Changeset 4615 for trunk

Timestamp:

Oct 21, 2020 9:08:35 PM (5 years ago)

Author:

toby

Message:

Add DrawAtoms_default config option to set default drawing type; add enumeration option for config vars

Location:

trunk

Files:

• GSASIIconstrGUI.py (modified) (1 diff)
• GSASIIctrlGUI.py (modified) (4 diffs)
• GSASIIobj.py (modified) (1 diff)
• GSASIIphsGUI.py (modified) (4 diffs)
• config_example.py (modified) (1 diff)

trunk/GSASIIconstrGUI.py ¶

@@ -260 +260 @@
     'Convert atom to format needed to draw it'
     generalData = data['General']
+    deftype = G2obj.validateAtomDrawType(
+        GSASIIpath.GetConfigValue('DrawAtoms_default'),generalData)
     if generalData['Type'] in ['nuclear','faulted',]:
-        atomInfo = [atom[:2]+atom[3:6]+['1',]+['vdW balls',]+
-                    ['',]+[[255,255,255],]+atom[9:]+[[],[]]][0]
+        atomInfo = [atom[:2]+atom[3:6]+['1']+[deftype]+
+                    ['']+[[255,255,255]]+atom[9:]+[[],[]]][0]
     ct,cs = [1,8]         #type & color
     atNum = generalData['AtomTypes'].index(atom[ct])

trunk/GSASIIctrlGUI.py ¶

@@ -5189 +5189 @@
         self.helpIndex = helpIndex
         self.wrap = wrap
+        self.msg = self.msg.replace(' & ',' && ')
     def _onClose(self,event):
         self.dlg.EndModal(wx.ID_CANCEL)
@@ -5652 +5653 @@
         self.sizer.Add(label, 0, wx.ALIGN_CENTRE|wx.ALL, 5)
         self.choice = {}
-        btn = G2ChoiceButton(self, sorted(self.vars.keys(),key=lambda s: s.lower()),
+        choices = sorted([k for k in self.vars if not k.startswith('enum_')],
+                         key=lambda s: s.lower())
+        btn = G2ChoiceButton(self, choices,
             strLoc=self.choice,strKey=0,onChoice=self.OnSelection)
         btn.SetLabel("")
@@ -5755 +5758 @@
         if var not in self.vars:
             raise Exception("How did this happen?")
-        if type(self.vars[var][0]) is int:
+        if 'enum_'+var in self.vars:
+            choices = self.vars['enum_'+var][0]
+            self.colSel = EnumSelector(self,self.vars[var],1,choices,
+                                               OnChange=self.OnChange)       
+            self.varsizer.Add(self.colSel, 0, wx.ALIGN_CENTRE|wx.ALL, 5)
+        elif type(self.vars[var][0]) is int:
             ed = ValidatedTxtCtrl(self,self.vars[var],1,typeHint=int,OKcontrol=self.OnChange)
             self.varsizer.Add(ed, 0, wx.ALIGN_CENTRE|wx.ALL, 5)
@@ -5829 +5837 @@
         self.varsizer.Add(self.resetBtn, 0, wx.ALIGN_CENTRE|wx.ALL, 5)
         # show meaning, if defined
-        self.doclbl.SetLabel("Description of "+str(var)) 
-        if self.vars[var][3]:
-            self.docinfo.SetLabel(self.vars[var][3])
+        self.doclbl.SetLabel("Description of "+str(var))
+        vartxt = self.vars[var][3]
+        vartxt = StripIndents(vartxt.replace(' & ',' && '),True)
+        if vartxt:
+            self.docinfo.SetLabel(vartxt)
         else:
             self.docinfo.SetLabel("(not documented)")
+        self.docinfo.Wrap(500)
         self.sizer.Fit(self)
         self.CenterOnParent()

trunk/GSASIIobj.py ¶

@@ -3270 +3270 @@
 #%%
 
+def validateAtomDrawType(typ,generalData={}):
+    '''Confirm that the selected Atom drawing type is valid for the current 
+    phase. If not, use 'vdW balls'. This is currently used only for setting a 
+    default when atoms are added to the atoms draw list.
+    '''
+    if typ in ('lines','vdW balls','sticks','balls & sticks','ellipsoids'):
+        return typ
+    elif generalData.get('Type','') == 'macromolecular':
+        if typ in ('backbone','ribbons','schematic'):
+            return typ
+    elif typ == 'polyhedra':
+        return 'polyhedra'
+    return 'vdW balls'
+
 if __name__ == "__main__":
     # test variable descriptions

trunk/GSASIIphsGUI.py ¶

@@ -1119 +1119 @@
     Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7])
     SGData = generalData['SGData']
+    deftype = G2obj.validateAtomDrawType(
+        GSASIIpath.GetConfigValue('DrawAtoms_default'),generalData)
     if generalData['Type'] in ['nuclear','faulted',]:
         if oldatom:
@@ -1129 +1131 @@
                 atomInfo = [atom[:2]+list(X)+oldatom[5:9]+atom[9:]+oldatom[17:]][0]
         else:
-            atomInfo = [atom[:2]+atom[3:6]+['1',]+['vdW balls',]+
+            atomInfo = [atom[:2]+atom[3:6]+['1',]+[deftype]+
                 ['',]+[[255,255,255],]+atom[9:]+[[],[]]][0]
         ct,cs = [1,8]         #type & color
@@ -1148 +1150 @@
                 atomInfo = [atom[:2]+list(X)+list(Mom)+oldatom[8:12]+atom[12:]+oldatom[20:]][0]
         else:
-            atomInfo = [atom[:2]+atom[3:6]+atom[7:10]+['1',]+['vdW balls',]+
+            atomInfo = [atom[:2]+atom[3:6]+atom[7:10]+['1',]+[deftype]+
                 ['',]+[[255,255,255],]+atom[12:]+[[],[]]][0]
         ct,cs = [1,11]         #type & color
@@ -1158 +1160 @@
         atomInfo = [[atom[1].strip()+atom[0],]+
             [AA1letter[oneLetter]+atom[0],]+atom[2:5]+
-            atom[6:9]+['1',]+['vdW balls',]+['',]+[[255,255,255],]+atom[12:]+[[],[]]][0]
+            atom[6:9]+['1',]+[deftype]+['',]+[[255,255,255],]+atom[12:]+[[],[]]][0]
         ct,cs = [4,11]         #type & color
     atNum = generalData['AtomTypes'].index(atom[ct])

trunk/config_example.py ¶

@@ -223 +223 @@
 newly-read images, but if changed the new value will be saved.
 '''
+
+enum_DrawAtoms_default = ['','lines','vdW balls','sticks','balls & sticks',
+       'ellipsoids','polyhedra','backbone','ribbons','schematic']
+'choices for DrawAtoms_default'
+DrawAtoms_default = ''
+'''Allows selection of the default plotting mode for structures
+in Draw Atoms. The only valid values are:
+'lines', 'vdW balls', 'sticks', 'balls & sticks', 'ellipsoids', 'polyhedra',
+'backbone', 'ribbons', 'schematic', where 'polyhedra' is invalid for 
+macromolecular phases and 'backbone', 'ribbons' & 'schematic' is invalid for
+non-macromolecular phases. %% If a non-valid choice is used (the default)
+'vdW balls' is used.
+'''
+