From ee1fddd4dffe32793680fc3e1cabdb714b15968e Mon Sep 17 00:00:00 2001
From: niklaus johner <njohner@kb-satre.pz.unibas.ch>
Date: Tue, 5 Aug 2014 18:34:49 +0200
Subject: [PATCH] Replaced the trajectory widget by a more fancy version
---
modules/gui/pymod/CMakeLists.txt | 2 +-
modules/gui/pymod/__init__.py | 1 +
modules/gui/pymod/traj.py | 143 ----------
modules/gui/pymod/trajectory_viewer.py | 357 +++++++++++++++++++++++++
4 files changed, 359 insertions(+), 144 deletions(-)
delete mode 100644 modules/gui/pymod/traj.py
create mode 100644 modules/gui/pymod/trajectory_viewer.py
diff --git a/modules/gui/pymod/CMakeLists.txt b/modules/gui/pymod/CMakeLists.txt
index 87a9c6337..3c9e13e8a 100644
--- a/modules/gui/pymod/CMakeLists.txt
+++ b/modules/gui/pymod/CMakeLists.txt
@@ -79,7 +79,7 @@ set(OST_GUI_PYMOD_MODULES
init_menubar.py
init_spacenav.py
init_splash.py
- traj.py
+ trajectory_viewer.py
helpwidget.py
table.py
gosty_startup.py
diff --git a/modules/gui/pymod/__init__.py b/modules/gui/pymod/__init__.py
index 784891690..ce813e7ef 100644
--- a/modules/gui/pymod/__init__.py
+++ b/modules/gui/pymod/__init__.py
@@ -16,6 +16,7 @@
# along with this library; if not, write to the Free Software Foundation, Inc.,
# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
#------------------------------------------------------------------------------
+import ost.gui.trajectory_viewer
from _ost_gui import *
import sip
diff --git a/modules/gui/pymod/traj.py b/modules/gui/pymod/traj.py
deleted file mode 100644
index 1fcb1c779..000000000
--- a/modules/gui/pymod/traj.py
+++ /dev/null
@@ -1,143 +0,0 @@
-#-------------------------------------------------------------------------------
-# This file is part of the OpenStructure project <www.openstructure.org>
-#
-# Copyright (C) 2008-2011 by the OpenStructure authors
-#
-# This library is free software; you can redistribute it and/or modify it under
-# the terms of the GNU Lesser General Public License as published by the Free
-# Software Foundation; either version 3.0 of the License, or (at your option)
-# any later version.
-# This library 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 Lesser General Public License for more
-# details.
-#
-# You should have received a copy of the GNU Lesser General Public License
-# along with this library; if not, write to the Free Software Foundation, Inc.,
-# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
-#-------------------------------------------------------------------------------
-from PyQt4.QtCore import *
-from PyQt4.QtGui import *
-from ost import *
-
-class TrajWidget(QWidget):
- def __init__(self, traj=None, render_mode=gfx.SIMPLE, sel='', parent=None):
- QWidget.__init__(self, parent, Qt.Tool)
- self.render_mode=render_mode
- vb=QVBoxLayout()
- hb=QHBoxLayout()
- hb2=QHBoxLayout()
- self.selection=sel
- self.callback=None
- self._slider=QSlider(self)
- self._slider.setOrientation(Qt.Horizontal)
- self._speed_slider=QSlider(self)
- self._speed_slider.setOrientation(Qt.Horizontal)
- self._play=QToolButton(self)
- self._repeat=QCheckBox(self)
- self._frame=QLabel(self)
- self._frameNo=QLabel(self)
- self._frameEnd=QLabel(self)
