self):
+      return self.canvas_.height()
\ No newline at end of file

examples/dokk/hud.py

+import math
+import time
+from ost import gfx
+from PyQt4.QtGui import *
+from PyQt4.QtCore import *
+from PyQt4.QtOpenGL import *
+
+class HUD(QObject):
+  def __init__(self, level, parent=None):
+    QObject.__init__(self,parent)
+    self.level = level
+    level.hud = self
+    self.objects = list()
+    
+  def Add(self, hud_object):
+    if hud_object in self.objects:
+      self.objects.remove(hud_object)
+    self.objects.append(hud_object)
+    hud_object.Appended(self)
+    self.emit(SIGNAL('HUDChanged()'))
+
+  def Remove(self, hud_object):
+    if hud_object in self.objects:
+      self.objects.remove(hud_object)
+      self.emit(SIGNAL('HUDChanged()'))
+        
+  def Paint(self, painter):
+    for hud_object in self.objects:
+      hud_object.Paint(painter)
+  
+class HUDObject(QObject):
+  def __init__(self, time, parent=None):
+    QObject.__init__(self, parent)
+    self.time = time
+    self.timer = QTimer()
+    self.timer.setSingleShot(True)
+    self.hud = None
+    QObject.connect(self.timer, SIGNAL("timeout()"), self.Timeout)
+    
+  def Appended(self, hud):
+    self.hud = hud
+    self.timer.start(self.time)
+    self.endtime = float(time.time()+(self.time)/1000.0)
+    
+  def Timeout(self):
+    self.timer.stop()
+    if self.hud is not None:
+      self.hud.Remove(self)
+    self.emit(SIGNAL('Finished()'))
+    
+  def Reset(self):
+    self.timer.stop()
+    if self.hud is not None:
+      self.hud.Add(self)
+    
+class TextHUDObject(HUDObject):
+  def __init__(self, text, pos, time, color=QColor(255,255,255), font=QFont("Verdana"), parent=None):
+    HUDObject.__init__(self,time,parent)
+    self.text = text
+    self.pos = pos
+    self.rect = None
+    self.color = color
+    self.font = font
+  
+  #def __init__(self, text, rect, time, align=Qt.AlignCenter, color=QColor(255,255,255), font=QFont("Verdana"), parent=None):
+   # HUDObject.__init__(self,time,parent)
+    #self.text = text
+    #self.pos = None
+    #self.rect = rect
+    #self.align = align
+    #self.color = color
+    #self.font = font
+    
+  def Paint(self, painter):
+    rem_time = (self.endtime-float(time.time()))*1000.0
+    if rem_time > 0:
+      self.color.setAlpha((rem_time/self.time)*255)
+    painter.setPen(QPen(self.color, Qt.SolidLine))
+    painter.setFont(self.font)
+    if self.pos is not None:
+      painter.drawText(self.pos, self.text)
+    if self.rect is not None:
+      painter.drawText(self.rect, self.align, self.text)
+
+class RectTextHUDObject(HUDObject):
+  def __init__(self, text, rect, time, align=Qt.AlignCenter, color=QColor(255,255,255), font=QFont("Verdana"), parent=None):
+    HUDObject.__init__(self,time,parent)
+    self.text = text
+    self.rect = rect
+    self.align = align
+    self.color = color
+    self.font = font
+    
+  def Paint(self, painter):
+    rem_time = (self.endtime-float(time.time()))*1000.0
+    if rem_time > 0:
+      self.color.setAlpha((rem_time/self.time)*255)
+    painter.setPen(QPen(self.color, Qt.SolidLine))
+    painter.setFont(self.font)
+    painter.drawText(self.rect, self.align, self.text)
+
+class RectHUDObject(HUDObject):
+  def __init__(self, time, rect, fade=False, bg_color=QColor(255,255,255), border_color=QColor(255,255,255), parent=None):
+    HUDObject.__init__(self,time,parent)
+    self.rect = rect
+    self.fade = fade
+    self.bg_color = bg_color
+    self.border_color = border_color
+
+  def Paint(self, painter):
+    rem_time = (self.endtime-float(time.time()))*1000.0
+    if self.fade and rem_time > 0:
+      alpha = (rem_time/self.time)*255
+      self.bg_color.setAlpha(alpha)
+      self.border_color.setAlpha(alpha)
+    painter.setPen(self.border_color)
+    painter.setBrush(self.bg_color)
+    painter.drawRect(self.rect)
+    painter.setPen(QPen(self.border_color, Qt.SolidLine))
\ No newline at end of file

