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Merge pull request #14 from schenc3/walcob/server
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Walcob/server
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@walcob
walcob authored Aug 3, 2016
2 parents 4a06105 + eb566da commit 1c950d1
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Showing 16 changed files with 403 additions and 110 deletions.
34 changes: 28 additions & 6 deletions InteractiveROSETTA/scripts/constraints.py
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Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,8 @@ class ConstraintPanel(wx.lib.scrolledpanel.ScrolledPanel):

def __init__(self, parent,minPanel):
# print 'creating constraint panel'
wx.lib.scrolledpanel.ScrolledPanel.__init__(self,parent,-1,size=(1000,1000))
wx.lib.scrolledpanel.ScrolledPanel.__init__(self,parent,-1,size=(800,500))
self.parent = parent
self.minPanel = minPanel
# print 'Panel initialized'
#sizer
Expand All @@ -37,7 +38,7 @@ def __init__(self, parent,minPanel):
# print 'load button'
self.Cancelables = []
self.CurrentConstraint = {}
self.ConstraintSet = []
# self.ConstraintSet = self.minPanel.ConstraintSet

#Remove Constraint Button
self.DelBtn = wx.Button(self,-1,label="Delete Constraint")
Expand Down Expand Up @@ -86,6 +87,9 @@ def __init__(self, parent,minPanel):
self.Layout()
# print 'grid created'

# print self.minPanel.ConstraintSet
for [pdb,pindx,cst] in self.minPanel.ConstraintSet:
self.addToGrid("%s: %s"%(pdb,cst))
#Scrolling
self.SetupScrolling()
# print 'scrolling'
Expand All @@ -109,13 +113,15 @@ def DelConstraint(self,event):
logInfo("Delete Constraint button pushed!")
row = self.selectdr
# print row
self.ConstraintSet.pop(row)
# self.ConstraintSet.pop(row)
self.minPanel.ConstraintSet.pop(row)
self.constraintsGrid.DeleteRows(row,1)
# print self.ConstraintSet

def ClearConstraints(self,event):
logInfo("Clear Constraints button pushed!")
self.ConstraintSet = []
# self.ConstraintSet = []
self.minPanel.ConstraintSet = []
self.constraintsGrid.DeleteRows(0,self.constraintsGrid.NumberRows)

def setSeqWin(self,seqWin):
Expand Down Expand Up @@ -170,19 +176,22 @@ def addConstraint(self,event):
self.Sizer.Add(self.PdbMenu,(1,1),(1,1))
self.Layout()


#Constraint Function
self.FuncMenu = wx.ComboBox(self,-1,choices=["Select Constraint Function","Harmonic","Circular Harmonic"],style=wx.CB_READONLY)
self.FuncMenu.SetSelection(0)
# self.FuncMenu.Bind(wx.EVT_COMBOBOX,self.setFunction)
self.Sizer.Add(self.FuncMenu,(1,2),(1,1))
self.Layout()

self.Cancelables.append(self.FuncMenu)

#Next Button
self.NextBtn = wx.Button(self,-1,label='Confirm')
self.NextBtn.Bind(wx.EVT_BUTTON,self.Next)
self.Sizer.Add(self.NextBtn,(1,3),(1,1))
self.Layout()

self.Cancelables.append(self.NextBtn)
# print 'pdbmenu'
#self.Layout()
Expand All @@ -193,6 +202,7 @@ def addConstraint(self,event):
self.Sizer.Add(self.CancelBtn,(5,2),(1,1))
self.Cancelables.append(self.CancelBtn)
self.Layout()

self.SetupScrolling()

def Next(self,event):
Expand All @@ -207,7 +217,6 @@ def Next(self,event):
for item in [self.PdbMenu,self.constraintTypeMenu,self.FuncMenu,self.NextBtn]:
item.Show(False)
item.Destroy()
self.Layout
constraintlbl = "Constraint Type: %s"%(self.CurrentConstraint['ConstraintType'])
Pdblbl = "PDB: %s"%(self.CurrentConstraint['PDB'])
funclbl = "Constraint Function: %s"%(self.CurrentConstraint["FuncType"])
Expand All @@ -218,6 +227,7 @@ def Next(self,event):
self.Sizer.Add(self.PdbTxt,(1,1),(1,1))
self.Sizer.Add(self.FuncTxt,(1,2),(1,1))
self.Layout()

self.Cancelables = [self.ConstraintTxt,self.PdbTxt,self.FuncTxt,self.CancelBtn]