- self._repeat.setText('Repeat')
- self._slider.setTracking(True)
- self._play.setText('Play')
- self._play.setCheckable(True)
- self._frame.setText('Frame: ')
- self._frameNo.setNum(0)
- self._frameNo.setAlignment(Qt.AlignRight)
- self._frameEnd.setText('/ '+ str(traj.GetFrameCount()-1))
- self._frameEnd.setAlignment(Qt.AlignLeft)
- self._speed_slider.setTracking(True)
- self._speed_slider.setRange(-1000,-1)
- self._speed_slider.value=-100
- hb.addWidget(self._play)
- hb.addWidget(self._repeat)
- hb2.addWidget(self._frame)
- hb2.addWidget(self._frameNo)
- hb2.addWidget(self._frameEnd)
- hb2.addWidget(self._speed_slider)
- self.setLayout(vb)
- vb.addLayout(hb)
- vb.addWidget(self._slider)
- vb.addLayout(hb2)
- self.traj=traj
- self.time=1
- QObject.connect(self._play, SIGNAL('toggled(bool)'),
- self._TogglePlay)
- QObject.connect(self._slider, SIGNAL('valueChanged(int)'),
- self._SliderValueChanged)
- QObject.connect(self._speed_slider,SIGNAL('valueChanged(int)'),self._SpeedSliderValChanged)
-
- def _SpeedSliderValChanged(self,speed_pos):
- self.time=-speed_pos
- if self._play.isChecked():
- self._TogglePlay(False)
- self._TogglePlay(True)
-
- def _SetTime(self,t):
- self.time=t
- self._speed_slider.setSliderPosition(-t)
- if self._play.isChecked():
- self._TogglePlay(False)
- self._TogglePlay(True)
-
- def _SliderValueChanged(self, pos):
- self.current_frame=pos
- self._traj.CopyFrame(self.current_frame)
- self.gfx_entity.UpdatePositions()
-
- def _GetCurrentFrame(self):
- return self._slider.sliderPosition()
-
- def _SetCurrentFrame(self, pos):
- if self._slider.maximum()<pos:
- if self._repeat.isChecked():
- pos=0
- else:
- pos=self._slider.maximum()
- self._slider.setSliderPosition(pos)
- self._frameNo.setNum(pos)
-
- current_frame=property(_GetCurrentFrame, _SetCurrentFrame)
-
- def timerEvent(self, event):
- self.gfx_entity.BlurSnapshot()
- self.current_frame+=1
- if self.callback:
- self.callback(self.gfx_entity)
- self.gfx_entity.UpdatePositions()
-
- def _TogglePlay(self, playing):
- if playing:
- self.timer_id_=self.startTimer(self.time)
- else:
- self.killTimer(self.timer_id_)
-
- def _SetTraj(self, traj):
- self._traj=traj
- if self._traj:
- ev=traj.GetEntity()
- self.gfx_entity=gfx.Entity("mol",self.render_mode,
- ev.Select(self.selection))
- gfx.Scene().Add(self.gfx_entity)
- gfx.Scene().CenterOn(self.gfx_entity)
- # enable the blur effect
- #self.gfx_entity.SetBlur(True)
- self._slider.setMinimum(0)
- self._slider.setMaximum(self._traj.GetFrameCount()-1)
- self._slider.setSliderPosition(0)
- else:
- if self._traj:
- del self._anim
- self._traj=None
- def _SetBlur(self, blur):
- self.gfx_entity.SetBlur(blur)
-
- def _GetBlur(self):
- return self.gfx_entity.GetBlur()
-
- def _GetTraj(self):
- return self._traj
-
- blur=property(_GetBlur, _SetBlur)
- traj=property(_GetTraj, _SetTraj)
diff --git a/modules/gui/pymod/trajectory_viewer.py b/modules/gui/pymod/trajectory_viewer.py
new file mode 100644
index 000000000..0741f98fb
--- /dev/null
+++ b/modules/gui/pymod/trajectory_viewer.py
@@ -0,0 +1,357 @@
+"""
+This module defines a widget used for visualization of trajectories.
