3939from . import GSASIIsasd as G2sasd
4040from . import G2shapes
4141from . import SUBGROUPS as kSUB
42- from . import k_vector_search as kvs
4342from GSASII .imports .G2phase_CIF import CIFPhaseReader as CIFpr
4443from . import GSASIIscriptable as G2sc
4544from . import GSASIImiscGUI as G2IO
4645try :
4746 from sympy import symbols , nsimplify , Rational as SRational
48- from k_vec_solve import k_vec_solve as kvsolve
4947except ImportError :
5048 G2fil .NeededPackage ({'ISODISTORT k-vector search' :['sympy' ]})
5149 symbols = None
@@ -4612,6 +4610,7 @@ def SeaResSelected(event=None):
46124610
46134611 Generates & plots reflections
46144612 '''
4613+ from . import k_vector_search as kvs
46154614 data = G2frame .GPXtree .GetItemPyData (UnitCellsId )
46164615 cells ,dminx = data [2 :4 ]
46174616 if event is None :
@@ -5206,6 +5205,7 @@ def _get_opt_val(opt_name, out):
52065205 def grab_all_kvecs (out_html ):
52075206 """Extract all k-vectors from the ISODISTORT output HTML."""
52085207 import re
5208+ from k_vec_solve import k_vec_solve as kvsolve
52095209
52105210 kvec1_pattern = r'<SELECT NAME="kvec1">(.*?)</SELECT>'
52115211 kvec1_match = re .search (kvec1_pattern , out_html , re .DOTALL )
@@ -5273,6 +5273,7 @@ def setup_kvec_input(k_vec, k_vec_dict, isocif_cif):
52735273 dict: New entries and those need to be corrected in the data
52745274 to be used in the post request.
52755275 """
5276+ from k_vec_solve import k_vec_solve as kvsolve
52765277 k_forms = k_vec_dict .items ()
52775278 all_keys = list (k_forms )
52785279
@@ -5298,9 +5299,14 @@ def setup_kvec_input(k_vec, k_vec_dict, isocif_cif):
52985299 G2G .G2MessageBox (G2frame ,
52995300 'Unable to perform ISODISTORT kvec search without the sympy module. Use Help/Add packages... to address' ,'No sympy' )
53005301 return
5302+ try :
5303+ import requests
5304+ except :
5305+ G2G .G2MessageBox (G2frame ,
5306+ 'Unable to perform ISODISTORT kvec search without the requests module. Use Help/Add packages... to address' ,'No requests' )
5307+ return
53015308 import tempfile
53025309 import re
5303- import requests
53045310 from GSASII .exports import G2export_CIF
53055311 from . import ISODISTORT as ISO
53065312 isoformsite = 'https://iso.byu.edu/isodistortform.php'
@@ -5422,7 +5428,7 @@ def setup_kvec_input(k_vec, k_vec_dict, isocif_cif):
54225428 isocif_out_cif = requests .post (isocifformsite , data = isocif_formDict ).text
54235429
54245430 kvec_dict = grab_all_kvecs (out2 )
5425- lat_sym = Phase ['General' ]['SGData' ]
5431+ # lat_sym = Phase['General']['SGData']
54265432 data_update = setup_kvec_input (kpoint , kvec_dict , isocif_out_cif )
54275433 for key , value in data_update .items ():
54285434 data [key ] = value
@@ -5461,13 +5467,13 @@ def setup_kvec_input(k_vec, k_vec_dict, isocif_cif):
54615467 resId = G2gd .GetGPXtreeItemId (G2frame , G2frame .root , 'Restraints' )
54625468 Restraints = G2frame .GPXtree .GetItemPyData (resId )
54635469 resId = G2gd .GetGPXtreeItemId (G2frame , resId , phsnam )
5464- savedRestraints = None
5470+ # savedRestraints = None
54655471 if phsnam in Restraints :
54665472 Restraints [phsnam ]['Bond' ]['Bonds' ] = []
54675473 Restraints [phsnam ]['Angle' ]['Angles' ] = []
5468- savedRestraints = Restraints [phsnam ]
5474+ # savedRestraints = Restraints[phsnam]
54695475 del Restraints [phsnam ]
5470- orgData = copy .deepcopy (data )
5476+ # orgData = copy.deepcopy(data)
54715477
54725478 for ir_opt , _ in ir_options :
54735479 print ("Processing irrep:" , ir_opt )
@@ -5697,6 +5703,7 @@ def kvecSizer():
56975703
56985704 def OnKvecSearch (event ):
56995705 'Run the k-vector search'
5706+ from . import k_vector_search as kvs
57005707
57015708 try :
57025709 import seekpath
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