examples/dokk/level.py

@@ -5,11 +5,17 @@ from surface import Surface
 from protein import Protein
 from score_updater import ScoreUpdater
 from config import Config
+from dokk import Dokk
+from level_intro import LevelIntro
 
 class Level:
   def __init__(self, name):
     self.name_=name
     self.Load()
+    self.hud = None
+    dokk = Dokk()
+    self.li = LevelIntro(self)
+        
   def Load(self):
     level_dir=os.path.join('datafiles', self.name_)
     self.config = Config(os.path.join(level_dir, 'level.ini'))
@@ -28,6 +34,7 @@ class Level:
     
   def RotateAxis(self, axis, angle):
     self.ligand.RotateAxis(axis, angle)
+    
   def SetPivot(self, x, y):
     v1=gfx.Scene().UnProject(geom.Vec3(x, y, 0.0));
     v2=gfx.Scene().UnProject(geom.Vec3(x, y, 1.0));    
@@ -57,3 +64,14 @@ class Level:
     gfx.Scene().SetCenter(self.surface.go.GetCenter())
     gfx.Scene().RequestRedraw()
     self.su.UpdateScores()
+    
+  def AddHUDObject(self, hud_object):
+    self.hud.Add(hud_object)
+    
+  def Begin(self):
+    self.li.Start()
+    
+  def Close(self):
+    self.surface.Close()
+    self.protein.Close()
+    self.ligand.Close()
\ No newline at end of file

examples/dokk/level_intro.py

+from PyQt4 import QtCore, QtGui
+from dokk import Dokk
+from hud import TextHUDObject
+from hud import RectHUDObject
+from hud import RectTextHUDObject
+class LevelIntro(QtCore.QObject):
+  def __init__(self, level, parent=None):
+    QtCore.QObject.__init__(self,parent)
+    self.level = level
+    text_count = int(level.config.Intro["TEXT_COUNT"])
+    self.text_list = list()
+    default_time = int(level.config.Intro["TEXTTIME"])
+    default_color = QtGui.QColor(int(level.config.Intro["TEXTCOLORRED"]),
+                                 int(level.config.Intro["TEXTCOLORGREEN"]),
+                                 int(level.config.Intro["TEXTCOLORBLUE"]))
+    default_size = int(level.config.Intro["TEXTSIZE"])
+    self.total_time = 0
+    for i in range(1,text_count+1):
+      try:
+        time = int(level.config.Intro["TEXTTIME%s"%i])
+      except:
+        time = default_time
+      try:
+        color = QtGui.QColor(int(level.config.Intro["TEXTCOLORRED%s"%i]),
+                                 int(level.config.Intro["TEXTCOLORGREEN%s"%i]),
+                                 int(level.config.Intro["TEXTCOLORBLUE%s"%i]))
+      except:
+        color = default_color
+      try:
+        size = int(level.config.Intro["TEXTSIZE%s"%i])
+      except:
+        size = default_size
+      self.text_list.append([level.config.Intro["TEXT%s"%i], time, color, size])
+      self.total_time += time
+        
+    self.cur_text = 0
+
+  def Start(self):
+    dokk = Dokk()
+    font = QtGui.QFont("Verdana", 15);
+    rect = QtCore.QRect(QtCore.QPoint(60, 60), QtCore.QSize(dokk.gl_win.Width()-120, dokk.gl_win.Height()-120))
+    self.text = RectTextHUDObject(text="", rect=rect, time=0, font=font)
+    QtCore.QObject.connect(self.text, QtCore.SIGNAL("Finished()"), self.NextMessage)
+    self.bg = RectHUDObject(self.total_time,rect, bg_color=QtGui.QColor(128,128,128,200))
+    self.level.AddHUDObject(self.bg)
+    self.level.AddHUDObject(self.text)
+    
+  def Reset(self):
+    self.cur_text = 0
+    
+  def NextMessage(self):
+    if self.cur_text >=0 and self.cur_text < len(self.text_list):
+      dokk = Dokk()
+      self.text.text=self.text_list[self.cur_text][0]
+      self.text.time=self.text_list[self.cur_text][1]
+      self.text.color=self.text_list[self.cur_text][2]
+      self.text.font.setPointSize(self.text_list[self.cur_text][3])
+      self.text.Reset()
+      print (dokk.gl_win.Width()/2.0) - (len(self.text.text)*10)
+    else:
+      self.cur_text = -1
+    self.cur_text+=1
\ No newline at end of file

examples/dokk/ligand.py

@@ -50,7 +50,7 @@ class Ligand:
       edi.ApplyTransform(trans)
       self.go.UpdatePositions()
   