+
+"""
+
+__all__=('TrajWidget','SetTimeUnit','AddTrajectory','RemoveTrajectory','SetSpeed','ReleaseGfxEntity','FixGfxEntity')
+
+#-------------------------------------------------------------------------------
+# This file is part of the OpenStructure project <www.openstructure.org>
+#
+# Copyright (C) 2008-2011 by the OpenStructure authors
+#
+# This library is free software; you can redistribute it and/or modify it under
+# the terms of the GNU Lesser General Public License as published by the Free
+# Software Foundation; either version 3.0 of the License, or (at your option)
+# any later version.
+# This library 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 Lesser General Public License for more
+# details.
+#
+# You should have received a copy of the GNU Lesser General Public License
+# along with this library; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
+#-------------------------------------------------------------------------------
+#from PyQt4.QtCore import *
+#from PyQt4.QtGui import *
+import PyQt4 as _PyQt4
+from PyQt4.QtCore import Qt as _Qt
+from PyQt4.QtCore import QObject as _QObject
+from PyQt4.QtGui import QWidget as _QWidget
+from PyQt4.QtGui import QLabel as _QLabel
+from PyQt4.QtGui import QPushButton as _QPushButton
+from PyQt4.QtCore import SIGNAL as _SIGNAL
+from PyQt4.QtCore import QString as _QString
+import ost as _ost
+import math as _math
+
+
+class TrajWidget(_QWidget):
+ def __init__(self, trajlist=None, golist=None, parent=None,ref_index=0):
+ _QWidget.__init__(self, parent, _Qt.Tool)
+ self.setFocusPolicy(_Qt.ClickFocus)
+ self.ref_index_=ref_index
+ self.trajlist_=trajlist
+ self.golist_=golist
+ self.ehlist_=[go.GetView().handle for go in self.golist_]
+ self.index_dict={}
+ self.fix_dict={}
+ self.modifiers=None
+ for i,go in enumerate(self.golist_):
+ self.index_dict[go.name]=i
+ vb=_PyQt4.QtGui.QVBoxLayout()
+ hb=_PyQt4.QtGui.QHBoxLayout()
+ hb1=_PyQt4.QtGui.QHBoxLayout()
+ hb2=_PyQt4.QtGui.QHBoxLayout()
+ hb3=_PyQt4.QtGui.QHBoxLayout()
+ hb4=_PyQt4.QtGui.QHBoxLayout()
+ self.callback=None
+ self._slider=_PyQt4.QtGui.QSlider(self)
+ self._slider.setOrientation(_Qt.Horizontal)
+ self._speed_slider=_PyQt4.QtGui.QSlider(self)
+ self._speed_slider.setOrientation(_Qt.Horizontal)
+ self._speedLabel=_QLabel(self)
+ self._speedLabel.setText('Speed:')
+ self._speedLabel.setAlignment(_Qt.AlignLeft)
+ self._play=_PyQt4.QtGui.QToolButton(self)
+ self._repeat=_PyQt4.QtGui.QCheckBox(self)
+ self._frame=_QLabel(self)
+ self._frameNo=_QLabel(self)
+ self._frameEnd=_QLabel(self)
+ self._repeat.setText('Repeat')
+ self._slider.setTracking(True)
+ self._play.setText('Play')
+ self._play.setCheckable(True)
+ self._frame.setText('Frame: ')
+ self._frameNo.setNum(0)
+ self._frameNo.setAlignment(_Qt.AlignRight)
+ self._frameEnd.setAlignment(_Qt.AlignLeft)
+ self._timeLabel=_QLabel(self)
+ self._timeNo=_QLabel(self)
+ self._timeEnd=_QLabel(self)