#set poseindx
Expand All @@ -240,12 +250,14 @@ def Next(self,event):
self.Residue1Menu.SetSelection(0)
self.Sizer.Add(self.Residue1Menu,(2,0),(1,1))
self.Layout()

self.Cancelables.append(self.Residue1Menu)
#Atom 1
self.Atom1Menu = wx.ComboBox(self,-1,choices=['Select Atom 1'],style=wx.CB_READONLY)
self.Atom1Menu.SetSelection(0)
self.Sizer.Add(self.Atom1Menu,(2,1),(1,1))
self.Layout()

self.Cancelables.append(self.Atom1Menu)
#Residue 2
res2items = ['Select Residue 2']+self.getResidues()
Expand All @@ -254,12 +266,14 @@ def Next(self,event):
self.Residue2Menu.SetSelection(0)
self.Sizer.Add(self.Residue2Menu,(2,2),(1,1))
self.Layout()

self.Cancelables.append(self.Residue2Menu)
#Atom 2
self.Atom2Menu = wx.ComboBox(self,-1,choices=['Select Atom 2'],style=wx.CB_READONLY)
self.Atom2Menu.SetSelection(0)
self.Sizer.Add(self.Atom2Menu,(2,3),(1,1))
self.Layout()

self.Cancelables.append(self.Atom2Menu)

#Angle or Dihdedral
Expand All @@ -268,13 +282,15 @@ def Next(self,event):
self.Residue3Menu.SetSelection(0)
self.Sizer.Add(self.Residue3Menu,(3,0),(1,1))
self.Layout()

self.Cancelables.append(self.Residue3Menu)
self.Residue3Menu.Bind(wx.EVT_COMBOBOX,self.setAtom3Items)
#Atom 3
self.Atom3Menu = wx.ComboBox(self,-1,choices=['Select Atom 3'],style=wx.CB_READONLY)
self.Atom3Menu.SetSelection(0)
self.Sizer.Add(self.Atom3Menu,(3,1),(1,1))
self.Layout()

self.Cancelables.append(self.Atom3Menu)

#Dihedral only
Expand All @@ -284,13 +300,15 @@ def Next(self,event):
self.Residue4Menu.SetSelection(0)
self.Sizer.Add(self.Residue4Menu,(3,2),(1,1))
self.Layout()

self.Cancelables.append(self.Residue4Menu)
self.Residue4Menu.Bind(wx.EVT_COMBOBOX,self.setAtom4Items)
#Atom 4
self.Atom4Menu = wx.ComboBox(self,-1,choices=['Select Atom 4'],style=wx.CB_READONLY)
self.Atom4Menu.SetSelection(0)
self.Sizer.Add(self.Atom4Menu,(3,3),(1,1))
self.Layout()

self.Cancelables.append(self.Atom4Menu)

#Coordinate only
Expand All @@ -313,6 +331,7 @@ def Next(self,event):
self.Sizer.Add(self.zText,(3,4),(1,1))
self.Sizer.Add(self.zEntry,(3,5),(1,1))
self.Layout()

self.Cancelables+=[self.xText,self.xEntry,self.yText,self.yEntry,self.zText,self.zEntry]
#Function type stuff
if self.CurrentConstraint['FuncType'] in ['Harmonic','Circular Harmonic']:
Expand All @@ -334,6 +353,7 @@ def Next(self,event):
self.Sizer.Add(self.sdEntry,(4,4),(1,1))
self.Sizer.Add(self.FinalizeBtn,(5,0),(1,1))
self.Layout()

self.Cancelables.append(self.FinalizeBtn)
self.SetupScrolling()

Expand All @@ -347,6 +367,7 @@ def cancel(self,event=None):
self.Cancelables = []
self.CurrentConstraint = {}
self.Layout()

self.SetupScrolling()


Expand Down Expand Up @@ -475,7 +496,8 @@ def FinalizeConstraint(self,event):
constraintString += ' %s %s %s'%(functions[self.CurrentConstraint['FuncType']].strip(),self.x0Entry.GetValue().strip(),self.sdEntry.GetValue().strip())
# print constraintString
logInfo(constraintString)
self.ConstraintSet.append([self.CurrentConstraint['PDB'],self.CurrentConstraint['poseindx'],constraintString])
# self.ConstraintSet.append([self.CurrentConstraint['PDB'],self.CurrentConstraint['poseindx'],constraintString])
self.minPanel.ConstraintSet.append([self.CurrentConstraint['PDB'],self.CurrentConstraint['poseindx'],constraintString])
self.addToGrid("%s: %s"%(self.CurrentConstraint['PDB'],constraintString))
self.cancel()

Expand Down
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