-  def SetTF(self, tf):
+  def ApplyTF(self, tf):
     edi=self.handle.RequestXCSEditor()
     rot = geom.Mat4(tf.GetRot())
     trans=geom.Mat4()
@@ -68,11 +68,6 @@ class Ligand:
     edi.ApplyTransform(full_tf)
     self.go.UpdatePositions()
 
-  def UpdateScores(self):
-    for a in self.b.view.atoms:
-      score=qa.ClashScore(a.handle, self.a.view)
-      a.SetGenericFloatProperty('clash', score)
-
   def RMSDToSolution(self):
     return alg.CalculateRMSD(self.handle.CreateFullView(), 
                              self.the_solution_)
@@ -96,6 +91,10 @@ class Ligand:
       self.RotateAxis(geom.Vec3(0,0,1), float(self.config.start["ROTZ"]))
       self.go.UpdatePositions()
     
+  def Close(self):
+    gfx.Scene().Remove(self.go)
+    del(self.go)
+    
   def __IsInside(self, vec):
     if vec[0]< self.box_max[0] and vec[0]> self.box_min[0] and \
      vec[1]< self.box_max[1] and vec[1]> self.box_min[1] and \

examples/dokk/protein.py

@@ -6,3 +6,7 @@ class Protein:
       a.SetGenericFloatProperty('clash', 0.0)    
     self.prot_go_=gfx.Entity("Prot", self.handle)
     gfx.Scene().Add(self.prot_go_)
+    
+  def Close(self):
+    gfx.Scene().Remove(self.prot_go_)
+    del(self.prot_go_)
\ No newline at end of file

examples/dokk/spnav_input.py

 from PyQt4 import QtCore, QtGui
-
+from hud import TextHUDObject
 from ost import mol, geom, gfx, gui
 
 DEFAULT_REFRESHRATE = 30
@@ -21,6 +21,10 @@ class SpnavInputDevice(QtCore.QObject):
     self.score_scip = 0
   def SetLevel(self, level):
     self.level=level
+    self.trans_hud = TextHUDObject("Translation Enabled: %s"%self.trans, QtCore.QPoint(10,50), 0)
+    self.rot_hud = TextHUDObject("Rotation Enabled: %s"%self.rot, QtCore.QPoint(10,70), 0)
+    self.level.AddHUDObject(self.trans_hud)
+    self.level.AddHUDObject(self.rot_hud)
     try:
       self.refresh_rate_ = int(level.config.Score["FRAMESKIP"])
     except:
@@ -39,28 +43,33 @@ class SpnavInputDevice(QtCore.QObject):
         transf.ApplyXAxisRotation(rx/480.0)
         transf.ApplyYAxisRotation(ry/480.0)
         transf.ApplyZAxisRotation(rz/480.0)
-      ligand.SetTF(transf)
+      ligand.ApplyTF(transf)
       if self.score_scip >= self.refresh_rate_:
         self.level.UpdateScores()
         self.score_scip = 0
       self.score_scip += 1
       gfx.Scene().RequestRedraw()
-      self.gfx_win.update()
 
   def ToggleInputMode(self, button):
     print button
     if button == 0:
       self.trans = not self.trans
-      print "Translation Enabled:",self.trans
+      self.trans_hud.text= "Translation Enabled: %s"%self.trans
+      self.trans_hud.time = 2000
+      self.trans_hud.Reset()
     elif button == 1:
       self.rot = not self.rot
-      print "Rotation Enabled:",self.rot
+      self.rot_hud.text= "Rotation Enabled: %s"%self.rot
+      self.rot_hud.time = 2000
+      self.rot_hud.Reset()
+    elif button == 2:
+      self.level.Begin()
+    elif button == 4:
+      Dokk().NextLevel()
     elif button == 6:
       QtGui.QApplication.exit()
     elif button == 10:
       self.level.Reset()
-      self.gfx_win.update()
     elif button == 11:
       self.level.Solve()
-      self.gfx_win.update()
     

examples/dokk/start_dokk.py

+from level import Level
+from dokk import Dokk
+dokk=Dokk()
+dokk.SetLevel(Level('thrombin'))
+dokk.Start(sys.argv)
+

examples/dokk/surface.py

@@ -11,3 +11,7 @@ class Surface:
     grad.SetColorAt(0.7, gfx.Color(1.0, 1.0, 0.0))
     grad.SetColorAt(1.0, gfx.Color(1.0, 0.0, 0.0))    
     self.go.ColorBy('clash', grad, 0.0, 10.0, mol.Prop.Level.ATOM)        
+
+  def Close(self):
+    gfx.Scene().Remove(self.go)
+    del(self.go)
\ No newline at end of file