+ self._timeUnit=_QLabel(self)
+ self._timeLabel.setText('Time: ')
+ self._timeNo.setNum(0)
+ self._timeNo.setAlignment(_Qt.AlignRight)
+ self._timeEnd.setAlignment(_Qt.AlignLeft)
+ self._timeUnit.setAlignment(_Qt.AlignLeft)
+ self._speed_slider.setTracking(True)
+ self._speed_slider_min=-50
+ self._speed_slider_max=-10
+ self._speed_slider.setRange(self._speed_slider_min,self._speed_slider_max)
+ self._right_arrow=_QPushButton(">")
+ self._right_arrow2=_QPushButton(">>")
+ self._right_end=_QPushButton(">|")
+ self._left_arrow=_QPushButton("<")
+ self._left_arrow2=_QPushButton("<<")
+ self._left_end=_QPushButton("|<")
+ self._align_selection=_PyQt4.QtGui.QLineEdit()
+ self._align=_QPushButton("Align")
+ self._align_label=_QLabel(self)
+ self._align_label.setText('Selection:')
+ self._ref_entity_selection=_PyQt4.QtGui.QComboBox()
+ for go in self.golist_:self._ref_entity_selection.addItem(go.name)
+ self._ref_entity_selection_label=_QLabel(self)
+ self._ref_entity_selection_label.setText('Ref. Entity:')
+ hb.addWidget(self._play)
+ hb.addWidget(self._repeat)
+ hb.addWidget(self._ref_entity_selection_label)
+ hb.addWidget(self._ref_entity_selection)
+ hb1.addWidget(self._left_end)
+ hb1.addWidget(self._left_arrow2)
+ hb1.addWidget(self._left_arrow)
+ hb1.addWidget(self._right_arrow)
+ hb1.addWidget(self._right_arrow2)
+ hb1.addWidget(self._right_end)
+ hb2.addWidget(self._frame)
+ hb2.addWidget(self._frameNo)
+ hb2.addWidget(self._frameEnd)
+ hb2.addWidget(self._timeLabel)
+ hb2.addWidget(self._timeNo)
+ hb2.addWidget(self._timeEnd)
+ hb2.addWidget(self._timeUnit)
+ hb3.addWidget(self._speedLabel)
+ hb3.addWidget(self._speed_slider)
+ hb4.addWidget(self._align_label)
+ hb4.addWidget(self._align_selection)
+ hb4.addWidget(self._align)
+ self.setLayout(vb)
+ vb.addLayout(hb)
+ vb.addLayout(hb1)
+ vb.addWidget(self._slider)
+ vb.addLayout(hb2)
+ vb.addLayout(hb3)
+ vb.addLayout(hb4)
+ self._SetSpeedSliderPos(self._speed_slider_min+0.5*(self._speed_slider_max-self._speed_slider_min))
+ _QObject.connect(self._play, _SIGNAL('toggled(bool)'),
+ self._TogglePlay)
+ _QObject.connect(self._slider, _SIGNAL('valueChanged(int)'),
+ self._SliderValueChanged)
+ _QObject.connect(self._speed_slider,_SIGNAL('valueChanged(int)'),self._SpeedSliderValChanged)
+ _QObject.connect(self._right_end,_SIGNAL('clicked()'),self._RightEndClicked)
+ _QObject.connect(self._right_arrow2,_SIGNAL('clicked()'),self._Right2Clicked)
+ _QObject.connect(self._right_arrow,_SIGNAL('clicked()'),self._RightClicked)
+ _QObject.connect(self._left_arrow2,_SIGNAL('clicked()'),self._Left2Clicked)
+ _QObject.connect(self._left_arrow,_SIGNAL('clicked()'),self._LeftClicked)
+ _QObject.connect(self._left_end,_SIGNAL('clicked()'),self._LeftEndClicked)
+ _QObject.connect(self._align, _SIGNAL('clicked()'), self._AlignClicked)
+ _QObject.connect(self._ref_entity_selection, _SIGNAL('currentIndexChanged(int)'), self._EntitySelected)
+ self._slider.setMinimum(0)
