Beispiel #1
0
 def _anotherDraw(self, layerColor):
     """
     The original way of selecting cookies, but do it layer by layer,
     so we can control how to display each layer.
     """
     if self.havelist:
         glCallList(self.displist.dl)
         return
     glNewList(self.displist.dl, GL_COMPILE_AND_EXECUTE)
     for layer in self.layeredCurves.keys():
         bbox = self.layeredCurves[layer][0]
         curves = self.layeredCurves[layer][1:]
         if not curves:
             continue
         color = layerColor[layer]
         for c in curves:
             c.draw()
         try:
             bblo, bbhi = bbox.data[1], bbox.data[0]
             allCells = genDiam(bblo - 1.6, bbhi + 1.6, self.latticeType)
             for cell in allCells:
                 for pp in cell:
                     p1 = p2 = None
                     if self.isin(pp[0], curves):
                         if self.isin(pp[1], curves):
                             p1 = pp[0]
                             p2 = pp[1]
                         else:
                             p1 = pp[0]
                             p2 = ((pp[1] + pp[0]) / 2, )
                     elif self.isin(pp[1], curves):
                         p1 = pp[1]
                         p2 = ((pp[1] + pp[0]) / 2, )
                     if p1 and p2:
                         self._cellDraw(color, p1, p2)
         except:
             # bruce 041028 -- protect against exceptions while making display
             # list, or OpenGL will be left in an unusable state (due to the lack
             # of a matching glEndList) in which any subsequent glNewList is an
             # invalid operation. (Also done in chem.py; see more comments there.)
             print_compact_traceback(
                 "bug: exception in shape.draw's displist; ignored: ")
     glEndList()
     self.havelist = 1  #
     return
Beispiel #2
0
 def _anotherDraw(self, layerColor):
     """
     The original way of selecting cookies, but do it layer by layer, 
     so we can control how to display each layer.
     """
     if self.havelist:
         glCallList(self.displist.dl)
         return
     glNewList(self.displist.dl, GL_COMPILE_AND_EXECUTE)
     for layer in self.layeredCurves.keys():
         bbox = self.layeredCurves[layer][0]
         curves = self.layeredCurves[layer][1:]
         if not curves:
             continue
         color = layerColor[layer]
         for c in curves:
             c.draw()
         try:
             bblo, bbhi = bbox.data[1], bbox.data[0]
             allCells = genDiam(bblo - 1.6, bbhi + 1.6, self.latticeType)
             for cell in allCells:
                 for pp in cell:
                     p1 = p2 = None
                     if self.isin(pp[0], curves):
                         if self.isin(pp[1], curves):
                             p1 = pp[0]
                             p2 = pp[1]
                         else:
                             p1 = pp[0]
                             p2 = ((pp[1] + pp[0]) / 2,)
                     elif self.isin(pp[1], curves):
                         p1 = pp[1]
                         p2 = ((pp[1] + pp[0]) / 2,)
                     if p1 and p2:
                         self._cellDraw(color, p1, p2)
         except:
             # bruce 041028 -- protect against exceptions while making display
             # list, or OpenGL will be left in an unusable state (due to the lack
             # of a matching glEndList) in which any subsequent glNewList is an
             # invalid operation. (Also done in chem.py; see more comments there.)
             print_compact_traceback("bug: exception in shape.draw's displist; ignored: ")
     glEndList()
     self.havelist = 1  #
     return
Beispiel #3
0
    def _cutCookie(self, layer, c):
        """
        For each user defined curve, cut the crystal for it, store carbon postion into a
        global dictionary, store the bond information into each layer.
        """
        self.havelist = 0

        bblo, bbhi = c.bbox.data[1], c.bbox.data[0]
        # Without +(-) 1.6, crystal for lonsdaileite may not be right
        allCells = genDiam(bblo - 1.6, bbhi + 1.6, self.latticeType)
        if self.carbonPosDict.has_key(layer):
            carbons = self.carbonPosDict[layer]
        else:
            carbons = {}

