def obtainRefined(self, server, iphase):
"""Upload refined phase from PdfFit server instance.
server -- instance of PdfFit server
iphase -- index of this phase in server
"""
server.setphase(iphase)
if self.refined is None:
self.refined = PDFStructure(self.name)
self.refined.readStr(server.save_struct_string(iphase), 'pdffit')
return
def test_copy(self):
"""check FitStructure.copy()
"""
stru2 = self.stru.copy()
self.assertEqual('noname', stru2.name)
stru3 = Structure()
self.assertRaises(ControlTypeError, stru2.copy, stru3)
self.stru.refined = PDFStructure('refined-name')
stru4 = self.stru.copy()
self.assertIsNot(self.stru.refined, stru4.refined)
self.assertEqual('refined-name', stru4.refined.name)
return
def load(self, z, subpath):
"""Load structure from a zipped project file.
z -- zipped project file
subpath -- path to its own storage within project file
"""
#subpath = projname/fitname/structure/myname/
from diffpy.pdfgui.control.pdfguicontrol import CtrlUnpickler
subs = subpath.split('/')
rootDict = z.fileTree[subs[0]][subs[1]][subs[2]][subs[3]]
self.initial.readStr(z.read(subpath + 'initial'), 'pdffit')
# refined
if rootDict.has_key('refined'):
self.refined = PDFStructure(self.name)
self.refined.readStr(z.read(subpath + 'refined'), 'pdffit')
# constraints
if rootDict.has_key('constraints'):
self.constraints = CtrlUnpickler.loads(
z.read(subpath + 'constraints'))
translate = {
'gamma': 'delta1',
'delta': 'delta2',
'srat': 'sratio'
}
for old, new in translate.items():
if old in self.constraints:
self.constraints[new] = self.constraints.pop(old)
# selected_pairs
if rootDict.has_key("selected_pairs"):
self.selected_pairs = z.read(subpath + 'selected_pairs')
# sgoffset
if rootDict.has_key("sgoffset"):
sgoffsetstr = z.read(subpath + 'sgoffset')
sgoffset = [float(w) for w in sgoffsetstr.split()]
self.initial.pdffit['sgoffset'] = sgoffset
# custom_spacegroup
if rootDict.has_key("custom_spacegroup"):
bytes = z.read(subpath + 'custom_spacegroup')
self.custom_spacegroup = CtrlUnpickler.loads(bytes)
return
def setUp(self):
self.stru = PDFStructure('noname')
return