+ self.frame_number_=self.traj_.GetFrameCount()-1
+ self.timestep_=self.traj_.GetDelta()
+ self.SetTimeUnit('ns')
+ self.SetReferenceIndex(0)
+
+ def _p2u(self,u):
+ if u=="s":
+ return 1.0e-12
+ elif u=="ms":
+ return 1.0e-9
+ elif u=="us":
+ return 1.0e-6
+ elif u=="ns":
+ return 1.0e-3
+ elif u=="ps":
+ return 1.0
+ elif u=="fs":
+ return 1.0e3
+ raise RuntimeError("expected one of s,ms,us,ns,ps or fs for unit")
+
+ def SetTimeUnit(self,u):
+ self._time_prefactor=self._p2u(u)
+ self._timeEnd.setText('/ '+ str((self.frame_number_-1)*self.timestep_*self._time_prefactor))
+ self._timeNo.setNum(self.current_frame*self.timestep_*self._time_prefactor)
+ self._timeUnit.setText('['+u+']')
+
+ def _SetSpeedSliderPos(self,pos):
+ self._speed_slider.setSliderPosition(pos)
+ self._SpeedSliderValChanged(pos)
+
+ def _SpeedSliderValChanged(self,speed_pos):
+ self.time=_math.exp(-0.15*speed_pos)
+ if self._play.isChecked():
+ self._TogglePlay(False)
+ self._TogglePlay(True)
+
+ def _SetTime(self,t):
+ self.time=t
+ self._speed_slider.setSliderPosition(-1./0.15*_math.log(t))
+ if self._play.isChecked():
+ self._TogglePlay(False)
+ self._TogglePlay(True)
+
+
+ def _SliderValueChanged(self, pos):
+ self.current_frame=pos
+ for traj,go in zip(self.trajlist_,self.golist_):
+ if go.name in self.fix_dict:continue
+ traj.CopyFrame(self.current_frame)
+ go.UpdatePositions()
+
+ def _GetCurrentFrame(self):
+ return self._slider.sliderPosition()
+
+ def _SetCurrentFrame(self, pos):
+ if self._slider.maximum()<pos:
+ if self._repeat.isChecked():
+ pos=0
+ else:
+ pos=self._slider.maximum()
+ self._slider.setSliderPosition(pos)
+ self._frameNo.setNum(pos)
+ self._timeNo.setNum(pos*self.timestep_*self._time_prefactor)
+
+ current_frame=property(_GetCurrentFrame, _SetCurrentFrame)
+
+ def _GetReferenceTraj(self):
+ return self.trajlist_[self.ref_index_]
+ traj_=property(_GetReferenceTraj)
+
+ def timerEvent(self, event):
+ #if self.callback:
+ # self.callback(self.golist_)
+ self.current_frame+=1
+ for go in self.golist_:
+ if go.name in self.fix_dict:continue
+ go.BlurSnapshot()
+ go.UpdatePositions()
+
+ def _TogglePlay(self, playing):
+ if playing:
+ self.timer_id_=self.startTimer(self.time)
+ else:
+ self.killTimer(self.timer_id_)
+
+ def _LeftClicked(self):
+ if self.current_frame>0:
+ self.current_frame-=1
+
+ def _RightClicked(self):
+ if self.current_frame<self.frame_number_-1:
+ self.current_frame+=1
+
+ def _Left2Clicked(self):
+ if self.current_frame>=10:
+ self.current_frame-=10
+
+ def _Right2Clicked(self):
+ if self.current_frame<self.frame_number_-10:
+ self.current_frame+=10
+
+ def _LeftEndClicked(self):
+ if self.current_frame>0:
+ self.current_frame=0
+
+ def _RightEndClicked(self):
+ if self.current_frame<self.frame_number_-1:
+ self.current_frame=self.frame_number_-1
+
+ def _AlignClicked(self):
+ ref_eh=self.ehlist_[self.ref_index_]
+ ref_v=ref_eh.Select(str(self._align_selection.text()))