        if self.hedroPosDict.has_key(layer):
            hedrons = self.hedroPosDict[layer]
        else:
            hedrons = {}

        if c.selSense == SUBTRACT_FROM_SELECTION:
            markedAtoms = self.markedAtoms
            if not self.bondLayers or not self.bondLayers.has_key(layer):
                return
            else:
                bonds = self.bondLayers[layer]
                for cell in allCells:
                    for pp in cell:
                        ppInside = [False, False]
                        for ii in range(2):
                            if c.isin(pp[ii]):
                                ppInside[ii] = True
                        if ppInside[0] or ppInside[1]:
                            self._logic0Bond(carbons, bonds, markedAtoms, hedrons, ppInside, pp)
                self._removeMarkedAtoms(bonds, markedAtoms, carbons, hedrons)

        elif c.selSense == OUTSIDE_SUBTRACT_FROM_SELECTION:
            # & This differs from the standard selection scheme for Shift + Drag. mark 060211.
            # & This is marked for removal.  mark 060320.
            if not self.bondLayers or not self.bondLayers.has_key(layer):
                return
            bonds = self.bondLayers[layer]
            newBonds = {}
            newCarbons = {}
            newHedrons = {}
            insideAtoms = {}
            newStorage = (newBonds, newCarbons, newHedrons)
            for cell in allCells:
                for pp in cell:
                    pph = [None, None]
                    for ii in range(2):
                        if c.isin(pp[ii]):
                            pph[ii] = self._hashAtomPos(pp[ii])
                            if bonds.has_key(pph[ii]):
                                insideAtoms[pph[ii]] = pp[ii]

                    if (not pph[0]) and pph[1] and carbons.has_key(pph[1]):
                        pph[0] = self._hashAtomPos(pp[0])
                        if bonds.has_key(pph[0]):
                            newCarbons[pph[1]] = pp[1]
                            newHedrons[pph[0]] = pp[0]
                            if not newBonds.has_key(pph[0]):
                                newBonds[pph[0]] = [(pph[1], 1)]
                            else:
                                newBonds[pph[0]] += [(pph[1], 1)]
            if insideAtoms:
                self._logic2Bond(carbons, bonds, hedrons, insideAtoms, newStorage)
            bonds, carbons, hedrons = newStorage

        elif c.selSense == ADD_TO_SELECTION:
            if self.bondLayers.has_key(layer):
                bonds = self.bondLayers[layer]
            else:
                bonds = {}
            for cell in allCells:
                for pp in cell:
                    pph = [None, None]
                    ppInside = [False, False]
                    for ii in range(2):
                        pph[ii] = self._hashAtomPos(pp[ii])
                        if c.isin(pp[ii]):
                            ppInside[ii] = True
                    if ppInside[0] or ppInside[1]:
                        self._logic1Bond(carbons, hedrons, bonds, pp, pph, ppInside)

        elif c.selSense == START_NEW_SELECTION:
            # Added to make crystal cutter selection behavior
            # consistent when no modkeys pressed. mark 060320.
            carbons = {}
            bonds = {}
            hedrons = {}

            for cell in allCells:
                for pp in cell:
                    pph = [None, None]
                    ppInside = [False, False]
                    for ii in range(2):
                        pph[ii] = self._hashAtomPos(pp[ii])
                        if c.isin(pp[ii]):
                            ppInside[ii] = True
                    if ppInside[0] or ppInside[1]:
                        self._logic1Bond(carbons, hedrons, bonds, pp, pph, ppInside)

        self.bondLayers[layer] = bonds
        self.carbonPosDict[layer] = carbons
        self.hedroPosDict[layer] = hedrons

