Changeset 3165

Timestamp:

Nov 28, 2017 1:59:10 PM (4 years ago)

Author:

vondreele

Message:

fix import of ICDD str files with atom constraints

File:

• trunk/imports/G2phase.py (modified) (2 diffs)

trunk/imports/G2phase.py

@@ -673 +673 @@
             if 'site' in S[:7]:
                 atom = []
+                xyzkey = []
                 data = S.split()
                 atom.append(data[1])    #name
@@ -682 +683 @@
                         xpos = S.index(xid)+3
                         xend = xpos+S[xpos:].index(';')
-                        atom.append(eval(S[xpos:xend]+'.'))
+                        if S[xpos:xend] in xyzkey:
+                            atom.append(atom[3+xyzkey.index(S[xpos:xend])])
+                        else:
+                            atom.append(eval(S[xpos:xend]+'.'))
                     else:
                         xpos = data.index(xid[0])+2
+                        xyzkey.append(data[xpos-1][1:])
                         atom.append(float(data[xpos]))
                 atom.append(float(data[pos+2]))