+ if ref_v.GetAtomCount()<=3:
+ print 'not enough atoms for alignment'
+ return
+ for i,t,eh in zip(range(len(self.trajlist_)),self.trajlist_,self.ehlist_):
+ t=_ost.mol.alg.SuperposeFrames(t,eh.Select(str(self._align_selection.text())),ref_v)
+ self.trajlist_[i]=t
+
+ def _SetBlur(self, blur):
+ for go in self.golist_:
+ go.SetBlur(blur)
+
+ def _GetBlur(self):
+ return self.gfx_entity.GetBlur()
+
+ blur=property(_GetBlur, _SetBlur)
+
+ def SetReferenceIndex(self,ref_index):
+ if type(ref_index)==type(''):
+ self.ref_index_=self.index_dict[ref_index]
+ else:
+ self.ref_index_=ref_index
+ self.frame_number_=self.traj_.GetFrameCount()
+ self.timestep_=self.traj_.GetDelta()
+ self._slider.setMaximum(self.frame_number_-1)
+ self._frameEnd.setText('/ '+ str(self.frame_number_-1))
+ self._timeEnd.setText('/ '+ str((self.frame_number_-1)*self.timestep_*self._time_prefactor))
+ self._ref_entity_selection.setCurrentIndex(self.ref_index_)
+
+ def _EntitySelected(self,index):
+ ref_index=self.index_dict[str(self._ref_entity_selection.currentText())]
+ self.SetReferenceIndex(ref_index)
+
+ def keyPressEvent(self, event):
+ key=event.key()
+ if event.modifiers()==_Qt.ControlModifier:
+ self.modifiers=event.modifiers()
+ if self.modifiers==_Qt.ControlModifier:
+ if key==_Qt.Key_Left:
+ self._Left2Clicked()
+ elif key==_Qt.Key_Right:
+ self._Right2Clicked()
+ else:
+ if key==_Qt.Key_Left:
+ self._LeftClicked()
+ elif key==_Qt.Key_Right:
+ self._RightClicked()
+ elif key==_Qt.Key_Space:
+ self._play.setChecked(not self._play.isChecked())
+ else:
+ _QWidget.keyPressEvent(self, event)
+
+ def keyReleaseEvent(self, event):
+ if event.key()==_Qt.Key_Control:
+ self.modifiers=None
+ else:
+ _QWidget.keyPressEvent(self, event)
+
+ def FixGfxEntity(self,index,frame_number=None):
+ if not frame_number:frame_number=self.current_frame
+ if type(index)==type(''):
+ self.fix_dict[index]=frame_number
+ i=self.index_dict[index]
+ else:
+ i=index
+ self.fix_dict[self.golist_[i].name]=frame_number
+ self.trajlist_[i].CopyFrame(frame_number)
+ self.golist_[i].UpdatePositions()
+
+ def ReleaseGfxEntity(self,index):
+ if type(index)==type(''):self.fix_dict.pop(index)
+ else:self.fix_dict.pop(self.golist_[index].name)
+
+ def AddTrajectory(self,traj,go):
+ self.trajlist_.append(traj)
+ self.golist_.append(go)
+ self.ehlist_.append(go.GetView().handle)
+ self.index_dict[go.name]=len(self.golist_)-1
+
+ def RemoveTrajectory(self,index):
+ if type(index)==type(''):
+ index=self.index_dict[index]
+ self.trajlist_.pop(index)
+ self.golist_.pop(index)
+ self.ehlist_.pop(index)
+
+ def SetSpeed(self,val):
+ #Value should be between 0 and 1
+ if not (val<=1. and val >=0.):
+ print 'Speed should be set between 0 and 1'
+ return
+ else:
+ val=self._speed_slider_min-val*(self._speed_slider_min-self._speed_slider_max)
+ self._SetSpeedSliderPos(val)
+ print val
+
--
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