        # print "bonds", bonds
        self.havelist = 1
        return
Beispiel #4
0
    def _cutCookie(self, layer, c):
        """
        For each user defined curve, cut the crystal for it, store carbon postion into a
        global dictionary, store the bond information into each layer.
        """
        self.havelist = 0

        bblo, bbhi = c.bbox.data[1], c.bbox.data[0]
        #Without +(-) 1.6, crystal for lonsdaileite may not be right
        allCells = genDiam(bblo - 1.6, bbhi + 1.6, self.latticeType)
        if self.carbonPosDict.has_key(layer):
            carbons = self.carbonPosDict[layer]
        else:
            carbons = {}

        if self.hedroPosDict.has_key(layer):
            hedrons = self.hedroPosDict[layer]
        else:
            hedrons = {}

        if c.selSense == SUBTRACT_FROM_SELECTION:
            markedAtoms = self.markedAtoms
            if not self.bondLayers or not self.bondLayers.has_key(layer):
                return
            else:
                bonds = self.bondLayers[layer]
                for cell in allCells:
                    for pp in cell:
                        ppInside = [False, False]
                        for ii in range(2):
                            if c.isin(pp[ii]): 
                                ppInside[ii] = True
                        if ppInside[0] or ppInside[1]:
                            self._logic0Bond(carbons, bonds, markedAtoms, hedrons, ppInside, pp)
                self. _removeMarkedAtoms(bonds, markedAtoms, carbons, hedrons)

        elif c.selSense == OUTSIDE_SUBTRACT_FROM_SELECTION:
            #& This differs from the standard selection scheme for Shift + Drag. mark 060211.
            #& This is marked for removal.  mark 060320.
            if not self.bondLayers or not self.bondLayers.has_key(layer): 
                return
            bonds = self.bondLayers[layer]
            newBonds = {}; newCarbons = {}; newHedrons = {}; 
            insideAtoms = {}
            newStorage = (newBonds, newCarbons, newHedrons)
            for cell in allCells:
                for pp in cell:
                    pph = [None, None]
                    for ii in range(2):
                        if c.isin(pp[ii]): 
                            pph[ii] = self._hashAtomPos(pp[ii])
                            if bonds.has_key(pph[ii]):
                                insideAtoms[pph[ii]] = pp[ii]

                    if (not pph[0]) and pph[1] and carbons.has_key(pph[1]):
                        pph[0] = self._hashAtomPos(pp[0])
                        if bonds.has_key(pph[0]):
                            newCarbons[pph[1]] = pp[1]
                            newHedrons[pph[0]] = pp[0]
                            if not newBonds.has_key(pph[0]):
                                newBonds[pph[0]] = [(pph[1], 1)]
                            else:
                                newBonds[pph[0]] += [(pph[1], 1)]
            if insideAtoms:
                self._logic2Bond(carbons, bonds, hedrons, insideAtoms, newStorage)
            bonds, carbons, hedrons = newStorage

        elif c.selSense == ADD_TO_SELECTION:
            if self.bondLayers.has_key(layer):
                bonds = self.bondLayers[layer]
            else:
                bonds = {}
            for cell in allCells:
                for pp in cell:
                    pph=[None, None]
                    ppInside = [False, False]
                    for ii in range(2):
                        pph[ii] = self._hashAtomPos(pp[ii]) 
                        if c.isin(pp[ii]):
                            ppInside[ii] = True
                    if ppInside[0] or ppInside[1]:
                        self._logic1Bond(carbons, hedrons, bonds, pp, pph, ppInside)

        elif c.selSense == START_NEW_SELECTION: 
            # Added to make crystal cutter selection behavior 
            # consistent when no modkeys pressed. mark 060320.
            carbons = {}
            bonds = {}
            hedrons = {}

            for cell in allCells:
                for pp in cell:
                    pph = [None, None]
                    ppInside = [False, False]
                    for ii in range(2):
                        pph[ii] = self._hashAtomPos(pp[ii]) 
                        if c.isin(pp[ii]):
                            ppInside[ii] = True
                    if ppInside[0] or ppInside[1]:
                        self._logic1Bond(carbons, hedrons, bonds, pp, pph, ppInside)     

        self.bondLayers[layer] = bonds
        self.carbonPosDict[layer] = carbons
        self.hedroPosDict[layer] = hedrons

        #print "bonds", bonds   
        self.havelist = 1
        return