def on_getgroup_button_clicked_handler(self, *arg): # print "sel",selection().encodeSimple() s = self.getStructure() sel = selection() if s is None: self.group_entry.set_text(sel.encodeSimple()) self.setFrom(None) else: self.group_entry.set_text(sel.encode(s)) self.setFrom(first(s, sel))
def initUI(self): self.view_box=self.xml.get_widget("view_box") self.model=DistanceTreeModel(self.getCurrentStructure(),selection()) self.treeview,self.treeviewscrolled=self.make_treeview(self.model,self.xml.get_widget("treeview")) self.view_box.add(self.treeviewscrolled) self.zmat_button=self.xml.get_widget("zmat_button") self.dist_button=self.xml.get_widget("dist_button") self.structureopt=self.xml.get_widget("structureopt") if self.zmat_button.get_active(): self.showtype=self.ZMAT_TYPE if self.dist_button.get_active(): self.showtype=self.DIST_TYPE self.updateSystem()
def on_tocms_button_clicked_handler(self, *arg): self.setTo(cms(self.getStructure(), selection())) self.updateV()
def on_toavg_button_clicked_handler(self, *arg): self.setTo(average(self.getStructure(), selection())) self.updateV()
def updateSystem(self,x=None): self.sel=selection() self.updateCoord() self.updateLabels()
def updateTable(self,x=None): if self.showtype==self.DIST_TYPE: self.showDistances(self.getCurrentStructure(),selection()) else: self.showZMat(self.getCurrentStructure(),selection())